| 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 | 85 | Confident | 90.3 | Very high | 10 Ų | 10 | 20.4 Ų | 20.4 | 5% | 0.049 | 10% | 0.095 | C | C | . | . | 0 | 147.3 | 0 | -171.4 | -179.2 | -69.1 | 0 | 0 | 111.3 | L5 V41 Y42 E44 L47 F140 | M1-L5 HydrophobicContact CE-CD1 4.39Å; M1-L5 HydrophobicContact CG-CD1 4.39Å; M1-L5 HydrophobicContact SD-CB 4.01Å; M1-L5 HydrophobicContact SD-CD1 3.62Å; M1-L5 HydrophobicContact SD-CG 4.42Å; M1-V41 CarbonylContact O-C 3.5Å; M1-V41 WeakPolarHBondContact O-CA 3.28Å; M1-Y42 PolarHBondContact N-O 3.1Å; M1-Y42 PolarHBondContact O-N 3.1Å; M1-E44 VanDerWaalsContact CA-OE1 3.22Å; M1-E44 WeakPolarHBondContact CA-OE1 3.06Å; M1-E44 PolarHBondContact N-OE1 3.33Å; M1-L47 HydrophobicContact CE-CB 4.5Å; M1-L47 HydrophobicContact CE-CD2 3.98Å; M1-L47 HydrophobicContact SD-CB 4.19Å; M1-L47 HydrophobicContact SD-CD2 3.47Å; M1-L47 WeakPolarHBondContact SD-CD2 3.41Å; M1-L47 HydrophobicContact SD-CG 4.48Å; M1-F140 HydrophobicContact CE-CE1 4.12Å; M1-F140 HydrophobicContact CE-CE2 4.19Å; M1-F140 HydrophobicContact CE-CZ 3.44Å; M1-F140 VanDerWaalsContact CE-CZ 3.44Å | |||
| 2 | Y | 88.9 | Confident | 90.7 | Very high | 30 Ų | 30 | 19.7 Ų | 19.7 | 12% | 0.118 | 9% | 0.092 | C | C | . | . | B | Isolated β-bridge | trans | -71 | 148.3 | 172.5 | -79.4 | -75.1 | 0 | 0 | 0 | 112.1 | L4 R39 K40 V41 Y111 K113 I114 | Y2-L4 PolarHBondContact O-N 3.33Å; Y2-R39 WeakPolarHBondContact CD1-O 3.33Å; Y2-R39 VanDerWaalsContact CE1-O 3.24Å; Y2-R39 WeakPolarHBondContact CE1-O 3.46Å; Y2-K40 WeakPolarHBondContact CA-O 3.47Å; Y2-V41 HydrophobicContact CD1-CG2 3.83Å; Y2-V41 HydrophobicContact CE1-CG2 3.52Å; Y2-V41 HydrophobicContact CE2-CG2 4.45Å; Y2-V41 HydrophobicContact CG-CG2 4.43Å; Y2-Y111 AromaticContact CD1-CD1 3.73Å; Y2-Y111 HydrophobicContact CD1-CD1 3.73Å; Y2-Y111 HydrophobicContact CD1-CE1 4.38Å; Y2-Y111 AromaticContact CD2-CD1 3.96Å; Y2-Y111 HydrophobicContact CD2-CD1 3.96Å; Y2-Y111 HydrophobicContact CD2-CG 4.36Å; Y2-Y111 AromaticContact CE1-CD1 3.95Å; Y2-Y111 HydrophobicContact CE1-CD1 3.95Å; Y2-Y111 HydrophobicContact CE2-CD1 4.19Å; Y2-Y111 HydrophobicContact CE2-CG 4.39Å; Y2-Y111 AromaticContact CG-CD1 3.73Å; Y2-Y111 HydrophobicContact CG-CD1 3.73Å; Y2-Y111 HydrophobicContact CG-CE1 4.44Å; Y2-K113 HydrophobicContact CE2-CB 4.24Å; Y2-K113 PolarHBondContact OH-N 2.78Å; Y2-K113 VanDerWaalsContact OH-N 3.1Å; Y2-I114 HydrophobicContact CE2-CB 4.31Å |
| 3 | G | 87.8 | Confident | 90.8 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -63.2 | -9.1 | -178 | 0 | 0 | 0 | 0 | 0 | 116 | L5 L6 E7 E37 T38 K40 | G3-L5 VanDerWaalsContact C-N 3.34Å; G3-L5 PolarHBondContact O-N 2.71Å; G3-L6 PolarHBondContact O-N 2.92Å; G3-E7 WeakPolarHBondContact O-CB 2.85Å; G3-E7 PolarHBondContact O-N 3.09Å; G3-E37 WeakPolarHBondContact CA-O 3.38Å; G3-T38 PolarHBondContact N-O 2.8Å; G3-K40 PolarHBondContact N-O 3.05Å |
| 4 | L | 89.9 | Confident | 90.9 | Very high | 28 Ų | 28 | 20.4 Ų | 20.4 | 15% | 0.147 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -57.6 | -43.4 | -179 | -174.7 | 66.8 | 0 | 0 | 0 | 113.1 | Y2 G8 T38 F73 Y76 | Y2-L4 PolarHBondContact O-N 3.33Å; L4-G8 PolarHBondContact O-N 3.04Å; L4-T38 HydrophobicContact CD1-CG2 4.05Å; L4-T38 PolarHBondContact N-O 2.98Å; L4-F73 HydrophobicContact CD2-CZ 4.32Å; L4-F73 HydrophobicContact CG-CE2 4.48Å; L4-F73 HydrophobicContact CG-CZ 4.13Å; L4-Y76 HydrophobicContact CD1-CE1 3.86Å |
| 5 | L | 90.1 | Very high | 90.9 | Very high | 32 Ų | 32 | 25.5 Ų | 25.5 | 17% | 0.168 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -73.4 | -36.9 | 177.3 | -72.3 | 171.4 | 0 | 0 | 0 | 111.8 | M1 G3 G8 L9 L47 M69 F73 F140 F143 | M1-L5 HydrophobicContact CE-CD1 4.39Å; M1-L5 HydrophobicContact CG-CD1 4.39Å; M1-L5 HydrophobicContact SD-CB 4.01Å; M1-L5 HydrophobicContact SD-CD1 3.62Å; M1-L5 HydrophobicContact SD-CG 4.42Å; G3-L5 VanDerWaalsContact C-N 3.34Å; G3-L5 PolarHBondContact O-N 2.71Å; L5-G8 PolarHBondContact O-N 3.09Å; L5-L9 PolarHBondContact O-N 3.49Å; L5-L47 HydrophobicContact CB-CD2 3.93Å; L5-L47 HydrophobicContact CD1-CD2 4.45Å; L5-M69 HydrophobicContact CB-CE 4.28Å; L5-M69 HydrophobicContact CD2-CE 4.13Å; L5-M69 WeakPolarHBondContact O-CE 3.23Å; L5-F73 HydrophobicContact CD2-CE1 4.25Å; L5-F73 HydrophobicContact CD2-CE2 3.99Å; L5-F73 HydrophobicContact CD2-CZ 3.77Å; L5-F140 HydrophobicContact CD1-CE1 4.26Å; L5-F143 HydrophobicContact CD2-CE1 4.04Å; L5-F143 HydrophobicContact CD2-CE2 4.3Å; L5-F143 HydrophobicContact CD2-CZ 3.65Å |
| 6 | L | 91.9 | Very high | 90.9 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.5 | -44.3 | 176.8 | -69.2 | 166.8 | 0 | 0 | 0 | 111.5 | G3 G8 L9 R10 F36 Y42 L46 L47 L50 | G3-L6 PolarHBondContact O-N 2.92Å; L6-G8 VanDerWaalsContact C-N 3.3Å; L6-G8 PolarHBondContact O-N 3Å; L6-L9 WeakPolarHBondContact O-CB 3.48Å; L6-L9 PolarHBondContact O-N 3.44Å; L6-R10 PolarHBondContact O-N 3.18Å; L6-F36 HydrophobicContact CB-CB 4.02Å; L6-F36 HydrophobicContact CB-CD1 4.37Å; L6-F36 HydrophobicContact CB-CD2 3.46Å; L6-F36 VanDerWaalsContact CB-CD2 3.46Å; L6-F36 HydrophobicContact CB-CE2 3.87Å; L6-F36 HydrophobicContact CB-CG 3.7Å; L6-F36 HydrophobicContact CD1-CD1 4.07Å; L6-F36 HydrophobicContact CD1-CE1 4.27Å; L6-F36 HydrophobicContact CD1-CG 4.21Å; L6-F36 HydrophobicContact CD2-CE2 4.37Å; L6-F36 HydrophobicContact CD2-CZ 4.48Å; L6-F36 HydrophobicContact CG-CD2 4.47Å; L6-Y42 HydrophobicContact CD1-CD1 4.31Å; L6-Y42 HydrophobicContact CD1-CD2 3.58Å; L6-Y42 HydrophobicContact CD1-CE2 4.25Å; L6-Y42 HydrophobicContact CD1-CG 3.61Å; L6-L46 HydrophobicContact CD1-CD2 3.88Å; L6-L46 HydrophobicContact CD2-CD2 4.17Å; L6-L46 HydrophobicContact CD2-CG 4.11Å; L6-L47 HydrophobicContact CD2-CB 3.79Å; L6-L47 HydrophobicContact CD2-CD1 3.94Å; L6-L47 HydrophobicContact CD2-CG 4.41Å; L6-L50 HydrophobicContact CD2-CD1 3.5Å |
| 7 | E | 91.4 | Very high | 90.9 | Very high | 11 Ų | 11 | 34.5 Ų | 34.5 | 5% | 0.051 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -69.4 | -30 | 175.3 | -168.3 | 61.8 | -158.1 | 0 | 0 | 111.8 | G3 R10 N11 F36 Y76 | G3-E7 WeakPolarHBondContact O-CB 2.85Å; G3-E7 PolarHBondContact O-N 3.09Å; E7-R10 WeakPolarHBondContact O-CB 3.47Å; E7-R10 PolarHBondContact O-N 3.42Å; E7-R10 IonicContact OE1-CZ 2.8Å; E7-R10 IonicContact OE1-NE 2.72Å; E7-R10 IonicContact OE1-NH1 3.33Å; E7-R10 PolarHBondContact OE1-NH1 2.78Å; E7-R10 WeakPolarHBondContact OE2-CD 3.47Å; E7-N11 WeakPolarHBondContact O-CB 3.45Å; E7-N11 PolarHBondContact O-N 2.83Å; E7-F36 PolarHBondContact OE2-N 3.16Å; E7-Y76 WeakPolarHBondContact CB-OH 3.36Å; E7-Y76 HydrophobicContact CG-CE2 4.17Å; E7-Y76 WeakPolarHBondContact CG-OH 3.43Å |
| 8 | G | 90.8 | Very high | 90.9 | Very high | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.8 | -43.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L4 L5 L6 N11 F12 | L4-G8 PolarHBondContact O-N 3.04Å; L5-G8 PolarHBondContact O-N 3.09Å; L6-G8 VanDerWaalsContact C-N 3.3Å; L6-G8 PolarHBondContact O-N 3Å; G8-N11 PolarHBondContact O-N 3.09Å; G8-F12 WeakPolarHBondContact O-CB 3.37Å; G8-F12 PolarHBondContact O-N 2.87Å |
| 9 | L | 93.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.3 | -45.1 | 174.6 | 178.4 | 60.5 | 0 | 0 | 0 | 110.9 | L5 L6 N11 F12 I13 W22 L47 L50 F51 I65 M69 | L5-L9 PolarHBondContact O-N 3.49Å; L6-L9 WeakPolarHBondContact O-CB 3.48Å; L6-L9 PolarHBondContact O-N 3.44Å; L9-N11 PolarHBondContact O-N 3.2Å; L9-F12 HydrophobicContact CD1-CD1 4.27Å; L9-F12 WeakPolarHBondContact O-CB 3.3Å; L9-F12 PolarHBondContact O-N 2.85Å; L9-I13 HydrophobicContact CD1-CD1 3.98Å; L9-I13 HydrophobicContact CD1-CG1 4.03Å; L9-I13 HydrophobicContact CG-CD1 4.28Å; L9-I13 HydrophobicContact CG-CG1 4.49Å; L9-I13 WeakPolarHBondContact O-CG1 3.15Å; L9-I13 PolarHBondContact O-N 2.84Å; L9-W22 HydrophobicContact CD2-CZ3 4.31Å; L9-W22 HydrophobicContact CG-CZ3 4.1Å; L9-L47 HydrophobicContact CB-CD1 4.27Å; L9-L47 HydrophobicContact CD2-CD1 3.67Å; L9-L50 HydrophobicContact CD2-CB 3.79Å; L9-L50 HydrophobicContact CD2-CD1 4.39Å; L9-F51 HydrophobicContact CD1-CD1 4.23Å; L9-F51 HydrophobicContact CD1-CE1 3.79Å; L9-F51 HydrophobicContact CD2-CD1 4.3Å; L9-F51 HydrophobicContact CD2-CE1 4.25Å; L9-I65 HydrophobicContact CD1-CG2 4.49Å; L9-M69 HydrophobicContact CB-CE 4.08Å; L9-M69 HydrophobicContact CB-SD 3.78Å; L9-M69 HydrophobicContact CD1-CG 4.44Å; L9-M69 HydrophobicContact CD1-SD 3.96Å; L9-M69 HydrophobicContact CG-SD 4.42Å |
| 10 | R | 92.6 | Very high | 90.9 | Very high | 59 Ų | 59 | 39.7 Ų | 39.7 | 22% | 0.223 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -54.8 | -52.1 | 174.3 | 175.7 | 175.9 | 175.6 | -78 | -11.6 | 111.5 | L6 E7 F12 I13 I14 W22 I34 | L6-R10 PolarHBondContact O-N 3.18Å; E7-R10 WeakPolarHBondContact O-CB 3.47Å; E7-R10 PolarHBondContact O-N 3.42Å; E7-R10 IonicContact OE1-CZ 2.8Å; E7-R10 IonicContact OE1-NE 2.72Å; E7-R10 IonicContact OE1-NH1 3.33Å; E7-R10 PolarHBondContact OE1-NH1 2.78Å; E7-R10 WeakPolarHBondContact OE2-CD 3.47Å; R10-F12 VanDerWaalsContact C-N 3.3Å; R10-F12 PolarHBondContact O-N 2.9Å; R10-I13 PolarHBondContact O-N 2.78Å; R10-I14 HydrophobicContact CG-CD1 3.6Å; R10-I14 HydrophobicContact CG-CG1 4.35Å; R10-I14 VanDerWaalsContact CZ-CD1 3.48Å; R10-I14 WeakPolarHBondContact O-CB 3.34Å; R10-I14 VanDerWaalsContact O-CG1 3.28Å; R10-I14 WeakPolarHBondContact O-CG1 3.39Å; R10-I14 PolarHBondContact O-N 2.76Å; R10-W22 HydrophobicContact CB-CD2 4.11Å; R10-W22 HydrophobicContact CB-CE3 4.4Å; R10-W22 HydrophobicContact CB-CH2 3.86Å; R10-W22 HydrophobicContact CB-CZ2 3.52Å; R10-W22 HydrophobicContact CB-CZ3 4.3Å; R10-W22 HydrophobicContact CG-CD2 3.95Å; R10-W22 HydrophobicContact CG-CG 4.19Å; R10-W22 HydrophobicContact CG-CZ2 3.88Å; R10-I34 WeakPolarHBondContact CD-O 3.4Å; R10-I34 PolarHBondContact NE-O 3.3Å |
| 11 | N | 92.1 | Very high | 90.9 | Very high | 52 Ų | 52 | 40.2 Ų | 40.2 | 28% | 0.278 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -59.9 | -42.5 | -179.5 | -177.5 | -96 | 0 | 0 | 0 | 111.3 | E7 G8 L9 T15 Y76 | E7-N11 WeakPolarHBondContact O-CB 3.45Å; E7-N11 PolarHBondContact O-N 2.83Å; G8-N11 PolarHBondContact O-N 3.09Å; L9-N11 PolarHBondContact O-N 3.2Å; N11-T15 VanDerWaalsContact O-CB 3.26Å; N11-T15 WeakPolarHBondContact O-CB 3.48Å; N11-T15 PolarHBondContact O-N 3.29Å; N11-T15 PolarHBondContact O-OG1 2.83Å; N11-Y76 HydrophobicContact CB-CD2 3.91Å; N11-Y76 HydrophobicContact CB-CE2 4.35Å |
| 12 | F | 94.6 | Very high | 91.3 | Very high | 12 Ų | 12 | 39.8 Ų | 39.8 | 5% | 0.053 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.2 | -49.6 | 175 | 170.9 | -116 | 0 | 0 | 0 | 112.3 | G8 L9 R10 T15 K16 W17 I65 G68 M69 | G8-F12 WeakPolarHBondContact O-CB 3.37Å; G8-F12 PolarHBondContact O-N 2.87Å; L9-F12 HydrophobicContact CD1-CD1 4.27Å; L9-F12 WeakPolarHBondContact O-CB 3.3Å; L9-F12 PolarHBondContact O-N 2.85Å; R10-F12 VanDerWaalsContact C-N 3.3Å; R10-F12 PolarHBondContact O-N 2.9Å; F12-T15 PolarHBondContact O-N 2.8Å; F12-K16 HydrophobicContact CE2-CB 4.37Å; F12-K16 HydrophobicContact CE2-CD 3.77Å; F12-K16 HydrophobicContact CZ-CD 3.81Å; F12-K16 WeakPolarHBondContact O-CB 3.47Å; F12-K16 PolarHBondContact O-N 2.83Å; F12-W17 HydrophobicContact CD1-CZ3 4.19Å; F12-W17 AromaticContact CE1-CH2 3.94Å; F12-W17 HydrophobicContact CE1-CH2 3.94Å; F12-W17 AromaticContact CE1-CZ3 3.61Å; F12-W17 HydrophobicContact CE1-CZ3 3.61Å; F12-W17 AromaticContact CZ-CH2 3.96Å; F12-W17 HydrophobicContact CZ-CH2 3.96Å; F12-W17 AromaticContact CZ-CZ3 3.82Å; F12-W17 HydrophobicContact CZ-CZ3 3.82Å; F12-I65 HydrophobicContact CE1-CG2 4.17Å; F12-G68 WeakPolarHBondContact CE2-O 3.31Å; F12-M69 HydrophobicContact CB-CB 4.47Å; F12-M69 HydrophobicContact CB-CG 4.43Å; F12-M69 HydrophobicContact CD1-CB 3.9Å; F12-M69 HydrophobicContact CE1-CB 4.34Å; F12-M69 HydrophobicContact CG-CB 4.16Å |
| 13 | I | 92.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.6 | -42.8 | -177.3 | -67.9 | -165.7 | 0 | 0 | 0 | 111.6 | L9 R10 T15 W17 S18 I21 W22 I25 S54 | L9-I13 HydrophobicContact CD1-CD1 3.98Å; L9-I13 HydrophobicContact CD1-CG1 4.03Å; L9-I13 HydrophobicContact CG-CD1 4.28Å; L9-I13 HydrophobicContact CG-CG1 4.49Å; L9-I13 WeakPolarHBondContact O-CG1 3.15Å; L9-I13 PolarHBondContact O-N 2.84Å; R10-I13 PolarHBondContact O-N 2.78Å; I13-T15 VanDerWaalsContact C-N 3.34Å; I13-T15 PolarHBondContact O-N 2.81Å; I13-W17 HydrophobicContact CB-CE3 4.4Å; I13-W17 HydrophobicContact CG1-CE3 4.38Å; I13-W17 HydrophobicContact CG1-CZ3 4.25Å; I13-W17 HydrophobicContact CG2-CE3 4.3Å; I13-W17 WeakPolarHBondContact O-CA 3.49Å; I13-W17 WeakPolarHBondContact O-CB 3.43Å; I13-W17 PolarHBondContact O-N 3.02Å; I13-S18 PolarHBondContact O-N 2.84Å; I13-I21 HydrophobicContact CG2-CG2 3.97Å; I13-W22 HydrophobicContact CB-CE3 4.19Å; I13-W22 HydrophobicContact CD1-CE3 4.12Å; I13-W22 HydrophobicContact CD1-CZ3 4.34Å; I13-W22 HydrophobicContact CG2-CB 4.08Å; I13-W22 HydrophobicContact CG2-CE3 4.35Å; I13-I25 HydrophobicContact CD1-CD1 3.47Å; I13-I25 VanDerWaalsContact CD1-CD1 3.47Å; I13-I25 HydrophobicContact CG2-CD1 4.13Å; I13-S54 WeakPolarHBondContact CD1-OG 3.39Å |
| 14 | I | 92.2 | Very high | 91.5 | Very high | 50 Ų | 50 | 46 Ų | 46 | 26% | 0.256 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -64.5 | -40.8 | 178.2 | -67.8 | 175.3 | 0 | 0 | 0 | 111.1 | R10 W22 | R10-I14 HydrophobicContact CG-CD1 3.6Å; R10-I14 HydrophobicContact CG-CG1 4.35Å; R10-I14 VanDerWaalsContact CZ-CD1 3.48Å; R10-I14 WeakPolarHBondContact O-CB 3.34Å; R10-I14 VanDerWaalsContact O-CG1 3.28Å; R10-I14 WeakPolarHBondContact O-CG1 3.39Å; R10-I14 PolarHBondContact O-N 2.76Å; I14-W22 HydrophobicContact CD1-CG 4.46Å; I14-W22 HydrophobicContact CG1-CB 4.03Å; I14-W22 HydrophobicContact CG1-CG 4.31Å |
| 15 | T | 90.6 | Very high | 91.6 | Very high | 97 Ų | 97 | 44.7 Ų | 44.7 | 60% | 0.595 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -72.2 | -37.9 | -176.6 | -55.3 | 0 | 0 | 0 | 0 | 112 | N11 F12 I13 | N11-T15 VanDerWaalsContact O-CB 3.26Å; N11-T15 WeakPolarHBondContact O-CB 3.48Å; N11-T15 PolarHBondContact O-N 3.29Å; N11-T15 PolarHBondContact O-OG1 2.83Å; F12-T15 PolarHBondContact O-N 2.8Å; I13-T15 VanDerWaalsContact C-N 3.34Å; I13-T15 PolarHBondContact O-N 2.81Å |
| 16 | K | 90.5 | Very high | 91.6 | Very high | 127 Ų | 127 | 43.3 Ų | 43.3 | 55% | 0.552 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -89 | -32.3 | -176.5 | -176.2 | 170.3 | 175.4 | -174.8 | 0 | 113.5 | F12 | F12-K16 HydrophobicContact CE2-CB 4.37Å; F12-K16 HydrophobicContact CE2-CD 3.77Å; F12-K16 HydrophobicContact CZ-CD 3.81Å; F12-K16 WeakPolarHBondContact O-CB 3.47Å; F12-K16 PolarHBondContact O-N 2.83Å |
| 17 | W | 91.2 | Very high | 91.4 | Very high | 77 Ų | 77 | 47.3 Ų | 47.3 | 29% | 0.292 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -118.3 | -97.6 | 178.7 | -63.7 | -90.1 | 0 | 0 | 0 | 110.3 | F12 I13 I21 L58 | F12-W17 HydrophobicContact CD1-CZ3 4.19Å; F12-W17 AromaticContact CE1-CH2 3.94Å; F12-W17 HydrophobicContact CE1-CH2 3.94Å; F12-W17 AromaticContact CE1-CZ3 3.61Å; F12-W17 HydrophobicContact CE1-CZ3 3.61Å; F12-W17 AromaticContact CZ-CH2 3.96Å; F12-W17 HydrophobicContact CZ-CH2 3.96Å; F12-W17 AromaticContact CZ-CZ3 3.82Å; F12-W17 HydrophobicContact CZ-CZ3 3.82Å; I13-W17 HydrophobicContact CB-CE3 4.4Å; I13-W17 HydrophobicContact CG1-CE3 4.38Å; I13-W17 HydrophobicContact CG1-CZ3 4.25Å; I13-W17 HydrophobicContact CG2-CE3 4.3Å; I13-W17 WeakPolarHBondContact O-CA 3.49Å; I13-W17 WeakPolarHBondContact O-CB 3.43Å; I13-W17 PolarHBondContact O-N 3.02Å; W17-I21 HydrophobicContact CB-CD1 3.69Å; W17-I21 HydrophobicContact CB-CG2 4.41Å; W17-I21 HydrophobicContact CG-CD1 4.28Å; W17-L58 HydrophobicContact CD2-CD1 4.14Å; W17-L58 HydrophobicContact CD2-CD2 4.02Å; W17-L58 HydrophobicContact CE3-CD1 4.15Å; W17-L58 HydrophobicContact CG-CD2 4.06Å; W17-L58 HydrophobicContact CH2-CD1 3.72Å; W17-L58 HydrophobicContact CZ2-CB 4.48Å; W17-L58 HydrophobicContact CZ2-CD1 3.72Å; W17-L58 HydrophobicContact CZ2-CD2 4.42Å; W17-L58 HydrophobicContact CZ2-CG 4.44Å; W17-L58 HydrophobicContact CZ3-CD1 3.95Å |
| 18 | S | 91.1 | Very high | 91.3 | Very high | 29 Ų | 29 | 51.2 Ų | 51.2 | 20% | 0.203 | 26% | 0.259 | C | S | . | . | trans | -163.4 | 169.4 | -179.9 | 82.6 | 0 | 0 | 0 | 0 | 113.5 | I13 E20 I21 W22 | I13-S18 PolarHBondContact O-N 2.84Å; S18-E20 VanDerWaalsContact C-N 3.33Å; S18-E20 WeakPolarHBondContact CB-OE2 3.34Å; S18-E20 PolarHBondContact OG-N 2.66Å; S18-E20 PolarHBondContact OG-OE2 2.85Å; S18-I21 PolarHBondContact OG-N 2.92Å; S18-W22 PolarHBondContact O-N 3.36Å | ||
| 19 | S | 91 | Very high | 91.1 | Very high | 54 Ų | 54 | 51.7 Ų | 51.7 | 38% | 0.378 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63 | -36.1 | 172 | 32.7 | 0 | 0 | 0 | 0 | 113.3 | W22 I23 | S19-W22 PolarHBondContact O-N 2.68Å; S19-I23 WeakPolarHBondContact O-CG1 3.37Å; S19-I23 PolarHBondContact O-N 3.33Å; S19-I23 VanDerWaalsContact O-N 3.08Å |
| 20 | E | 90.7 | Very high | 90.6 | Very high | 124 Ų | 124 | 58.7 Ų | 58.7 | 58% | 0.579 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -67.2 | -42.6 | -176.2 | -58.3 | 68.8 | -133.4 | 0 | 0 | 110.5 | S18 W22 I23 E24 | S18-E20 VanDerWaalsContact C-N 3.33Å; S18-E20 WeakPolarHBondContact CB-OE2 3.34Å; S18-E20 PolarHBondContact OG-N 2.66Å; S18-E20 PolarHBondContact OG-OE2 2.85Å; E20-W22 VanDerWaalsContact C-N 3.32Å; E20-W22 PolarHBondContact O-N 2.82Å; E20-I23 PolarHBondContact O-N 3.41Å; E20-E24 PolarHBondContact O-N 3.26Å |
| 21 | I | 91.3 | Very high | 90 | Very high | 50 Ų | 50 | 56.7 Ų | 56.7 | 26% | 0.256 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.4 | -41.6 | 176.5 | -74.7 | 168.1 | 0 | 0 | 0 | 110.9 | I13 W17 S18 I23 E24 I25 L57 L58 | I13-I21 HydrophobicContact CG2-CG2 3.97Å; W17-I21 HydrophobicContact CB-CD1 3.69Å; W17-I21 HydrophobicContact CB-CG2 4.41Å; W17-I21 HydrophobicContact CG-CD1 4.28Å; S18-I21 PolarHBondContact OG-N 2.92Å; I21-I23 PolarHBondContact O-N 2.89Å; I21-E24 PolarHBondContact O-N 3.49Å; I21-I25 HydrophobicContact CG2-CD1 3.92Å; I21-I25 VanDerWaalsContact O-CG1 3.28Å; I21-I25 WeakPolarHBondContact O-CG1 3.36Å; I21-I25 PolarHBondContact O-N 3.46Å; I21-L57 HydrophobicContact CG2-CD2 4.19Å; I21-L58 HydrophobicContact CG2-CD2 3.75Å |
| 22 | W | 92.7 | Very high | 89.2 | Confident | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.008 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.5 | -43.9 | 176.1 | 172.8 | -107.6 | 0 | 0 | 0 | 112.4 | L9 R10 I13 I14 S18 S19 E20 E24 I25 C26 I34 F36 L50 | L9-W22 HydrophobicContact CD2-CZ3 4.31Å; L9-W22 HydrophobicContact CG-CZ3 4.1Å; R10-W22 HydrophobicContact CB-CD2 4.11Å; R10-W22 HydrophobicContact CB-CE3 4.4Å; R10-W22 HydrophobicContact CB-CH2 3.86Å; R10-W22 HydrophobicContact CB-CZ2 3.52Å; R10-W22 HydrophobicContact CB-CZ3 4.3Å; R10-W22 HydrophobicContact CG-CD2 3.95Å; R10-W22 HydrophobicContact CG-CG 4.19Å; R10-W22 HydrophobicContact CG-CZ2 3.88Å; I13-W22 HydrophobicContact CB-CE3 4.19Å; I13-W22 HydrophobicContact CD1-CE3 4.12Å; I13-W22 HydrophobicContact CD1-CZ3 4.34Å; I13-W22 HydrophobicContact CG2-CB 4.08Å; I13-W22 HydrophobicContact CG2-CE3 4.35Å; I14-W22 HydrophobicContact CD1-CG 4.46Å; I14-W22 HydrophobicContact CG1-CB 4.03Å; I14-W22 HydrophobicContact CG1-CG 4.31Å; S18-W22 PolarHBondContact O-N 3.36Å; S19-W22 PolarHBondContact O-N 2.68Å; E20-W22 VanDerWaalsContact C-N 3.32Å; E20-W22 PolarHBondContact O-N 2.82Å; W22-E24 VanDerWaalsContact C-N 3.32Å; W22-E24 PolarHBondContact O-N 3.2Å; W22-I25 PolarHBondContact O-N 3.46Å; W22-C26 WeakPolarHBondContact CZ2-SG 3.32Å; W22-C26 PolarHBondContact O-N 3.32Å; W22-C26 PolarHBondContact O-SG 3.3Å; W22-I34 PolarHBondContact NE1-O 2.76Å; W22-F36 AromaticContact CH2-CE2 3.76Å; W22-F36 HydrophobicContact CH2-CE2 3.76Å; W22-F36 HydrophobicContact CZ2-CD2 4.12Å; W22-F36 AromaticContact CZ2-CE2 3.49Å; W22-F36 HydrophobicContact CZ2-CE2 3.49Å; W22-F36 VanDerWaalsContact CZ2-CE2 3.49Å; W22-F36 HydrophobicContact CZ2-CZ 4.43Å; W22-L50 HydrophobicContact CH2-CD1 4.24Å |
| 23 | I | 90.8 | Very high | 88.5 | Confident | 75 Ų | 75 | 61.5 Ų | 61.5 | 39% | 0.385 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.5 | -41.3 | 177.2 | -66.3 | 164.1 | 0 | 0 | 0 | 110.6 | S19 E20 I21 C26 T27 I34 | S19-I23 WeakPolarHBondContact O-CG1 3.37Å; S19-I23 PolarHBondContact O-N 3.33Å; S19-I23 VanDerWaalsContact O-N 3.08Å; E20-I23 PolarHBondContact O-N 3.41Å; I21-I23 PolarHBondContact O-N 2.89Å; I23-C26 PolarHBondContact O-N 3.01Å; I23-T27 WeakPolarHBondContact O-CB 3.2Å; I23-T27 PolarHBondContact O-N 3.4Å; I23-T27 PolarHBondContact O-OG1 2.89Å; I23-I34 HydrophobicContact CG1-CD1 4.47Å; I23-I34 HydrophobicContact CG1-CG2 3.96Å; I23-I34 HydrophobicContact CG2-CD1 4.49Å |
| 24 | E | 90.4 | Very high | 87.9 | Confident | 86 Ų | 86 | 65.7 Ų | 65.7 | 40% | 0.402 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.6 | -43.8 | 176.4 | -174.7 | 58.5 | -150.1 | 0 | 0 | 111.5 | E20 I21 W22 C26 T27 Q28 L57 | E20-E24 PolarHBondContact O-N 3.26Å; I21-E24 PolarHBondContact O-N 3.49Å; W22-E24 VanDerWaalsContact C-N 3.32Å; W22-E24 PolarHBondContact O-N 3.2Å; E24-C26 PolarHBondContact O-N 3.43Å; E24-T27 PolarHBondContact O-N 2.92Å; E24-Q28 WeakPolarHBondContact O-CG 3.37Å; E24-Q28 PolarHBondContact O-N 2.89Å; E24-Q28 PolarHBondContact OE1-NE2 3.39Å; E24-L57 HydrophobicContact CB-CD2 4.15Å; E24-L57 HydrophobicContact CG-CD1 4.23Å; E24-L57 HydrophobicContact CG-CD2 3.92Å |
| 25 | I | 91 | Very high | 87.7 | Confident | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60.6 | -47.4 | 175.5 | -67.6 | 163.4 | 0 | 0 | 0 | 110.8 | I13 I21 W22 T27 Q28 A29 L50 I53 L57 | I13-I25 HydrophobicContact CD1-CD1 3.47Å; I13-I25 VanDerWaalsContact CD1-CD1 3.47Å; I13-I25 HydrophobicContact CG2-CD1 4.13Å; I21-I25 HydrophobicContact CG2-CD1 3.92Å; I21-I25 VanDerWaalsContact O-CG1 3.28Å; I21-I25 WeakPolarHBondContact O-CG1 3.36Å; I21-I25 PolarHBondContact O-N 3.46Å; W22-I25 PolarHBondContact O-N 3.46Å; I25-T27 VanDerWaalsContact C-N 3.28Å; I25-T27 PolarHBondContact O-N 2.97Å; I25-Q28 PolarHBondContact O-N 3.18Å; I25-A29 VanDerWaalsContact O-CB 3.22Å; I25-A29 WeakPolarHBondContact O-CB 3.34Å; I25-A29 PolarHBondContact O-N 3.39Å; I25-L50 HydrophobicContact CG2-CD2 3.8Å; I25-I53 HydrophobicContact CB-CG2 4.37Å; I25-I53 HydrophobicContact CG1-CG2 4.41Å; I25-I53 HydrophobicContact CG2-CB 4.44Å; I25-I53 HydrophobicContact CG2-CG2 4.03Å; I25-L57 HydrophobicContact CD1-CD2 4.2Å; I25-L57 HydrophobicContact CG1-CD2 3.52Å |
| 26 | C | 89.9 | Confident | 87.6 | Confident | 3 Ų | 3 | 65.2 Ų | 65.2 | 2% | 0.02 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.8 | -39.1 | 177.4 | -74.4 | 0 | 0 | 0 | 0 | 112.2 | W22 I23 E24 A29 N30 S31 | W22-C26 WeakPolarHBondContact CZ2-SG 3.32Å; W22-C26 PolarHBondContact O-N 3.32Å; W22-C26 PolarHBondContact O-SG 3.3Å; I23-C26 PolarHBondContact O-N 3.01Å; E24-C26 PolarHBondContact O-N 3.43Å; C26-A29 PolarHBondContact O-N 3.18Å; C26-N30 PolarHBondContact O-N 2.84Å; C26-S31 PolarHBondContact O-N 2.91Å |
| 27 | T | 89.3 | Confident | 87.4 | Confident | 84 Ų | 84 | 65 Ų | 65 | 52% | 0.515 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -66.7 | -48.5 | 179.7 | -55.8 | 0 | 0 | 0 | 0 | 110.7 | I23 E24 I25 A29 N30 | I23-T27 WeakPolarHBondContact O-CB 3.2Å; I23-T27 PolarHBondContact O-N 3.4Å; I23-T27 PolarHBondContact O-OG1 2.89Å; E24-T27 PolarHBondContact O-N 2.92Å; I25-T27 VanDerWaalsContact C-N 3.28Å; I25-T27 PolarHBondContact O-N 2.97Å; T27-A29 PolarHBondContact O-N 3.02Å; T27-N30 PolarHBondContact O-N 3.37Å; T27-N30 VanDerWaalsContact O-N 3.1Å |
| 28 | Q | 89.3 | Confident | 87.2 | Confident | 94 Ų | 94 | 63.2 Ų | 63.2 | 44% | 0.439 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.5 | -28.4 | 175.9 | -69.2 | -173 | 25.2 | 0 | 0 | 112.8 | E24 I25 N30 I53 | E24-Q28 WeakPolarHBondContact O-CG 3.37Å; E24-Q28 PolarHBondContact O-N 2.89Å; E24-Q28 PolarHBondContact OE1-NE2 3.39Å; I25-Q28 PolarHBondContact O-N 3.18Å; Q28-N30 PolarHBondContact O-N 3.07Å; Q28-I53 HydrophobicContact CB-CD1 4.41Å; Q28-I53 HydrophobicContact CB-CG2 3.82Å |
| 29 | A | 86 | Confident | 86.9 | Confident | 10 Ų | 10 | 70.3 Ų | 70.3 | 8% | 0.083 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -6.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | I25 C26 T27 S31 L50 I53 | I25-A29 VanDerWaalsContact O-CB 3.22Å; I25-A29 WeakPolarHBondContact O-CB 3.34Å; I25-A29 PolarHBondContact O-N 3.39Å; C26-A29 PolarHBondContact O-N 3.18Å; T27-A29 PolarHBondContact O-N 3.02Å; A29-S31 PolarHBondContact O-N 3.18Å; A29-L50 HydrophobicContact CB-CD2 3.65Å; A29-I53 HydrophobicContact CB-CD1 3.47Å; A29-I53 VanDerWaalsContact CB-CD1 3.47Å |
| 30 | N | 83 | Confident | 86.8 | Confident | 147 Ų | 147 | 71.5 Ų | 71.5 | 79% | 0.786 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | 37.5 | -166.8 | -66.9 | -40.3 | 0 | 0 | 0 | 112 | C26 T27 Q28 | C26-N30 PolarHBondContact O-N 2.84Å; T27-N30 PolarHBondContact O-N 3.37Å; T27-N30 VanDerWaalsContact O-N 3.1Å; Q28-N30 PolarHBondContact O-N 3.07Å |
| 31 | S | 80.6 | Confident | 86.6 | Confident | 18 Ų | 18 | 69.3 Ų | 69.3 | 13% | 0.126 | 35% | 0.352 | C | S | . | . | trans | -70.7 | 130 | 176.8 | -176.8 | 0 | 0 | 0 | 0 | 109.2 | C26 A29 E33 | C26-S31 PolarHBondContact O-N 2.91Å; A29-S31 PolarHBondContact O-N 3.18Å; S31-E33 PolarHBondContact O-N 2.92Å; S31-E33 PolarHBondContact OG-O 3.09Å | ||
| 32 | P | 74 | Confident | 86.5 | Confident | 115 Ų | 115 | 68 Ų | 68 | 75% | 0.747 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -67.7 | -20.3 | 178.7 | 27.9 | -34.7 | 0 | 0 | 0 | 112.7 | ||
| 33 | E | 79.5 | Confident | 86.4 | Confident | 50 Ų | 50 | 73.4 Ų | 73.4 | 23% | 0.234 | 37% | 0.373 | C | S | . | . | trans | -131.3 | 140.3 | -172.8 | -65.7 | 171.9 | -160.7 | 0 | 0 | 110.2 | S31 F36 K40 Y42 | S31-E33 PolarHBondContact O-N 2.92Å; S31-E33 PolarHBondContact OG-O 3.09Å; E33-F36 HydrophobicContact CB-CD1 4.41Å; E33-F36 HydrophobicContact CB-CE1 4.31Å; E33-K40 IonicContact OE1-NZ 2.64Å; E33-K40 PolarHBondContact OE1-NZ 2.83Å; E33-K40 IonicContact OE2-NZ 3.55Å; E33-Y42 WeakPolarHBondContact OE2-CE1 3.39Å; E33-Y42 PolarHBondContact OE2-OH 2.82Å | ||
| 34 | I | 81.3 | Confident | 86.2 | Confident | 87 Ų | 87 | 73.2 Ų | 73.2 | 45% | 0.446 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -92 | -21.8 | 174.4 | -58.2 | 169.2 | 0 | 0 | 0 | 110.5 | R10 W22 I23 | R10-I34 WeakPolarHBondContact CD-O 3.4Å; R10-I34 PolarHBondContact NE-O 3.3Å; W22-I34 PolarHBondContact NE1-O 2.76Å; I23-I34 HydrophobicContact CG1-CD1 4.47Å; I23-I34 HydrophobicContact CG1-CG2 3.96Å; I23-I34 HydrophobicContact CG2-CD1 4.49Å |
| 35 | Q | 86.5 | Confident | 86.2 | Confident | 131 Ų | 131 | 72 Ų | 72 | 61% | 0.612 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -125.2 | 137.4 | 176.7 | -175.8 | 175.3 | 19.3 | 0 | 0 | 108.7 | ||
| 36 | F | 88.4 | Confident | 86.1 | Confident | 6 Ų | 6 | 73 Ų | 73 | 3% | 0.026 | 38% | 0.38 | C | S | . | . | trans | -110.3 | 125.2 | -173.6 | -61 | -70.8 | 0 | 0 | 0 | 111.5 | L6 E7 W22 E33 T38 Y42 L46 L50 | L6-F36 HydrophobicContact CB-CB 4.02Å; L6-F36 HydrophobicContact CB-CD1 4.37Å; L6-F36 HydrophobicContact CB-CD2 3.46Å; L6-F36 VanDerWaalsContact CB-CD2 3.46Å; L6-F36 HydrophobicContact CB-CE2 3.87Å; L6-F36 HydrophobicContact CB-CG 3.7Å; L6-F36 HydrophobicContact CD1-CD1 4.07Å; L6-F36 HydrophobicContact CD1-CE1 4.27Å; L6-F36 HydrophobicContact CD1-CG 4.21Å; L6-F36 HydrophobicContact CD2-CE2 4.37Å; L6-F36 HydrophobicContact CD2-CZ 4.48Å; L6-F36 HydrophobicContact CG-CD2 4.47Å; E7-F36 PolarHBondContact OE2-N 3.16Å; W22-F36 AromaticContact CH2-CE2 3.76Å; W22-F36 HydrophobicContact CH2-CE2 3.76Å; W22-F36 HydrophobicContact CZ2-CD2 4.12Å; W22-F36 AromaticContact CZ2-CE2 3.49Å; W22-F36 HydrophobicContact CZ2-CE2 3.49Å; W22-F36 VanDerWaalsContact CZ2-CE2 3.49Å; W22-F36 HydrophobicContact CZ2-CZ 4.43Å; E33-F36 HydrophobicContact CB-CD1 4.41Å; E33-F36 HydrophobicContact CB-CE1 4.31Å; F36-T38 PolarHBondContact O-N 2.84Å; F36-Y42 WeakPolarHBondContact CA-OH 3.45Å; F36-Y42 HydrophobicContact CB-CE2 4.28Å; F36-Y42 HydrophobicContact CD1-CD1 4.09Å; F36-Y42 AromaticContact CD1-CE1 3.58Å; F36-Y42 HydrophobicContact CD1-CE1 3.58Å; F36-Y42 HydrophobicContact CD1-CE2 4.34Å; F36-Y42 AromaticContact CD1-CZ 3.71Å; F36-Y42 HydrophobicContact CE1-CD1 4.37Å; F36-Y42 HydrophobicContact CE1-CE1 4.18Å; F36-L46 HydrophobicContact CE1-CD2 3.91Å; F36-L46 HydrophobicContact CZ-CD2 4.2Å; F36-L50 HydrophobicContact CE2-CD1 4.3Å; F36-L50 HydrophobicContact CZ-CD1 4.25Å | ||
| 37 | E | 88.3 | Confident | 86.2 | Confident | 123 Ų | 123 | 73 Ų | 73 | 58% | 0.575 | 38% | 0.38 | S | S | * | . | trans | -64.5 | 121.6 | 168.4 | -68.3 | -176.8 | -110.7 | 0 | 0 | 111 | G3 R39 K40 Y42 | G3-E37 WeakPolarHBondContact CA-O 3.38Å; E37-R39 VanDerWaalsContact C-N 3.28Å; E37-R39 PolarHBondContact O-N 3.14Å; E37-K40 HydrophobicContact CB-CB 3.76Å; E37-K40 HydrophobicContact CB-CD 4.49Å; E37-K40 PolarHBondContact O-N 2.86Å; E37-K40 VanDerWaalsContact O-N 3.15Å; E37-Y42 PolarHBondContact N-OH 2.98Å; E37-Y42 WeakPolarHBondContact O-CE2 3.48Å | ||
| 38 | T | 86.2 | Confident | 86.3 | Confident | 39 Ų | 39 | 71.6 Ų | 71.6 | 24% | 0.239 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -34.2 | -174.1 | 56.5 | 0 | 0 | 0 | 0 | 113.7 | G3 L4 F36 | G3-T38 PolarHBondContact N-O 2.8Å; L4-T38 HydrophobicContact CD1-CG2 4.05Å; L4-T38 PolarHBondContact N-O 2.98Å; F36-T38 PolarHBondContact O-N 2.84Å |
| 39 | R | 85.3 | Confident | 86.4 | Confident | 179 Ų | 179 | 69.8 Ų | 69.8 | 68% | 0.675 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -5 | -178.5 | -64.2 | -177.1 | -176.2 | 173.3 | 1 | 114 | Y2 E37 Y111 | Y2-R39 WeakPolarHBondContact CD1-O 3.33Å; Y2-R39 VanDerWaalsContact CE1-O 3.24Å; Y2-R39 WeakPolarHBondContact CE1-O 3.46Å; E37-R39 VanDerWaalsContact C-N 3.28Å; E37-R39 PolarHBondContact O-N 3.14Å; R39-Y111 HydrophobicContact CG-CE1 4.12Å |
| 40 | K | 87.9 | Confident | 86.7 | Confident | 78 Ų | 78 | 69.3 Ų | 69.3 | 34% | 0.339 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -83.6 | 147.1 | 175.4 | -174.3 | 172.5 | 173.8 | -175.2 | 0 | 110.4 | Y2 G3 E33 E37 Y42 | Y2-K40 WeakPolarHBondContact CA-O 3.47Å; G3-K40 PolarHBondContact N-O 3.05Å; E33-K40 IonicContact OE1-NZ 2.64Å; E33-K40 PolarHBondContact OE1-NZ 2.83Å; E33-K40 IonicContact OE2-NZ 3.55Å; E37-K40 HydrophobicContact CB-CB 3.76Å; E37-K40 HydrophobicContact CB-CD 4.49Å; E37-K40 PolarHBondContact O-N 2.86Å; E37-K40 VanDerWaalsContact O-N 3.15Å; K40-Y42 HydrophobicContact CB-CE2 3.79Å; K40-Y42 HydrophobicContact CD-CE1 4.16Å; K40-Y42 HydrophobicContact CD-CE2 4.48Å; K40-Y42 HydrophobicContact CG-CE1 4.44Å; K40-Y42 HydrophobicContact CG-CE2 4.09Å; K40-Y42 WeakPolarHBondContact O-CD2 3.38Å; K40-Y42 WeakPolarHBondContact O-CE2 3.46Å |
| 41 | V | 87.3 | Confident | 87.2 | Confident | 79 Ų | 79 | 62.5 Ų | 62.5 | 48% | 0.479 | 33% | 0.325 | S | S | . | . | B | Isolated β-bridge | trans | -98.5 | 124.7 | 177.1 | -177.2 | 0 | 0 | 0 | 0 | 109 | M1 Y2 | M1-V41 CarbonylContact O-C 3.5Å; M1-V41 WeakPolarHBondContact O-CA 3.28Å; Y2-V41 HydrophobicContact CD1-CG2 3.83Å; Y2-V41 HydrophobicContact CE1-CG2 3.52Å; Y2-V41 HydrophobicContact CE2-CG2 4.45Å; Y2-V41 HydrophobicContact CG-CG2 4.43Å |
| 42 | Y | 89.8 | Confident | 87.8 | Confident | 23 Ų | 23 | 66.3 Ų | 66.3 | 9% | 0.09 | 34% | 0.341 | C | S | . | . | trans | -109 | 170 | 177.2 | -58.1 | -92.8 | 0 | 0 | 0 | 110.7 | M1 L6 E33 F36 E37 K40 L46 | M1-Y42 PolarHBondContact N-O 3.1Å; M1-Y42 PolarHBondContact O-N 3.1Å; L6-Y42 HydrophobicContact CD1-CD1 4.31Å; L6-Y42 HydrophobicContact CD1-CD2 3.58Å; L6-Y42 HydrophobicContact CD1-CE2 4.25Å; L6-Y42 HydrophobicContact CD1-CG 3.61Å; E33-Y42 WeakPolarHBondContact OE2-CE1 3.39Å; E33-Y42 PolarHBondContact OE2-OH 2.82Å; F36-Y42 WeakPolarHBondContact CA-OH 3.45Å; F36-Y42 HydrophobicContact CB-CE2 4.28Å; F36-Y42 HydrophobicContact CD1-CD1 4.09Å; F36-Y42 AromaticContact CD1-CE1 3.58Å; F36-Y42 HydrophobicContact CD1-CE1 3.58Å; F36-Y42 HydrophobicContact CD1-CE2 4.34Å; F36-Y42 AromaticContact CD1-CZ 3.71Å; F36-Y42 HydrophobicContact CE1-CD1 4.37Å; F36-Y42 HydrophobicContact CE1-CE1 4.18Å; E37-Y42 PolarHBondContact N-OH 2.98Å; E37-Y42 WeakPolarHBondContact O-CE2 3.48Å; K40-Y42 HydrophobicContact CB-CE2 3.79Å; K40-Y42 HydrophobicContact CD-CE1 4.16Å; K40-Y42 HydrophobicContact CD-CE2 4.48Å; K40-Y42 HydrophobicContact CG-CE1 4.44Å; K40-Y42 HydrophobicContact CG-CE2 4.09Å; K40-Y42 WeakPolarHBondContact O-CD2 3.38Å; K40-Y42 WeakPolarHBondContact O-CE2 3.46Å; Y42-L46 HydrophobicContact CD1-CD2 4.24Å; Y42-L46 HydrophobicContact CG-CD2 4.41Å | ||
| 43 | D | 89.3 | Confident | 88.6 | Confident | 115 Ų | 115 | 61.5 Ų | 61.5 | 62% | 0.615 | 31% | 0.309 | S | S | * | . | trans | -55.9 | 141 | 173.3 | -159.9 | -40.3 | 0 | 0 | 0 | 111.2 | A45 L46 | D43-A45 PolarHBondContact O-N 3.15Å; D43-A45 PolarHBondContact OD1-N 3.12Å; D43-L46 HydrophobicContact CB-CB 4.42Å; D43-L46 PolarHBondContact O-N 3.31Å | ||
| 44 | E | 87.5 | Confident | 89.2 | Confident | 70 Ų | 70 | 59.1 Ų | 59.1 | 33% | 0.327 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -24 | 175.1 | -68.8 | -72.4 | 153.1 | 0 | 0 | 112 | M1 P48 R137 | M1-E44 VanDerWaalsContact CA-OE1 3.22Å; M1-E44 WeakPolarHBondContact CA-OE1 3.06Å; M1-E44 PolarHBondContact N-OE1 3.33Å; E44-P48 WeakPolarHBondContact O-CD 3.35Å; E44-R137 IonicContact OE1-CZ 2.83Å; E44-R137 IonicContact OE1-NE 3.19Å; E44-R137 IonicContact OE1-NH2 3.93Å; E44-R137 PolarHBondContact OE1-NH2 3.46Å; E44-R137 IonicContact OE2-CZ 2.92Å; E44-R137 IonicContact OE2-NE 2.84Å; E44-R137 PolarHBondContact OE2-NE 3.15Å; E44-R137 IonicContact OE2-NH2 3.63Å; E44-R137 PolarHBondContact OE2-NH2 3.09Å |
| 45 | A | 88.8 | Confident | 89.8 | Confident | 60 Ų | 60 | 56.4 Ų | 56.4 | 50% | 0.496 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -17.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | D43 P48 N49 | D43-A45 PolarHBondContact O-N 3.15Å; D43-A45 PolarHBondContact OD1-N 3.12Å; A45-P48 WeakPolarHBondContact O-CD 3.43Å; A45-N49 WeakPolarHBondContact O-CB 3.31Å; A45-N49 PolarHBondContact O-N 3.33Å |
| 46 | L | 90.4 | Very high | 90.1 | Very high | 21 Ų | 21 | 57.2 Ų | 57.2 | 11% | 0.11 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.9 | -49 | -173.7 | -178.3 | 61.5 | 0 | 0 | 0 | 112.7 | L6 F36 Y42 D43 N49 L50 | L6-L46 HydrophobicContact CD1-CD2 3.88Å; L6-L46 HydrophobicContact CD2-CD2 4.17Å; L6-L46 HydrophobicContact CD2-CG 4.11Å; F36-L46 HydrophobicContact CE1-CD2 3.91Å; F36-L46 HydrophobicContact CZ-CD2 4.2Å; Y42-L46 HydrophobicContact CD1-CD2 4.24Å; Y42-L46 HydrophobicContact CG-CD2 4.41Å; D43-L46 HydrophobicContact CB-CB 4.42Å; D43-L46 PolarHBondContact O-N 3.31Å; L46-N49 PolarHBondContact O-N 3.2Å; L46-L50 HydrophobicContact CD1-CD1 4.38Å; L46-L50 HydrophobicContact CD1-CG 4.37Å; L46-L50 HydrophobicContact CG-CD1 4.15Å; L46-L50 VanDerWaalsContact O-CG 3.32Å; L46-L50 WeakPolarHBondContact O-CG 3.46Å; L46-L50 PolarHBondContact O-N 2.79Å |
| 47 | L | 91.5 | Very high | 90.2 | Very high | 3 Ų | 3 | 60.1 Ų | 60.1 | 2% | 0.016 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.2 | -46 | -178.8 | -179.5 | 62.6 | 0 | 0 | 0 | 112.5 | M1 L5 L6 L9 N49 L50 F51 F140 | M1-L47 HydrophobicContact CE-CB 4.5Å; M1-L47 HydrophobicContact CE-CD2 3.98Å; M1-L47 HydrophobicContact SD-CB 4.19Å; M1-L47 HydrophobicContact SD-CD2 3.47Å; M1-L47 WeakPolarHBondContact SD-CD2 3.41Å; M1-L47 HydrophobicContact SD-CG 4.48Å; L5-L47 HydrophobicContact CB-CD2 3.93Å; L5-L47 HydrophobicContact CD1-CD2 4.45Å; L6-L47 HydrophobicContact CD2-CB 3.79Å; L6-L47 HydrophobicContact CD2-CD1 3.94Å; L6-L47 HydrophobicContact CD2-CG 4.41Å; L9-L47 HydrophobicContact CB-CD1 4.27Å; L9-L47 HydrophobicContact CD2-CD1 3.67Å; L47-N49 VanDerWaalsContact C-N 3.32Å; L47-N49 PolarHBondContact O-N 3.13Å; L47-L50 PolarHBondContact O-N 3.27Å; L47-F51 HydrophobicContact CD1-CD2 4.14Å; L47-F51 HydrophobicContact CD1-CE2 3.69Å; L47-F51 HydrophobicContact CD1-CZ 3.98Å; L47-F51 HydrophobicContact CD2-CE2 3.99Å; L47-F51 HydrophobicContact CG-CD2 3.96Å; L47-F51 HydrophobicContact CG-CE2 3.54Å; L47-F51 HydrophobicContact CG-CZ 4.28Å; L47-F51 VanDerWaalsContact O-CD2 3.26Å; L47-F51 WeakPolarHBondContact O-CD2 3.28Å; L47-F51 PolarHBondContact O-N 2.92Å; L47-F140 HydrophobicContact CD2-CE1 3.71Å; L47-F140 HydrophobicContact CD2-CZ 3.81Å |
| 48 | P | 91.4 | Very high | 90.3 | Very high | 55 Ų | 55 | 55.4 Ų | 55.4 | 36% | 0.357 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -55.2 | -42.5 | 170.1 | -27.2 | 35 | 0 | 0 | 0 | 113.8 | E44 A45 F51 Q52 | E44-P48 WeakPolarHBondContact O-CD 3.35Å; A45-P48 WeakPolarHBondContact O-CD 3.43Å; P48-F51 PolarHBondContact O-N 3Å; P48-Q52 PolarHBondContact O-N 3.31Å |
| 49 | N | 91.2 | Very high | 90.6 | Very high | 57 Ų | 57 | 60.8 Ų | 60.8 | 31% | 0.305 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.8 | -44.5 | 177.5 | -171.4 | 28 | 0 | 0 | 0 | 111.6 | A45 L46 L47 F51 Q52 I53 | A45-N49 WeakPolarHBondContact O-CB 3.31Å; A45-N49 PolarHBondContact O-N 3.33Å; L46-N49 PolarHBondContact O-N 3.2Å; L47-N49 VanDerWaalsContact C-N 3.32Å; L47-N49 PolarHBondContact O-N 3.13Å; N49-F51 VanDerWaalsContact C-N 3.31Å; N49-F51 PolarHBondContact O-N 2.78Å; N49-Q52 PolarHBondContact O-N 3.17Å; N49-I53 WeakPolarHBondContact O-CG1 3.37Å; N49-I53 PolarHBondContact O-N 3.23Å; N49-I53 WeakPolarHBondContact OD1-CD1 3.29Å |
| 50 | L | 92.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.5 | -40.5 | 175.6 | -70 | 169.8 | 0 | 0 | 0 | 111.7 | L6 L9 W22 I25 A29 F36 L46 L47 S54 | L6-L50 HydrophobicContact CD2-CD1 3.5Å; L9-L50 HydrophobicContact CD2-CB 3.79Å; L9-L50 HydrophobicContact CD2-CD1 4.39Å; W22-L50 HydrophobicContact CH2-CD1 4.24Å; I25-L50 HydrophobicContact CG2-CD2 3.8Å; A29-L50 HydrophobicContact CB-CD2 3.65Å; F36-L50 HydrophobicContact CE2-CD1 4.3Å; F36-L50 HydrophobicContact CZ-CD1 4.25Å; L46-L50 HydrophobicContact CD1-CD1 4.38Å; L46-L50 HydrophobicContact CD1-CG 4.37Å; L46-L50 HydrophobicContact CG-CD1 4.15Å; L46-L50 VanDerWaalsContact O-CG 3.32Å; L46-L50 WeakPolarHBondContact O-CG 3.46Å; L46-L50 PolarHBondContact O-N 2.79Å; L47-L50 PolarHBondContact O-N 3.27Å; L50-S54 VanDerWaalsContact O-CB 3.25Å; L50-S54 WeakPolarHBondContact O-CB 3.19Å; L50-S54 PolarHBondContact O-N 3.48Å; L50-S54 PolarHBondContact O-OG 2.87Å |
| 51 | F | 94 | Very high | 91.2 | Very high | 4 Ų | 4 | 53.3 Ų | 53.3 | 2% | 0.018 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63 | -45.3 | 174.7 | -77.8 | -53.1 | 0 | 0 | 0 | 112.5 | L9 L47 P48 N49 I53 S54 S55 E62 I65 K66 M69 | L9-F51 HydrophobicContact CD1-CD1 4.23Å; L9-F51 HydrophobicContact CD1-CE1 3.79Å; L9-F51 HydrophobicContact CD2-CD1 4.3Å; L9-F51 HydrophobicContact CD2-CE1 4.25Å; L47-F51 HydrophobicContact CD1-CD2 4.14Å; L47-F51 HydrophobicContact CD1-CE2 3.69Å; L47-F51 HydrophobicContact CD1-CZ 3.98Å; L47-F51 HydrophobicContact CD2-CE2 3.99Å; L47-F51 HydrophobicContact CG-CD2 3.96Å; L47-F51 HydrophobicContact CG-CE2 3.54Å; L47-F51 HydrophobicContact CG-CZ 4.28Å; L47-F51 VanDerWaalsContact O-CD2 3.26Å; L47-F51 WeakPolarHBondContact O-CD2 3.28Å; L47-F51 PolarHBondContact O-N 2.92Å; P48-F51 PolarHBondContact O-N 3Å; N49-F51 VanDerWaalsContact C-N 3.31Å; N49-F51 PolarHBondContact O-N 2.78Å; F51-I53 VanDerWaalsContact C-N 3.33Å; F51-I53 PolarHBondContact O-N 3.37Å; F51-S54 PolarHBondContact O-N 2.8Å; F51-S55 WeakPolarHBondContact O-CB 3.42Å; F51-S55 PolarHBondContact O-N 2.72Å; F51-E62 HydrophobicContact CB-CG 3.77Å; F51-I65 HydrophobicContact CD1-CG2 3.93Å; F51-I65 HydrophobicContact CE1-CG2 4.18Å; F51-K66 HydrophobicContact CD1-CG 3.91Å; F51-K66 HydrophobicContact CD2-CG 4.23Å; F51-K66 HydrophobicContact CE1-CG 3.67Å; F51-K66 HydrophobicContact CE2-CG 3.99Å; F51-K66 HydrophobicContact CG-CG 4.2Å; F51-K66 HydrophobicContact CZ-CG 3.7Å; F51-M69 HydrophobicContact CE1-SD 3.75Å; F51-M69 HydrophobicContact CZ-SD 3.46Å; F51-M69 WeakPolarHBondContact CZ-SD 3.4Å |
| 52 | Q | 92.2 | Very high | 91.5 | Very high | 98 Ų | 98 | 52.4 Ų | 52.4 | 46% | 0.458 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.1 | -41.1 | 179.5 | -170.3 | -179.3 | 11.6 | 0 | 0 | 112 | P48 N49 S55 K56 | P48-Q52 PolarHBondContact O-N 3.31Å; N49-Q52 PolarHBondContact O-N 3.17Å; Q52-S55 PolarHBondContact O-N 2.74Å; Q52-K56 WeakPolarHBondContact O-CG 3.5Å; Q52-K56 PolarHBondContact O-N 2.86Å |
| 53 | I | 92.1 | Very high | 91.7 | Very high | 14 Ų | 14 | 55.8 Ų | 55.8 | 7% | 0.072 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -70.6 | -43.3 | 177.4 | -67.8 | 165.8 | 0 | 0 | 0 | 110.6 | I25 Q28 A29 N49 F51 S55 K56 L57 | I25-I53 HydrophobicContact CB-CG2 4.37Å; I25-I53 HydrophobicContact CG1-CG2 4.41Å; I25-I53 HydrophobicContact CG2-CB 4.44Å; I25-I53 HydrophobicContact CG2-CG2 4.03Å; Q28-I53 HydrophobicContact CB-CD1 4.41Å; Q28-I53 HydrophobicContact CB-CG2 3.82Å; A29-I53 HydrophobicContact CB-CD1 3.47Å; A29-I53 VanDerWaalsContact CB-CD1 3.47Å; N49-I53 WeakPolarHBondContact O-CG1 3.37Å; N49-I53 PolarHBondContact O-N 3.23Å; N49-I53 WeakPolarHBondContact OD1-CD1 3.29Å; F51-I53 VanDerWaalsContact C-N 3.33Å; F51-I53 PolarHBondContact O-N 3.37Å; I53-S55 VanDerWaalsContact C-N 3.26Å; I53-S55 PolarHBondContact O-N 3.18Å; I53-K56 PolarHBondContact O-N 2.97Å; I53-L57 WeakPolarHBondContact O-CB 3.42Å; I53-L57 PolarHBondContact O-N 3.29Å |
| 54 | S | 91.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -56.9 | -42.8 | 174.6 | -57.1 | 0 | 0 | 0 | 0 | 111 | I13 L50 F51 K56 L57 L58 | I13-S54 WeakPolarHBondContact CD1-OG 3.39Å; L50-S54 VanDerWaalsContact O-CB 3.25Å; L50-S54 WeakPolarHBondContact O-CB 3.19Å; L50-S54 PolarHBondContact O-N 3.48Å; L50-S54 PolarHBondContact O-OG 2.87Å; F51-S54 PolarHBondContact O-N 2.8Å; S54-K56 PolarHBondContact O-N 3.31Å; S54-L57 PolarHBondContact O-N 3.47Å; S54-L58 WeakPolarHBondContact O-CB 3.29Å; S54-L58 WeakPolarHBondContact O-CG 3.35Å; S54-L58 PolarHBondContact O-N 2.83Å |
| 55 | S | 93.3 | Very high | 92.2 | Very high | 29 Ų | 29 | 52.9 Ų | 52.9 | 20% | 0.203 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.6 | -43.4 | 178.4 | -178.7 | 0 | 0 | 0 | 0 | 112.5 | F51 Q52 I53 D59 T60 E62 I65 | F51-S55 WeakPolarHBondContact O-CB 3.42Å; F51-S55 PolarHBondContact O-N 2.72Å; Q52-S55 PolarHBondContact O-N 2.74Å; I53-S55 VanDerWaalsContact C-N 3.26Å; I53-S55 PolarHBondContact O-N 3.18Å; S55-D59 WeakPolarHBondContact O-CA 3.41Å; S55-D59 PolarHBondContact O-N 3.1Å; S55-T60 VanDerWaalsContact CA-O 3.23Å; S55-T60 WeakPolarHBondContact CA-O 3.41Å; S55-T60 VanDerWaalsContact CB-O 3.31Å; S55-T60 WeakPolarHBondContact CB-O 3.49Å; S55-T60 PolarHBondContact O-N 3.08Å; S55-T60 PolarHBondContact OG-O 2.91Å; S55-E62 PolarHBondContact OG-N 3.19Å; S55-I65 VanDerWaalsContact CA-CD1 3.45Å |
| 56 | K | 92.2 | Very high | 92.5 | Very high | 149 Ų | 149 | 50.8 Ų | 50.8 | 65% | 0.648 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -68.8 | -43.6 | 177.1 | -70.1 | 175.7 | -178 | 175.8 | 0 | 112.8 | Q52 I53 S54 | Q52-K56 WeakPolarHBondContact O-CG 3.5Å; Q52-K56 PolarHBondContact O-N 2.86Å; I53-K56 PolarHBondContact O-N 2.97Å; S54-K56 PolarHBondContact O-N 3.31Å |
| 57 | L | 91.3 | Very high | 92.8 | Very high | 66 Ų | 66 | 53.5 Ų | 53.5 | 35% | 0.346 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -72.4 | -37 | -175.7 | -172.7 | 69.4 | 0 | 0 | 0 | 112.1 | I21 E24 I25 I53 S54 | I21-L57 HydrophobicContact CG2-CD2 4.19Å; E24-L57 HydrophobicContact CB-CD2 4.15Å; E24-L57 HydrophobicContact CG-CD1 4.23Å; E24-L57 HydrophobicContact CG-CD2 3.92Å; I25-L57 HydrophobicContact CD1-CD2 4.2Å; I25-L57 HydrophobicContact CG1-CD2 3.52Å; I53-L57 WeakPolarHBondContact O-CB 3.42Å; I53-L57 PolarHBondContact O-N 3.29Å; S54-L57 PolarHBondContact O-N 3.47Å |
| 58 | L | 91.2 | Very high | 93 | Very high | 24 Ų | 24 | 53.9 Ų | 53.9 | 13% | 0.126 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -0.5 | -176.3 | -57.9 | 172.6 | 0 | 0 | 0 | 113.3 | W17 I21 S54 T60 I65 | W17-L58 HydrophobicContact CD2-CD1 4.14Å; W17-L58 HydrophobicContact CD2-CD2 4.02Å; W17-L58 HydrophobicContact CE3-CD1 4.15Å; W17-L58 HydrophobicContact CG-CD2 4.06Å; W17-L58 HydrophobicContact CH2-CD1 3.72Å; W17-L58 HydrophobicContact CZ2-CB 4.48Å; W17-L58 HydrophobicContact CZ2-CD1 3.72Å; W17-L58 HydrophobicContact CZ2-CD2 4.42Å; W17-L58 HydrophobicContact CZ2-CG 4.44Å; W17-L58 HydrophobicContact CZ3-CD1 3.95Å; I21-L58 HydrophobicContact CG2-CD2 3.75Å; S54-L58 WeakPolarHBondContact O-CB 3.29Å; S54-L58 WeakPolarHBondContact O-CG 3.35Å; S54-L58 PolarHBondContact O-N 2.83Å; L58-T60 PolarHBondContact O-N 2.81Å; L58-T60 VanDerWaalsContact O-N 3.13Å; L58-T60 PolarHBondContact O-OG1 3.49Å; L58-I65 HydrophobicContact CD1-CD1 4.38Å |
| 59 | D | 90.9 | Very high | 93.1 | Very high | 153 Ų | 153 | 51.3 Ų | 51.3 | 82% | 0.818 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.9 | 41 | -173.8 | -162.7 | 33.9 | 0 | 0 | 0 | 112.7 | S55 | S55-D59 WeakPolarHBondContact O-CA 3.41Å; S55-D59 PolarHBondContact O-N 3.1Å |
| 60 | T | 92.4 | Very high | 93.3 | Very high | 29 Ų | 29 | 48.6 Ų | 48.6 | 18% | 0.178 | 25% | 0.249 | C | C | . | . | trans | -125.7 | 135.8 | -176.1 | -55.7 | 0 | 0 | 0 | 0 | 108.9 | S55 L58 E62 E64 I65 | S55-T60 VanDerWaalsContact CA-O 3.23Å; S55-T60 WeakPolarHBondContact CA-O 3.41Å; S55-T60 VanDerWaalsContact CB-O 3.31Å; S55-T60 WeakPolarHBondContact CB-O 3.49Å; S55-T60 PolarHBondContact O-N 3.08Å; S55-T60 PolarHBondContact OG-O 2.91Å; L58-T60 PolarHBondContact O-N 2.81Å; L58-T60 VanDerWaalsContact O-N 3.13Å; L58-T60 PolarHBondContact O-OG1 3.49Å; T60-E62 PolarHBondContact O-N 2.7Å; T60-E64 HydrophobicContact CG2-CB 3.89Å; T60-I65 HydrophobicContact CG2-CD1 4.41Å; T60-I65 HydrophobicContact CG2-CG1 3.91Å | ||
| 61 | P | 95 | Very high | 93.4 | Very high | 71 Ų | 71 | 51.3 Ų | 51.3 | 46% | 0.461 | 26% | 0.262 | S | S | . | . | trans | -55.2 | 140.6 | 176.7 | -25.6 | 34.3 | 0 | 0 | 0 | 112.6 | D63 E64 I65 | P61-D63 PolarHBondContact O-N 3.36Å; P61-E64 HydrophobicContact CB-CB 4.49Å; P61-E64 HydrophobicContact CB-CG 4.25Å; P61-E64 HydrophobicContact CG-CG 4.39Å; P61-E64 PolarHBondContact O-N 3.29Å; P61-I65 PolarHBondContact O-N 3.43Å; P61-I65 VanDerWaalsContact O-N 3.16Å | ||
| 62 | E | 92.6 | Very high | 93.4 | Very high | 60 Ų | 60 | 52 Ų | 52 | 28% | 0.28 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -56.6 | -38.1 | -177.4 | -162.6 | -174.5 | 146.3 | 0 | 0 | 112.6 | F51 S55 T60 E64 I65 K66 | F51-E62 HydrophobicContact CB-CG 3.77Å; S55-E62 PolarHBondContact OG-N 3.19Å; T60-E62 PolarHBondContact O-N 2.7Å; E62-E64 PolarHBondContact O-N 2.9Å; E62-I65 PolarHBondContact O-N 3.38Å; E62-K66 VanDerWaalsContact CD-NZ 3.34Å; E62-K66 HydrophobicContact CG-CD 4.3Å; E62-K66 WeakPolarHBondContact O-CB 3.39Å; E62-K66 VanDerWaalsContact O-CG 3.3Å; E62-K66 WeakPolarHBondContact O-CG 3.13Å; E62-K66 PolarHBondContact O-N 3.16Å; E62-K66 WeakPolarHBondContact OE1-CE 3.47Å; E62-K66 IonicContact OE1-NZ 2.71Å; E62-K66 PolarHBondContact OE1-NZ 3.23Å |
| 63 | D | 93.6 | Very high | 93.5 | Very high | 93 Ų | 93 | 48.2 Ų | 48.2 | 50% | 0.497 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -67.8 | -33.6 | 179.6 | -73.6 | -5.8 | 0 | 0 | 0 | 112.6 | P61 K66 F67 P142 | P61-D63 PolarHBondContact O-N 3.36Å; D63-K66 IonicContact OD1-NZ 3.2Å; D63-F67 VanDerWaalsContact O-CB 3.26Å; D63-F67 WeakPolarHBondContact O-CB 3.27Å; D63-F67 PolarHBondContact O-N 3.12Å; D63-P142 HydrophobicContact CB-CB 4.16Å; D63-P142 HydrophobicContact CB-CG 3.99Å |
| 64 | E | 94 | Very high | 93.5 | Very high | 122 Ų | 122 | 48.2 Ų | 48.2 | 57% | 0.57 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -70.1 | -38.7 | 174 | -70.6 | -173.3 | -169.3 | 0 | 0 | 111.6 | T60 P61 E62 F67 G68 | T60-E64 HydrophobicContact CG2-CB 3.89Å; P61-E64 HydrophobicContact CB-CB 4.49Å; P61-E64 HydrophobicContact CB-CG 4.25Å; P61-E64 HydrophobicContact CG-CG 4.39Å; P61-E64 PolarHBondContact O-N 3.29Å; E62-E64 PolarHBondContact O-N 2.9Å; E64-F67 PolarHBondContact O-N 2.93Å; E64-G68 PolarHBondContact O-N 2.82Å |
| 65 | I | 94.5 | Very high | 93.4 | Very high | 2 Ų | 2 | 55.3 Ų | 55.3 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.6 | -47 | 174.1 | -68.1 | 163.6 | 0 | 0 | 0 | 110.1 | L9 F12 F51 S55 L58 T60 P61 E62 G68 M69 | L9-I65 HydrophobicContact CD1-CG2 4.49Å; F12-I65 HydrophobicContact CE1-CG2 4.17Å; F51-I65 HydrophobicContact CD1-CG2 3.93Å; F51-I65 HydrophobicContact CE1-CG2 4.18Å; S55-I65 VanDerWaalsContact CA-CD1 3.45Å; L58-I65 HydrophobicContact CD1-CD1 4.38Å; T60-I65 HydrophobicContact CG2-CD1 4.41Å; T60-I65 HydrophobicContact CG2-CG1 3.91Å; P61-I65 PolarHBondContact O-N 3.43Å; P61-I65 VanDerWaalsContact O-N 3.16Å; E62-I65 PolarHBondContact O-N 3.38Å; I65-G68 PolarHBondContact O-N 3.48Å; I65-M69 WeakPolarHBondContact O-CB 3.29Å; I65-M69 PolarHBondContact O-N 3.4Å |
| 66 | K | 95.2 | Very high | 93.3 | Very high | 16 Ų | 16 | 54.2 Ų | 54.2 | 7% | 0.07 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.4 | -45.9 | 177.2 | -75.6 | 165.6 | 176.8 | 167.4 | 0 | 111.8 | F51 E62 D63 M69 G70 G139 P142 F143 | F51-K66 HydrophobicContact CD1-CG 3.91Å; F51-K66 HydrophobicContact CD2-CG 4.23Å; F51-K66 HydrophobicContact CE1-CG 3.67Å; F51-K66 HydrophobicContact CE2-CG 3.99Å; F51-K66 HydrophobicContact CG-CG 4.2Å; F51-K66 HydrophobicContact CZ-CG 3.7Å; E62-K66 VanDerWaalsContact CD-NZ 3.34Å; E62-K66 HydrophobicContact CG-CD 4.3Å; E62-K66 WeakPolarHBondContact O-CB 3.39Å; E62-K66 VanDerWaalsContact O-CG 3.3Å; E62-K66 WeakPolarHBondContact O-CG 3.13Å; E62-K66 PolarHBondContact O-N 3.16Å; E62-K66 WeakPolarHBondContact OE1-CE 3.47Å; E62-K66 IonicContact OE1-NZ 2.71Å; E62-K66 PolarHBondContact OE1-NZ 3.23Å; D63-K66 IonicContact OD1-NZ 3.2Å; K66-M69 PolarHBondContact O-N 3.24Å; K66-G70 PolarHBondContact O-N 3.5Å; K66-G139 WeakPolarHBondContact CD-O 3.49Å; K66-G139 WeakPolarHBondContact CE-O 3.43Å; K66-G139 PolarHBondContact NZ-O 3.48Å; K66-P142 HydrophobicContact CB-CB 4Å; K66-P142 HydrophobicContact CD-CG 4.49Å; K66-F143 HydrophobicContact CB-CB 4.25Å; K66-F143 VanDerWaalsContact O-CA 3.3Å; K66-F143 WeakPolarHBondContact O-CA 3.24Å |
| 67 | F | 95.7 | Very high | 93.1 | Very high | 79 Ų | 79 | 47.7 Ų | 47.7 | 35% | 0.346 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -60.8 | -47.4 | 176.7 | -175.9 | -90.9 | 0 | 0 | 0 | 111.4 | D63 E64 M69 G70 I71 P142 C145 G146 | D63-F67 VanDerWaalsContact O-CB 3.26Å; D63-F67 WeakPolarHBondContact O-CB 3.27Å; D63-F67 PolarHBondContact O-N 3.12Å; E64-F67 PolarHBondContact O-N 2.93Å; F67-M69 PolarHBondContact O-N 3.41Å; F67-G70 WeakPolarHBondContact O-CA 3.26Å; F67-G70 PolarHBondContact O-N 2.67Å; F67-G70 VanDerWaalsContact O-N 3.09Å; F67-I71 HydrophobicContact CD1-CD1 3.93Å; F67-I71 HydrophobicContact CE1-CD1 3.52Å; F67-I71 HydrophobicContact CE1-CG1 4.28Å; F67-I71 HydrophobicContact CZ-CD1 4.32Å; F67-I71 PolarHBondContact O-N 3.49Å; F67-I71 VanDerWaalsContact O-N 3.15Å; F67-P142 WeakPolarHBondContact CA-O 3.17Å; F67-C145 HydrophobicContact CD2-CB 4.04Å; F67-C145 HydrophobicContact CE2-CB 4.02Å; F67-G146 VanDerWaalsContact CD2-CA 3.47Å; F67-G146 VanDerWaalsContact CD2-N 3.3Å; F67-G146 VanDerWaalsContact CE2-CA 3.41Å |
| 68 | G | 95.1 | Very high | 92.8 | Very high | 11 Ų | 11 | 45.2 Ų | 45.2 | 11% | 0.113 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.9 | -40.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | F12 E64 I65 G70 I71 S72 | F12-G68 WeakPolarHBondContact CE2-O 3.31Å; E64-G68 PolarHBondContact O-N 2.82Å; I65-G68 PolarHBondContact O-N 3.48Å; G68-G70 VanDerWaalsContact C-N 3.3Å; G68-G70 PolarHBondContact O-N 3.22Å; G68-I71 PolarHBondContact O-N 3.23Å; G68-S72 PolarHBondContact O-N 3.21Å; G68-S72 VanDerWaalsContact O-N 3.12Å |
| 69 | M | 95.2 | Very high | 92.6 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.3 | -42.6 | 172.1 | 179.5 | -168.8 | 161.4 | 0 | 0 | 110.7 | L5 L9 F12 F51 I65 K66 F67 I71 S72 F73 F143 | L5-M69 HydrophobicContact CB-CE 4.28Å; L5-M69 HydrophobicContact CD2-CE 4.13Å; L5-M69 WeakPolarHBondContact O-CE 3.23Å; L9-M69 HydrophobicContact CB-CE 4.08Å; L9-M69 HydrophobicContact CB-SD 3.78Å; L9-M69 HydrophobicContact CD1-CG 4.44Å; L9-M69 HydrophobicContact CD1-SD 3.96Å; L9-M69 HydrophobicContact CG-SD 4.42Å; F12-M69 HydrophobicContact CB-CB 4.47Å; F12-M69 HydrophobicContact CB-CG 4.43Å; F12-M69 HydrophobicContact CD1-CB 3.9Å; F12-M69 HydrophobicContact CE1-CB 4.34Å; F12-M69 HydrophobicContact CG-CB 4.16Å; F51-M69 HydrophobicContact CE1-SD 3.75Å; F51-M69 HydrophobicContact CZ-SD 3.46Å; F51-M69 WeakPolarHBondContact CZ-SD 3.4Å; I65-M69 WeakPolarHBondContact O-CB 3.29Å; I65-M69 PolarHBondContact O-N 3.4Å; K66-M69 PolarHBondContact O-N 3.24Å; F67-M69 PolarHBondContact O-N 3.41Å; M69-I71 VanDerWaalsContact C-N 3.33Å; M69-I71 PolarHBondContact O-N 2.99Å; M69-S72 PolarHBondContact O-N 3.31Å; M69-F73 VanDerWaalsContact O-CB 3.24Å; M69-F73 WeakPolarHBondContact O-CB 3.31Å; M69-F73 PolarHBondContact O-N 2.9Å; M69-F143 HydrophobicContact CB-CD2 4.27Å; M69-F143 HydrophobicContact CE-CD2 4.16Å; M69-F143 HydrophobicContact CE-CE2 3.69Å; M69-F143 HydrophobicContact CE-CZ 4.46Å; M69-F143 HydrophobicContact CG-CD2 4.03Å; M69-F143 HydrophobicContact CG-CE2 3.94Å; M69-F143 HydrophobicContact SD-CD2 4.01Å; M69-F143 HydrophobicContact SD-CE2 4.08Å |
| 70 | G | 94.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -55.6 | -45.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | K66 F67 G68 F73 F143 W147 | K66-G70 PolarHBondContact O-N 3.5Å; F67-G70 WeakPolarHBondContact O-CA 3.26Å; F67-G70 PolarHBondContact O-N 2.67Å; F67-G70 VanDerWaalsContact O-N 3.09Å; G68-G70 VanDerWaalsContact C-N 3.3Å; G68-G70 PolarHBondContact O-N 3.22Å; G70-F73 WeakPolarHBondContact O-CB 3.48Å; G70-F73 PolarHBondContact O-N 3.2Å; G70-F143 WeakPolarHBondContact CA-O 3.3Å; G70-W147 VanDerWaalsContact O-CA 3.25Å; G70-W147 WeakPolarHBondContact O-CA 3.43Å |
| 71 | I | 94.8 | Very high | 91.9 | Very high | 57 Ų | 57 | 47.7 Ų | 47.7 | 29% | 0.292 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59.3 | -56 | 176.4 | -66.1 | 176.4 | 0 | 0 | 0 | 110.4 | F67 G68 M69 F73 V74 G146 E150 | F67-I71 HydrophobicContact CD1-CD1 3.93Å; F67-I71 HydrophobicContact CE1-CD1 3.52Å; F67-I71 HydrophobicContact CE1-CG1 4.28Å; F67-I71 HydrophobicContact CZ-CD1 4.32Å; F67-I71 PolarHBondContact O-N 3.49Å; F67-I71 VanDerWaalsContact O-N 3.15Å; G68-I71 PolarHBondContact O-N 3.23Å; M69-I71 VanDerWaalsContact C-N 3.33Å; M69-I71 PolarHBondContact O-N 2.99Å; I71-F73 PolarHBondContact O-N 2.89Å; I71-V74 PolarHBondContact O-N 2.91Å; I71-G146 WeakPolarHBondContact CG1-O 2.95Å; I71-E150 HydrophobicContact CB-CB 4.23Å; I71-E150 HydrophobicContact CB-CG 4.47Å; I71-E150 HydrophobicContact CG1-CB 4.2Å; I71-E150 HydrophobicContact CG2-CB 4.01Å; I71-E150 HydrophobicContact CG2-CG 3.77Å |
| 72 | S | 93.8 | Very high | 91.4 | Very high | 17 Ų | 17 | 46.1 Ų | 46.1 | 12% | 0.119 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.3 | -26.1 | -178.9 | 176.6 | 0 | 0 | 0 | 0 | 112.7 | G68 M69 V74 E75 Y76 | G68-S72 PolarHBondContact O-N 3.21Å; G68-S72 VanDerWaalsContact O-N 3.12Å; M69-S72 PolarHBondContact O-N 3.31Å; S72-V74 VanDerWaalsContact C-N 3.26Å; S72-V74 PolarHBondContact O-N 3.16Å; S72-E75 PolarHBondContact O-N 3.49Å; S72-Y76 PolarHBondContact O-N 3.06Å |
| 73 | F | 94.4 | Very high | 90.9 | Very high | 20 Ų | 20 | 47.5 Ų | 47.5 | 9% | 0.088 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.4 | -28.6 | 179.7 | -163.6 | -110.6 | 0 | 0 | 0 | 113 | L4 L5 M69 G70 I71 Y76 V77 F143 | L4-F73 HydrophobicContact CD2-CZ 4.32Å; L4-F73 HydrophobicContact CG-CE2 4.48Å; L4-F73 HydrophobicContact CG-CZ 4.13Å; L5-F73 HydrophobicContact CD2-CE1 4.25Å; L5-F73 HydrophobicContact CD2-CE2 3.99Å; L5-F73 HydrophobicContact CD2-CZ 3.77Å; M69-F73 VanDerWaalsContact O-CB 3.24Å; M69-F73 WeakPolarHBondContact O-CB 3.31Å; M69-F73 PolarHBondContact O-N 2.9Å; G70-F73 WeakPolarHBondContact O-CB 3.48Å; G70-F73 PolarHBondContact O-N 3.2Å; I71-F73 PolarHBondContact O-N 2.89Å; F73-Y76 AromaticContact CD2-CD1 3.8Å; F73-Y76 HydrophobicContact CD2-CD1 3.8Å; F73-Y76 HydrophobicContact CD2-CE1 4.5Å; F73-Y76 AromaticContact CE2-CD1 3.72Å; F73-Y76 HydrophobicContact CE2-CD1 3.72Å; F73-Y76 HydrophobicContact CE2-CE1 4.02Å; F73-Y76 PolarHBondContact O-N 3.49Å; F73-V77 HydrophobicContact CD1-CG2 3.6Å; F73-V77 HydrophobicContact CD2-CG2 4.22Å; F73-V77 HydrophobicContact CE1-CG2 3.29Å; F73-V77 HydrophobicContact CE2-CG2 3.93Å; F73-V77 HydrophobicContact CG-CG2 4.07Å; F73-V77 HydrophobicContact CZ-CG2 3.46Å; F73-V77 VanDerWaalsContact CZ-CG2 3.46Å; F73-V77 VanDerWaalsContact O-CB 3.3Å; F73-V77 WeakPolarHBondContact O-CB 3.37Å; F73-V77 VanDerWaalsContact O-CG2 3.24Å; F73-V77 WeakPolarHBondContact O-CG2 3.32Å; F73-V77 PolarHBondContact O-N 2.64Å; F73-F143 HydrophobicContact CB-CE2 3.99Å; F73-F143 HydrophobicContact CB-CZ 4.12Å; F73-F143 HydrophobicContact CD1-CE2 4.39Å; F73-F143 AromaticContact CD1-CZ 3.69Å; F73-F143 HydrophobicContact CD1-CZ 3.69Å; F73-F143 HydrophobicContact CD2-CZ 4.39Å; F73-F143 HydrophobicContact CE1-CZ 4.14Å; F73-F143 HydrophobicContact CG-CE2 4.07Å; F73-F143 AromaticContact CG-CZ 3.82Å; F73-F143 HydrophobicContact CG-CZ 3.82Å |
| 74 | V | 91.5 | Very high | 90.4 | Very high | 13 Ų | 13 | 45.1 Ų | 45.1 | 8% | 0.079 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.7 | -48.8 | 175.9 | -179.8 | 0 | 0 | 0 | 0 | 110.6 | I71 S72 G78 W147 E150 L151 | I71-V74 PolarHBondContact O-N 2.91Å; S72-V74 VanDerWaalsContact C-N 3.26Å; S72-V74 PolarHBondContact O-N 3.16Å; V74-G78 PolarHBondContact O-N 2.96Å; V74-W147 VanDerWaalsContact CG2-CD1 3.44Å; V74-W147 HydrophobicContact CG2-CG 4.4Å; V74-E150 HydrophobicContact CB-CG 4.33Å; V74-E150 HydrophobicContact CG2-CB 4Å; V74-E150 HydrophobicContact CG2-CG 4.19Å; V74-L151 HydrophobicContact CG2-CB 4.09Å |
| 75 | E | 89.5 | Confident | 89.9 | Confident | 149 Ų | 149 | 41.9 Ų | 41.9 | 70% | 0.696 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -66.2 | -44.1 | 177.9 | -175.2 | 177 | -170 | 0 | 0 | 111.2 | S72 V77 G78 S79 | S72-E75 PolarHBondContact O-N 3.49Å; E75-V77 PolarHBondContact O-N 3.27Å; E75-G78 WeakPolarHBondContact O-CA 3.44Å; E75-G78 PolarHBondContact O-N 3.36Å; E75-S79 PolarHBondContact O-N 3.26Å |
| 76 | Y | 90.6 | Very high | 89.5 | Confident | 6 Ų | 6 | 42.3 Ų | 42.3 | 2% | 0.024 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.4 | -50.6 | 177.6 | 171.8 | -106.8 | 0 | 0 | 0 | 112.1 | L4 E7 N11 S72 F73 G78 S79 K80 | L4-Y76 HydrophobicContact CD1-CE1 3.86Å; E7-Y76 WeakPolarHBondContact CB-OH 3.36Å; E7-Y76 HydrophobicContact CG-CE2 4.17Å; E7-Y76 WeakPolarHBondContact CG-OH 3.43Å; N11-Y76 HydrophobicContact CB-CD2 3.91Å; N11-Y76 HydrophobicContact CB-CE2 4.35Å; S72-Y76 PolarHBondContact O-N 3.06Å; F73-Y76 AromaticContact CD2-CD1 3.8Å; F73-Y76 HydrophobicContact CD2-CD1 3.8Å; F73-Y76 HydrophobicContact CD2-CE1 4.5Å; F73-Y76 AromaticContact CE2-CD1 3.72Å; F73-Y76 HydrophobicContact CE2-CD1 3.72Å; F73-Y76 HydrophobicContact CE2-CE1 4.02Å; F73-Y76 PolarHBondContact O-N 3.49Å; Y76-G78 VanDerWaalsContact C-N 3.26Å; Y76-G78 PolarHBondContact O-N 2.91Å; Y76-S79 PolarHBondContact O-N 3.04Å; Y76-S79 VanDerWaalsContact O-N 3.15Å; Y76-S79 PolarHBondContact O-OG 3.26Å; Y76-K80 HydrophobicContact CE1-CG 4.43Å; Y76-K80 HydrophobicContact CE2-CD 4.44Å; Y76-K80 HydrophobicContact CE2-CG 4.2Å; Y76-K80 WeakPolarHBondContact O-CG 3.34Å; Y76-K80 PolarHBondContact O-N 3.37Å; Y76-K80 VanDerWaalsContact OH-CE 3.32Å; Y76-K80 WeakPolarHBondContact OH-CE 3.45Å |
| 77 | V | 88.8 | Confident | 88.9 | Confident | 13 Ų | 13 | 48.6 Ų | 48.6 | 8% | 0.079 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.8 | -35.5 | 178.3 | 170.4 | 0 | 0 | 0 | 0 | 111 | F73 E75 K80 Y82 L86 | F73-V77 HydrophobicContact CD1-CG2 3.6Å; F73-V77 HydrophobicContact CD2-CG2 4.22Å; F73-V77 HydrophobicContact CE1-CG2 3.29Å; F73-V77 HydrophobicContact CE2-CG2 3.93Å; F73-V77 HydrophobicContact CG-CG2 4.07Å; F73-V77 HydrophobicContact CZ-CG2 3.46Å; F73-V77 VanDerWaalsContact CZ-CG2 3.46Å; F73-V77 VanDerWaalsContact O-CB 3.3Å; F73-V77 WeakPolarHBondContact O-CB 3.37Å; F73-V77 VanDerWaalsContact O-CG2 3.24Å; F73-V77 WeakPolarHBondContact O-CG2 3.32Å; F73-V77 PolarHBondContact O-N 2.64Å; E75-V77 PolarHBondContact O-N 3.27Å; V77-K80 PolarHBondContact O-N 3.43Å; V77-Y82 VanDerWaalsContact CG1-CB 3.45Å; V77-Y82 HydrophobicContact CG1-CD2 4Å; V77-Y82 HydrophobicContact CG1-CG 4.05Å; V77-Y82 PolarHBondContact O-N 3.39Å; V77-L86 HydrophobicContact CG1-CD1 3.9Å |
| 78 | G | 86.1 | Confident | 88.4 | Confident | 13 Ų | 13 | 50.8 Ų | 50.8 | 13% | 0.134 | 29% | 0.286 | C | S | . | . | I | π-helix | trans | -58.1 | -49.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | V74 E75 Y76 K80 G81 | V74-G78 PolarHBondContact O-N 2.96Å; E75-G78 WeakPolarHBondContact O-CA 3.44Å; E75-G78 PolarHBondContact O-N 3.36Å; Y76-G78 VanDerWaalsContact C-N 3.26Å; Y76-G78 PolarHBondContact O-N 2.91Å; G78-K80 PolarHBondContact O-N 3.37Å; G78-G81 PolarHBondContact O-N 2.86Å |
| 79 | S | 85.7 | Confident | 87.8 | Confident | 90 Ų | 90 | 52.5 Ų | 52.5 | 63% | 0.629 | 29% | 0.292 | S | S | * | . | I | π-helix | trans | -62.2 | -23 | 178.2 | 80.8 | 0 | 0 | 0 | 0 | 113.7 | E75 Y76 G81 | E75-S79 PolarHBondContact O-N 3.26Å; Y76-S79 PolarHBondContact O-N 3.04Å; Y76-S79 VanDerWaalsContact O-N 3.15Å; Y76-S79 PolarHBondContact O-OG 3.26Å; S79-G81 VanDerWaalsContact C-N 3.3Å |
| 80 | K | 84.8 | Confident | 87.2 | Confident | 109 Ų | 109 | 52.9 Ų | 52.9 | 47% | 0.474 | 30% | 0.297 | S | S | . | . | I | π-helix | trans | -85.6 | 5.5 | 175.6 | -64 | -60.2 | -177 | -174.3 | 0 | 114.1 | Y76 V77 G78 Y82 | Y76-K80 HydrophobicContact CE1-CG 4.43Å; Y76-K80 HydrophobicContact CE2-CD 4.44Å; Y76-K80 HydrophobicContact CE2-CG 4.2Å; Y76-K80 WeakPolarHBondContact O-CG 3.34Å; Y76-K80 PolarHBondContact O-N 3.37Å; Y76-K80 VanDerWaalsContact OH-CE 3.32Å; Y76-K80 WeakPolarHBondContact OH-CE 3.45Å; V77-K80 PolarHBondContact O-N 3.43Å; G78-K80 PolarHBondContact O-N 3.37Å; K80-Y82 HydrophobicContact CB-CD2 4.04Å; K80-Y82 HydrophobicContact CB-CE2 4.28Å |
| 81 | G | 83.6 | Confident | 86.8 | Confident | 60 Ų | 60 | 63.7 Ų | 63.7 | 62% | 0.619 | 34% | 0.338 | S | S | * | . | I | π-helix | trans | 90.1 | 2.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115 | G78 S79 Q83 | G78-G81 PolarHBondContact O-N 2.86Å; S79-G81 VanDerWaalsContact C-N 3.3Å; G81-Q83 VanDerWaalsContact C-N 3.28Å; G81-Q83 PolarHBondContact O-N 2.98Å |
| 82 | Y | 84.3 | Confident | 86.5 | Confident | 38 Ų | 38 | 64.4 Ų | 64.4 | 15% | 0.149 | 34% | 0.34 | C | S | . | . | I | π-helix | trans | -82.7 | -4 | 177.5 | -66.8 | -73.6 | 0 | 0 | 0 | 113.4 | V77 K80 G84 I85 L86 L107 Y111 | V77-Y82 VanDerWaalsContact CG1-CB 3.45Å; V77-Y82 HydrophobicContact CG1-CD2 4Å; V77-Y82 HydrophobicContact CG1-CG 4.05Å; V77-Y82 PolarHBondContact O-N 3.39Å; K80-Y82 HydrophobicContact CB-CD2 4.04Å; K80-Y82 HydrophobicContact CB-CE2 4.28Å; Y82-G84 VanDerWaalsContact C-N 3.25Å; Y82-G84 PolarHBondContact O-N 3.19Å; Y82-I85 HydrophobicContact CD1-CD1 3.91Å; Y82-I85 HydrophobicContact CE1-CD1 4.48Å; Y82-I85 PolarHBondContact O-N 3.21Å; Y82-L86 WeakPolarHBondContact O-CG 3.3Å; Y82-L86 PolarHBondContact O-N 3.18Å; Y82-L107 HydrophobicContact CD1-CD2 4.29Å; Y82-L107 HydrophobicContact CE1-CD2 3.7Å; Y82-Y111 PolarHBondContact OH-OH 2.97Å |
| 83 | Q | 82.5 | Confident | 86.3 | Confident | 88 Ų | 88 | 63.7 Ų | 63.7 | 41% | 0.411 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -55.6 | -40.6 | 179 | -167.5 | 177 | -2.2 | 0 | 0 | 112.4 | G81 L86 R87 | G81-Q83 VanDerWaalsContact C-N 3.28Å; G81-Q83 PolarHBondContact O-N 2.98Å; Q83-L86 PolarHBondContact O-N 3.4Å; Q83-R87 WeakPolarHBondContact O-CG 3.43Å; Q83-R87 PolarHBondContact O-N 2.87Å; Q83-R87 VanDerWaalsContact O-N 3.11Å |
| 84 | G | 83 | Confident | 86 | Confident | 44 Ų | 44 | 65.8 Ų | 65.8 | 45% | 0.454 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.9 | -46.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y82 R87 V88 | Y82-G84 VanDerWaalsContact C-N 3.25Å; Y82-G84 PolarHBondContact O-N 3.19Å; G84-R87 PolarHBondContact O-N 3.05Å; G84-V88 VanDerWaalsContact O-CG2 3.3Å; G84-V88 WeakPolarHBondContact O-CG2 3.43Å; G84-V88 PolarHBondContact O-N 3.45Å |
| 85 | I | 84.4 | Confident | 85.8 | Confident | 54 Ų | 54 | 67.9 Ų | 67.9 | 28% | 0.277 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.5 | -47.7 | 178.4 | -67 | 159.6 | 0 | 0 | 0 | 110.2 | Y82 R87 V88 L89 L103 F106 | Y82-I85 HydrophobicContact CD1-CD1 3.91Å; Y82-I85 HydrophobicContact CE1-CD1 4.48Å; Y82-I85 PolarHBondContact O-N 3.21Å; I85-R87 VanDerWaalsContact C-N 3.25Å; I85-R87 PolarHBondContact O-N 3.08Å; I85-V88 PolarHBondContact O-N 3.27Å; I85-V88 VanDerWaalsContact O-N 3.08Å; I85-L89 WeakPolarHBondContact O-CG 3.42Å; I85-L89 PolarHBondContact O-N 2.96Å; I85-L103 HydrophobicContact CG2-CD1 3.64Å; I85-F106 HydrophobicContact CD1-CE1 3.71Å; I85-F106 HydrophobicContact CD1-CZ 4.31Å |
| 86 | L | 85 | Confident | 85.8 | Confident | 10 Ų | 10 | 60.8 Ų | 60.8 | 5% | 0.052 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59 | -36.5 | -179.9 | -68.9 | 175.2 | 0 | 0 | 0 | 112.7 | V77 Y82 Q83 L89 F96 L103 L155 | V77-L86 HydrophobicContact CG1-CD1 3.9Å; Y82-L86 WeakPolarHBondContact O-CG 3.3Å; Y82-L86 PolarHBondContact O-N 3.18Å; Q83-L86 PolarHBondContact O-N 3.4Å; L86-L89 HydrophobicContact CD2-CD1 4.22Å; L86-F96 HydrophobicContact CD2-CE2 4.08Å; L86-F96 HydrophobicContact CD2-CZ 4.39Å; L86-L103 HydrophobicContact CD2-CD2 3.84Å; L86-L155 HydrophobicContact CB-CD1 3.98Å |
| 87 | R | 83.4 | Confident | 85.7 | Confident | 148 Ų | 148 | 60.6 Ų | 60.6 | 56% | 0.558 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -71.1 | -28.3 | 176.8 | -78.3 | 179.8 | 173.3 | -158.9 | -1.8 | 114.1 | Q83 G84 I85 L155 | Q83-R87 WeakPolarHBondContact O-CG 3.43Å; Q83-R87 PolarHBondContact O-N 2.87Å; Q83-R87 VanDerWaalsContact O-N 3.11Å; G84-R87 PolarHBondContact O-N 3.05Å; I85-R87 VanDerWaalsContact C-N 3.25Å; I85-R87 PolarHBondContact O-N 3.08Å; R87-L155 HydrophobicContact CG-CD2 3.78Å |
| 88 | V | 84.3 | Confident | 85.5 | Confident | 125 Ų | 125 | 62 Ų | 62 | 76% | 0.758 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -88.3 | -17.1 | -175.1 | 175.2 | 0 | 0 | 0 | 0 | 112.4 | G84 I85 G90 | G84-V88 VanDerWaalsContact O-CG2 3.3Å; G84-V88 WeakPolarHBondContact O-CG2 3.43Å; G84-V88 PolarHBondContact O-N 3.45Å; I85-V88 PolarHBondContact O-N 3.27Å; I85-V88 VanDerWaalsContact O-N 3.08Å; V88-G90 PolarHBondContact O-N 3.34Å |
| 89 | L | 83.4 | Confident | 85.4 | Confident | 47 Ų | 47 | 61.8 Ų | 61.8 | 25% | 0.246 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -61.8 | -27.7 | -177.3 | -74.9 | 167.4 | 0 | 0 | 0 | 114.5 | I85 L86 F96 L103 | I85-L89 WeakPolarHBondContact O-CG 3.42Å; I85-L89 PolarHBondContact O-N 2.96Å; L86-L89 HydrophobicContact CD2-CD1 4.22Å; L89-F96 HydrophobicContact CB-CD2 3.94Å; L89-F96 HydrophobicContact CB-CE2 4.44Å; L89-F96 HydrophobicContact CD1-CD2 4.06Å; L89-F96 HydrophobicContact CD1-CE2 3.73Å; L89-L103 HydrophobicContact CD1-CB 3.86Å; L89-L103 HydrophobicContact CD1-CD1 3.98Å; L89-L103 HydrophobicContact CD1-CD2 3.68Å; L89-L103 HydrophobicContact CD1-CG 4.01Å; L89-L103 HydrophobicContact CD2-CB 4.02Å |
| 90 | G | 83.3 | Confident | 85.6 | Confident | 9 Ų | 9 | 57.5 Ų | 57.5 | 9% | 0.093 | 29% | 0.294 | C | S | . | . | trans | -163.7 | 139.4 | -178 | 0 | 0 | 0 | 0 | 0 | 112.4 | V88 E92 Y156 | V88-G90 PolarHBondContact O-N 3.34Å; G90-E92 VanDerWaalsContact C-N 3.29Å; G90-Y156 WeakPolarHBondContact O-CE1 3.36Å; G90-Y156 PolarHBondContact O-OH 3.14Å | ||
| 91 | R | 85.2 | Confident | 85.6 | Confident | 228 Ų | 228 | 53 Ų | 53 | 86% | 0.86 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -68.2 | -36.2 | 172.6 | -67.6 | -177.3 | 179.6 | -174.8 | 0.6 | 110.7 | D95 Y156 | R91-D95 PolarHBondContact N-OD2 3.19Å; R91-Y156 WeakPolarHBondContact O-CE1 3.25Å |
| 92 | E | 88.3 | Confident | 85.5 | Confident | 71 Ų | 71 | 52.6 Ų | 52.6 | 33% | 0.332 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -122.8 | 162.8 | 179.4 | -63.4 | -67.9 | 166.1 | 0 | 0 | 111.4 | G90 R94 D95 F96 Y156 S186 | G90-E92 VanDerWaalsContact C-N 3.29Å; E92-R94 HydrophobicContact CB-CG 3.9Å; E92-R94 PolarHBondContact O-N 2.85Å; E92-D95 PolarHBondContact N-OD2 3.22Å; E92-D95 VanDerWaalsContact N-OD2 3.11Å; E92-D95 WeakPolarHBondContact O-CB 3.38Å; E92-D95 PolarHBondContact O-N 3.26Å; E92-F96 PolarHBondContact O-N 3.11Å; E92-F96 VanDerWaalsContact O-N 3.1Å; E92-Y156 VanDerWaalsContact C-CE1 3.47Å; E92-S186 VanDerWaalsContact CD-OG 3.29Å; E92-S186 VanDerWaalsContact CG-OG 3.29Å; E92-S186 WeakPolarHBondContact CG-OG 3.45Å |
| 93 | L | 89.8 | Confident | 85.6 | Confident | 3 Ų | 3 | 51.3 Ų | 51.3 | 2% | 0.016 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.4 | -34.7 | 179.3 | -177.4 | 60.8 | 0 | 0 | 0 | 112.3 | D95 F96 L97 M148 A152 Y156 M160 F182 | L93-D95 VanDerWaalsContact C-N 3.31Å; L93-D95 PolarHBondContact O-N 3.19Å; L93-F96 HydrophobicContact CD1-CD1 4.41Å; L93-F96 PolarHBondContact O-N 2.92Å; L93-L97 HydrophobicContact CG-CD1 4.27Å; L93-L97 VanDerWaalsContact O-CG 3.27Å; L93-L97 WeakPolarHBondContact O-CG 3.13Å; L93-L97 PolarHBondContact O-N 3.29Å; L93-M148 HydrophobicContact CD1-CE 3.99Å; L93-A152 HydrophobicContact CD1-CB 4.16Å; L93-A152 HydrophobicContact CD2-CB 3.88Å; L93-Y156 HydrophobicContact CB-CD2 4.15Å; L93-Y156 HydrophobicContact CB-CG 4.22Å; L93-Y156 HydrophobicContact CD1-CD2 3.93Å; L93-Y156 HydrophobicContact CD1-CE2 4.18Å; L93-M160 HydrophobicContact CD2-SD 4.07Å; L93-F182 HydrophobicContact CB-CE2 4.33Å; L93-F182 HydrophobicContact CD2-CD1 4.04Å; L93-F182 HydrophobicContact CD2-CD2 4.01Å; L93-F182 HydrophobicContact CD2-CE1 4.06Å; L93-F182 HydrophobicContact CD2-CE2 4.02Å; L93-F182 HydrophobicContact CD2-CG 4.03Å; L93-F182 HydrophobicContact CD2-CZ 4.05Å; L93-F182 HydrophobicContact CG-CZ 4.39Å |
| 94 | R | 88.4 | Confident | 85.7 | Confident | 63 Ų | 63 | 48.4 Ų | 48.4 | 24% | 0.238 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.2 | -38 | 174.5 | 58.5 | 159.4 | -70 | 148 | 0.6 | 112.7 | E92 N98 E124 I129 | E92-R94 HydrophobicContact CB-CG 3.9Å; E92-R94 PolarHBondContact O-N 2.85Å; R94-N98 PolarHBondContact O-N 3.27Å; R94-N98 VanDerWaalsContact O-N 3.17Å; R94-N98 PolarHBondContact O-ND2 3.43Å; R94-E124 VanDerWaalsContact CD-OE1 3.29Å; R94-E124 WeakPolarHBondContact CD-OE1 3.33Å; R94-E124 IonicContact CZ-OE1 3.11Å; R94-E124 IonicContact CZ-OE2 3.01Å; R94-E124 IonicContact NE-OE1 2.66Å; R94-E124 IonicContact NE-OE2 3.98Å; R94-E124 IonicContact NH1-OE1 2.7Å; R94-E124 PolarHBondContact NH1-OE1 3.41Å; R94-E124 IonicContact NH1-OE2 3.85Å; R94-E124 PolarHBondContact NH1-OE2 3.35Å; R94-E124 IonicContact NH2-OE2 3.97Å; R94-E124 PolarHBondContact NH2-OE2 2.87Å; R94-I129 HydrophobicContact CB-CD1 3.76Å |
| 95 | D | 86.9 | Confident | 85.5 | Confident | 58 Ų | 58 | 47.9 Ų | 47.9 | 31% | 0.31 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -73.2 | -42.8 | -178.1 | -55.4 | -33.3 | 0 | 0 | 0 | 109.4 | R91 E92 L93 L97 N98 G99 | R91-D95 PolarHBondContact N-OD2 3.19Å; E92-D95 PolarHBondContact N-OD2 3.22Å; E92-D95 VanDerWaalsContact N-OD2 3.11Å; E92-D95 WeakPolarHBondContact O-CB 3.38Å; E92-D95 PolarHBondContact O-N 3.26Å; L93-D95 VanDerWaalsContact C-N 3.31Å; L93-D95 PolarHBondContact O-N 3.19Å; D95-L97 PolarHBondContact O-N 2.65Å; D95-N98 PolarHBondContact O-N 3.17Å; D95-G99 PolarHBondContact O-N 3.49Å |
| 96 | F | 89.8 | Confident | 85.4 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -56.2 | -48.7 | 174.1 | 178.3 | -92.9 | 0 | 0 | 0 | 111.9 | L86 L89 E92 L93 N98 G99 L100 W147 M148 L151 Y156 | L86-F96 HydrophobicContact CD2-CE2 4.08Å; L86-F96 HydrophobicContact CD2-CZ 4.39Å; L89-F96 HydrophobicContact CB-CD2 3.94Å; L89-F96 HydrophobicContact CB-CE2 4.44Å; L89-F96 HydrophobicContact CD1-CD2 4.06Å; L89-F96 HydrophobicContact CD1-CE2 3.73Å; E92-F96 PolarHBondContact O-N 3.11Å; E92-F96 VanDerWaalsContact O-N 3.1Å; L93-F96 HydrophobicContact CD1-CD1 4.41Å; L93-F96 PolarHBondContact O-N 2.92Å; F96-N98 VanDerWaalsContact C-N 3.34Å; F96-N98 PolarHBondContact O-N 3.43Å; F96-G99 CarbonylContact O-C 3.52Å; F96-G99 WeakPolarHBondContact O-CA 3.41Å; F96-G99 PolarHBondContact O-N 3.44Å; F96-L100 HydrophobicContact CD1-CD2 4.24Å; F96-L100 HydrophobicContact CD1-CG 4.46Å; F96-L100 HydrophobicContact CE1-CD1 4.48Å; F96-L100 HydrophobicContact CE1-CD2 3.49Å; F96-L100 VanDerWaalsContact CE1-CD2 3.49Å; F96-L100 HydrophobicContact CE1-CG 4.13Å; F96-L100 HydrophobicContact CE2-CD2 4.44Å; F96-L100 HydrophobicContact CZ-CD2 3.59Å; F96-L100 PolarHBondContact O-N 3Å; F96-L100 VanDerWaalsContact O-N 3.16Å; F96-W147 HydrophobicContact CE1-CH2 4.35Å; F96-W147 AromaticContact CZ-CH2 3.99Å; F96-W147 HydrophobicContact CZ-CH2 3.99Å; F96-W147 HydrophobicContact CZ-CZ2 4.26Å; F96-M148 HydrophobicContact CD1-CE 4.14Å; F96-M148 HydrophobicContact CE1-CE 3.95Å; F96-M148 HydrophobicContact CE1-SD 3.9Å; F96-L151 HydrophobicContact CD1-CD2 3.98Å; F96-L151 HydrophobicContact CD2-CD2 4.43Å; F96-L151 HydrophobicContact CE1-CD1 3.87Å; F96-L151 HydrophobicContact CE1-CD2 3.64Å; F96-L151 HydrophobicContact CE1-CG 4.43Å; F96-L151 HydrophobicContact CE2-CD1 4.02Å; F96-L151 HydrophobicContact CE2-CD2 4.13Å; F96-L151 HydrophobicContact CG-CD2 4.38Å; F96-L151 HydrophobicContact CZ-CD1 3.35Å; F96-L151 HydrophobicContact CZ-CD2 3.75Å; F96-L151 HydrophobicContact CZ-CG 4.22Å; F96-Y156 HydrophobicContact CB-CE2 4.03Å; F96-Y156 WeakPolarHBondContact CB-OH 3.27Å; F96-Y156 HydrophobicContact CG-CE2 4.22Å |
| 97 | L | 89.4 | Confident | 85.3 | Confident | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.2 | -42.2 | 179 | -74.1 | 170.4 | 0 | 0 | 0 | 112.3 | L93 D95 G99 L100 I129 L131 M148 L180 | L93-L97 HydrophobicContact CG-CD1 4.27Å; L93-L97 VanDerWaalsContact O-CG 3.27Å; L93-L97 WeakPolarHBondContact O-CG 3.13Å; L93-L97 PolarHBondContact O-N 3.29Å; D95-L97 PolarHBondContact O-N 2.65Å; L97-G99 VanDerWaalsContact C-N 3.26Å; L97-G99 PolarHBondContact O-N 3.24Å; L97-L100 HydrophobicContact CD2-CD1 4.03Å; L97-I129 HydrophobicContact CD1-CB 4.49Å; L97-I129 HydrophobicContact CD1-CD1 3.86Å; L97-I129 HydrophobicContact CD1-CG2 4.5Å; L97-L131 HydrophobicContact CD2-CD2 4.04Å; L97-M148 HydrophobicContact CD2-CE 3.52Å; L97-M148 HydrophobicContact CD2-SD 4.36Å; L97-M148 HydrophobicContact CG-CE 4.35Å; L97-L180 HydrophobicContact CD1-CD1 3.58Å; L97-L180 HydrophobicContact CD2-CD1 3.88Å; L97-L180 HydrophobicContact CG-CD1 4.41Å |
| 98 | N | 84.1 | Confident | 85.2 | Confident | 42 Ų | 42 | 47.4 Ų | 47.4 | 23% | 0.225 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -69.1 | -24.1 | 175.2 | -73.2 | -48.2 | 0 | 0 | 0 | 112.9 | R94 D95 F96 C121 N259 | R94-N98 PolarHBondContact O-N 3.27Å; R94-N98 VanDerWaalsContact O-N 3.17Å; R94-N98 PolarHBondContact O-ND2 3.43Å; D95-N98 PolarHBondContact O-N 3.17Å; F96-N98 VanDerWaalsContact C-N 3.34Å; F96-N98 PolarHBondContact O-N 3.43Å; N98-C121 PolarHBondContact OD1-SG 3.13Å; N98-N259 PolarHBondContact OD1-ND2 2.9Å |
| 99 | G | 84.4 | Confident | 84.8 | Confident | 9 Ų | 9 | 45.8 Ų | 45.8 | 9% | 0.093 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -90.7 | -3.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | D95 F96 L97 D101 N102 L103 | D95-G99 PolarHBondContact O-N 3.49Å; F96-G99 CarbonylContact O-C 3.52Å; F96-G99 WeakPolarHBondContact O-CA 3.41Å; F96-G99 PolarHBondContact O-N 3.44Å; L97-G99 VanDerWaalsContact C-N 3.26Å; L97-G99 PolarHBondContact O-N 3.24Å; G99-D101 PolarHBondContact O-N 3.15Å; G99-N102 WeakPolarHBondContact O-CB 3.29Å; G99-N102 PolarHBondContact O-N 3.13Å; G99-N102 VanDerWaalsContact O-N 3.14Å; G99-L103 PolarHBondContact O-N 3.01Å |
| 100 | L | 88.3 | Confident | 84.6 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.6 | -41.4 | -173.9 | -78.5 | 174.2 | 0 | 0 | 0 | 113.6 | F96 L97 N102 L103 H104 F119 F144 W147 | F96-L100 HydrophobicContact CD1-CD2 4.24Å; F96-L100 HydrophobicContact CD1-CG 4.46Å; F96-L100 HydrophobicContact CE1-CD1 4.48Å; F96-L100 HydrophobicContact CE1-CD2 3.49Å; F96-L100 VanDerWaalsContact CE1-CD2 3.49Å; F96-L100 HydrophobicContact CE1-CG 4.13Å; F96-L100 HydrophobicContact CE2-CD2 4.44Å; F96-L100 HydrophobicContact CZ-CD2 3.59Å; F96-L100 PolarHBondContact O-N 3Å; F96-L100 VanDerWaalsContact O-N 3.16Å; L97-L100 HydrophobicContact CD2-CD1 4.03Å; L100-N102 VanDerWaalsContact C-N 3.28Å; L100-N102 PolarHBondContact O-N 2.92Å; L100-L103 WeakPolarHBondContact O-CB 3.48Å; L100-L103 PolarHBondContact O-N 3.41Å; L100-H104 PolarHBondContact O-N 3.04Å; L100-H104 VanDerWaalsContact O-N 3.11Å; L100-F119 HydrophobicContact CB-CB 4.26Å; L100-F119 HydrophobicContact CB-CD2 3.39Å; L100-F119 HydrophobicContact CB-CE2 3.88Å; L100-F119 HydrophobicContact CB-CG 4.04Å; L100-F119 HydrophobicContact CD1-CB 4.19Å; L100-F119 HydrophobicContact CD1-CD1 3.96Å; L100-F119 HydrophobicContact CD1-CD2 3.64Å; L100-F119 HydrophobicContact CD1-CE1 4.15Å; L100-F119 HydrophobicContact CD1-CE2 3.81Å; L100-F119 HydrophobicContact CD1-CG 3.68Å; L100-F119 HydrophobicContact CD1-CZ 4.08Å; L100-F119 HydrophobicContact CG-CD2 4.11Å; L100-F119 HydrophobicContact CG-CE2 4.31Å; L100-F144 HydrophobicContact CD1-CE2 4.46Å; L100-W147 HydrophobicContact CD2-CH2 3.67Å; L100-W147 HydrophobicContact CD2-CZ3 4.04Å |
| 101 | D | 85.6 | Confident | 84.7 | Confident | 14 Ų | 14 | 45.7 Ų | 45.7 | 8% | 0.075 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.9 | -33.3 | 179.2 | -75.7 | 9.4 | 0 | 0 | 0 | 111.1 | G99 H104 E105 S118 F119 I260 | G99-D101 PolarHBondContact O-N 3.15Å; D101-H104 PolarHBondContact O-N 2.8Å; D101-E105 PolarHBondContact O-N 2.78Å; D101-S118 VanDerWaalsContact OD1-CA 3.3Å; D101-S118 WeakPolarHBondContact OD1-CA 3.44Å; D101-S118 WeakPolarHBondContact OD2-CB 3.4Å; D101-S118 PolarHBondContact OD2-OG 2.93Å; D101-F119 WeakPolarHBondContact OD1-CD2 3.44Å; D101-F119 PolarHBondContact OD1-N 3.43Å; D101-F119 PolarHBondContact OD2-N 2.89Å; D101-I260 HydrophobicContact CB-CD1 4.21Å; D101-I260 HydrophobicContact CB-CG1 3.88Å; D101-I260 WeakPolarHBondContact OD2-CD1 3.24Å |
| 102 | N | 82.1 | Confident | 84.3 | Confident | 52 Ų | 52 | 38.8 Ų | 38.8 | 28% | 0.278 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -69.8 | -36.5 | 174.9 | -65.4 | -43.4 | 0 | 0 | 0 | 112.2 | G99 L100 H104 E105 F106 N259 | G99-N102 WeakPolarHBondContact O-CB 3.29Å; G99-N102 PolarHBondContact O-N 3.13Å; G99-N102 VanDerWaalsContact O-N 3.14Å; L100-N102 VanDerWaalsContact C-N 3.28Å; L100-N102 PolarHBondContact O-N 2.92Å; N102-H104 VanDerWaalsContact C-N 3.34Å; N102-E105 PolarHBondContact O-N 3.49Å; N102-F106 PolarHBondContact O-N 2.85Å; N102-N259 PolarHBondContact ND2-O 3.25Å |
| 103 | L | 85.5 | Confident | 84 | Confident | 11 Ų | 11 | 43.3 Ų | 43.3 | 6% | 0.058 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.3 | -46.8 | 171.1 | 171.9 | 62.7 | 0 | 0 | 0 | 110.9 | I85 L86 L89 G99 L100 E105 F106 L107 | I85-L103 HydrophobicContact CG2-CD1 3.64Å; L86-L103 HydrophobicContact CD2-CD2 3.84Å; L89-L103 HydrophobicContact CD1-CB 3.86Å; L89-L103 HydrophobicContact CD1-CD1 3.98Å; L89-L103 HydrophobicContact CD1-CD2 3.68Å; L89-L103 HydrophobicContact CD1-CG 4.01Å; L89-L103 HydrophobicContact CD2-CB 4.02Å; G99-L103 PolarHBondContact O-N 3.01Å; L100-L103 WeakPolarHBondContact O-CB 3.48Å; L100-L103 PolarHBondContact O-N 3.41Å; L103-E105 VanDerWaalsContact C-N 3.27Å; L103-E105 PolarHBondContact O-N 2.78Å; L103-F106 WeakPolarHBondContact O-CB 3.1Å; L103-F106 PolarHBondContact O-N 2.83Å; L103-L107 HydrophobicContact CD1-CD1 4.46Å; L103-L107 HydrophobicContact CD1-CG 4.32Å; L103-L107 HydrophobicContact CG-CD1 4.34Å; L103-L107 WeakPolarHBondContact O-CG 3.24Å; L103-L107 PolarHBondContact O-N 2.89Å |
| 104 | H | 85.7 | Confident | 83.8 | Confident | 28 Ų | 28 | 44.6 Ų | 44.6 | 13% | 0.13 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.6 | -37 | 178.5 | -72.2 | 157.6 | 0 | 0 | 0 | 112.7 | L100 D101 N102 L107 R108 P116 P117 F119 | L100-H104 PolarHBondContact O-N 3.04Å; L100-H104 VanDerWaalsContact O-N 3.11Å; D101-H104 PolarHBondContact O-N 2.8Å; N102-H104 VanDerWaalsContact C-N 3.34Å; H104-L107 PolarHBondContact O-N 2.95Å; H104-R108 PolarHBondContact O-N 2.81Å; H104-P116 HydrophobicContact CB-CB 3.54Å; H104-P116 HydrophobicContact CB-CG 3.81Å; H104-P116 VanDerWaalsContact ND1-CB 3.33Å; H104-P116 WeakPolarHBondContact ND1-CB 3.29Å; H104-P117 PolarHBondContact ND1-O 3.18Å; H104-F119 AromaticContact CE1-CE2 3.6Å |
| 105 | E | 79.1 | Confident | 83.6 | Confident | 33 Ų | 33 | 49.7 Ų | 49.7 | 15% | 0.154 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.7 | -40.5 | 175 | -170.3 | 57.7 | -164 | 0 | 0 | 111.7 | D101 N102 L103 L107 R108 R244 | D101-E105 PolarHBondContact O-N 2.78Å; N102-E105 PolarHBondContact O-N 3.49Å; L103-E105 VanDerWaalsContact C-N 3.27Å; L103-E105 PolarHBondContact O-N 2.78Å; E105-L107 VanDerWaalsContact C-N 3.32Å; E105-L107 PolarHBondContact O-N 3.14Å; E105-R108 WeakPolarHBondContact O-CB 3.36Å; E105-R108 PolarHBondContact O-N 2.68Å; E105-R108 VanDerWaalsContact O-N 3.11Å; E105-R108 IonicContact OE2-NH1 3.99Å; E105-R108 PolarHBondContact OE2-NH1 3.12Å; E105-R244 WeakPolarHBondContact OE1-CD 3.42Å; E105-R244 IonicContact OE1-CZ 3.94Å; E105-R244 IonicContact OE1-NE 3.93Å; E105-R244 IonicContact OE1-NH1 3.48Å; E105-R244 PolarHBondContact OE1-NH1 2.98Å; E105-R244 IonicContact OE2-NH1 3.07Å |
| 106 | F | 81.3 | Confident | 83.6 | Confident | 112 Ų | 112 | 48.7 Ų | 48.7 | 49% | 0.491 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -58.4 | -44 | 172 | 175.6 | -95 | 0 | 0 | 0 | 112 | I85 N102 L103 R108 S109 | I85-F106 HydrophobicContact CD1-CE1 3.71Å; I85-F106 HydrophobicContact CD1-CZ 4.31Å; N102-F106 PolarHBondContact O-N 2.85Å; L103-F106 WeakPolarHBondContact O-CB 3.1Å; L103-F106 PolarHBondContact O-N 2.83Å; F106-R108 PolarHBondContact O-N 3.21Å; F106-R108 VanDerWaalsContact O-N 3.15Å; F106-S109 WeakPolarHBondContact O-CB 3.16Å; F106-S109 PolarHBondContact O-N 3.06Å; F106-S109 PolarHBondContact O-OG 3.47Å |
| 107 | L | 83.6 | Confident | 83.6 | Confident | 21 Ų | 21 | 49.8 Ų | 49.8 | 11% | 0.11 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.4 | -19.7 | 178.7 | -71.7 | 177.1 | 0 | 0 | 0 | 113.1 | Y82 L103 H104 E105 S109 S110 Y111 I114 | Y82-L107 HydrophobicContact CD1-CD2 4.29Å; Y82-L107 HydrophobicContact CE1-CD2 3.7Å; L103-L107 HydrophobicContact CD1-CD1 4.46Å; L103-L107 HydrophobicContact CD1-CG 4.32Å; L103-L107 HydrophobicContact CG-CD1 4.34Å; L103-L107 WeakPolarHBondContact O-CG 3.24Å; L103-L107 PolarHBondContact O-N 2.89Å; H104-L107 PolarHBondContact O-N 2.95Å; E105-L107 VanDerWaalsContact C-N 3.32Å; E105-L107 PolarHBondContact O-N 3.14Å; L107-S109 PolarHBondContact O-N 3.33Å; L107-S110 CarbonylContact O-C 3.57Å; L107-S110 PolarHBondContact O-N 3.11Å; L107-Y111 HydrophobicContact CB-CD2 4.3Å; L107-Y111 HydrophobicContact CD2-CE2 4.4Å; L107-Y111 WeakPolarHBondContact O-CD2 3.43Å; L107-Y111 PolarHBondContact O-N 3.39Å; L107-I114 HydrophobicContact CB-CD1 4.38Å |
| 108 | R | 81.3 | Confident | 83.5 | Confident | 69 Ų | 69 | 50.9 Ų | 50.9 | 26% | 0.26 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -23.7 | 178 | -157.3 | 175.4 | -132.7 | 140.9 | -4.1 | 113.2 | H104 E105 F106 S110 Y111 P112 I114 | H104-R108 PolarHBondContact O-N 2.81Å; E105-R108 WeakPolarHBondContact O-CB 3.36Å; E105-R108 PolarHBondContact O-N 2.68Å; E105-R108 VanDerWaalsContact O-N 3.11Å; E105-R108 IonicContact OE2-NH1 3.99Å; E105-R108 PolarHBondContact OE2-NH1 3.12Å; F106-R108 PolarHBondContact O-N 3.21Å; F106-R108 VanDerWaalsContact O-N 3.15Å; R108-S110 VanDerWaalsContact C-N 3.3Å; R108-S110 PolarHBondContact O-N 3.33Å; R108-Y111 CarbonylContact O-C 3.4Å; R108-P112 VanDerWaalsContact O-CA 3.24Å; R108-P112 WeakPolarHBondContact O-CA 3.4Å; R108-I114 HydrophobicContact CB-CG2 4.16Å; R108-I114 HydrophobicContact CG-CG2 4.07Å |
| 109 | S | 75.8 | Confident | 83.7 | Confident | 90 Ų | 90 | 49.4 Ų | 49.4 | 63% | 0.629 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -42 | 170.1 | 62.6 | 0 | 0 | 0 | 0 | 112 | F106 L107 | F106-S109 WeakPolarHBondContact O-CB 3.16Å; F106-S109 PolarHBondContact O-N 3.06Å; F106-S109 PolarHBondContact O-OG 3.47Å; L107-S109 PolarHBondContact O-N 3.33Å |
| 110 | S | 78.6 | Confident | 83.7 | Confident | 46 Ų | 46 | 50.7 Ų | 50.7 | 32% | 0.322 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -28.5 | 179.5 | -62.8 | 0 | 0 | 0 | 0 | 112.8 | L107 R108 | L107-S110 CarbonylContact O-C 3.57Å; L107-S110 PolarHBondContact O-N 3.11Å; R108-S110 VanDerWaalsContact C-N 3.3Å; R108-S110 PolarHBondContact O-N 3.33Å |
| 111 | Y | 84.6 | Confident | 83.6 | Confident | 8 Ų | 8 | 51.8 Ų | 51.8 | 3% | 0.031 | 26% | 0.263 | C | S | . | . | trans | -129.4 | 74.8 | -175.9 | -58 | -79.3 | 0 | 0 | 0 | 110.5 | Y2 R39 Y82 L107 R108 K113 I114 | Y2-Y111 AromaticContact CD1-CD1 3.73Å; Y2-Y111 HydrophobicContact CD1-CD1 3.73Å; Y2-Y111 HydrophobicContact CD1-CE1 4.38Å; Y2-Y111 AromaticContact CD2-CD1 3.96Å; Y2-Y111 HydrophobicContact CD2-CD1 3.96Å; Y2-Y111 HydrophobicContact CD2-CG 4.36Å; Y2-Y111 AromaticContact CE1-CD1 3.95Å; Y2-Y111 HydrophobicContact CE1-CD1 3.95Å; Y2-Y111 HydrophobicContact CE2-CD1 4.19Å; Y2-Y111 HydrophobicContact CE2-CG 4.39Å; Y2-Y111 AromaticContact CG-CD1 3.73Å; Y2-Y111 HydrophobicContact CG-CD1 3.73Å; Y2-Y111 HydrophobicContact CG-CE1 4.44Å; R39-Y111 HydrophobicContact CG-CE1 4.12Å; Y82-Y111 PolarHBondContact OH-OH 2.97Å; L107-Y111 HydrophobicContact CB-CD2 4.3Å; L107-Y111 HydrophobicContact CD2-CE2 4.4Å; L107-Y111 WeakPolarHBondContact O-CD2 3.43Å; L107-Y111 PolarHBondContact O-N 3.39Å; R108-Y111 CarbonylContact O-C 3.4Å; Y111-K113 PolarHBondContact O-N 3.06Å; Y111-I114 VanDerWaalsContact O-CB 3.27Å; Y111-I114 WeakPolarHBondContact O-CB 3.48Å; Y111-I114 WeakPolarHBondContact O-CG2 3.4Å; Y111-I114 PolarHBondContact O-N 3.41Å | ||
| 112 | P | 78.6 | Confident | 83.6 | Confident | 84 Ų | 84 | 55 Ų | 55 | 55% | 0.545 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -33.5 | -170.5 | -29.1 | 35.8 | 0 | 0 | 0 | 115.1 | R108 | R108-P112 VanDerWaalsContact O-CA 3.24Å; R108-P112 WeakPolarHBondContact O-CA 3.4Å |
| 113 | K | 82.2 | Confident | 83.7 | Confident | 166 Ų | 166 | 57.6 Ų | 57.6 | 72% | 0.722 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | 17.3 | -178.3 | -59.8 | -176.1 | -179.9 | 179.9 | 0 | 113 | Y2 Y111 R115 | Y2-K113 HydrophobicContact CE2-CB 4.24Å; Y2-K113 PolarHBondContact OH-N 2.78Å; Y2-K113 VanDerWaalsContact OH-N 3.1Å; Y111-K113 PolarHBondContact O-N 3.06Å; K113-R115 PolarHBondContact O-N 2.97Å |
| 114 | I | 85.6 | Confident | 83.8 | Confident | 30 Ų | 30 | 58.7 Ų | 58.7 | 15% | 0.154 | 30% | 0.301 | C | S | . | . | trans | -62.8 | 135.7 | -178.8 | -165.2 | 170.2 | 0 | 0 | 0 | 109.4 | Y2 L107 R108 Y111 P116 | Y2-I114 HydrophobicContact CE2-CB 4.31Å; L107-I114 HydrophobicContact CB-CD1 4.38Å; R108-I114 HydrophobicContact CB-CG2 4.16Å; R108-I114 HydrophobicContact CG-CG2 4.07Å; Y111-I114 VanDerWaalsContact O-CB 3.27Å; Y111-I114 WeakPolarHBondContact O-CB 3.48Å; Y111-I114 WeakPolarHBondContact O-CG2 3.4Å; Y111-I114 PolarHBondContact O-N 3.41Å; I114-P116 VanDerWaalsContact C-CD 3.45Å; I114-P116 VanDerWaalsContact O-CD 3.31Å; I114-P116 WeakPolarHBondContact O-CD 3.13Å | ||
| 115 | R | 83.9 | Confident | 84 | Confident | 169 Ų | 169 | 59.2 Ų | 59.2 | 64% | 0.638 | 31% | 0.308 | S | S | * | . | trans | -115 | 80.1 | 172.7 | -68.6 | -177 | 178.3 | 177.4 | -1.1 | 107.4 | K113 R137 | K113-R115 PolarHBondContact O-N 2.97Å; R115-R137 PolarHBondContact O-NH1 3.41Å | ||
| 116 | P | 87.3 | Confident | 84.4 | Confident | 37 Ų | 37 | 65.7 Ų | 65.7 | 24% | 0.24 | 33% | 0.331 | C | S | . | . | trans | -75.1 | 156.9 | -177.1 | 30.9 | -33.5 | 0 | 0 | 0 | 111 | H104 I114 | H104-P116 HydrophobicContact CB-CB 3.54Å; H104-P116 HydrophobicContact CB-CG 3.81Å; H104-P116 VanDerWaalsContact ND1-CB 3.33Å; H104-P116 WeakPolarHBondContact ND1-CB 3.29Å; I114-P116 VanDerWaalsContact C-CD 3.45Å; I114-P116 VanDerWaalsContact O-CD 3.31Å; I114-P116 WeakPolarHBondContact O-CD 3.13Å | ||
| 117 | P | 89.4 | Confident | 84.9 | Confident | 24 Ų | 24 | 65.2 Ų | 65.2 | 16% | 0.156 | 34% | 0.338 | C | S | . | . | trans | -69.8 | 162.1 | 160.2 | 32.9 | -33.8 | 0 | 0 | 0 | 110.5 | H104 F119 Y133 R134 | H104-P117 PolarHBondContact ND1-O 3.18Å; P117-F119 HydrophobicContact CB-CZ 4.48Å; P117-F119 HydrophobicContact CG-CE2 3.98Å; P117-F119 HydrophobicContact CG-CZ 3.9Å; P117-Y133 HydrophobicContact CB-CD2 4.11Å; P117-Y133 HydrophobicContact CB-CE2 3.35Å; P117-Y133 HydrophobicContact CG-CE2 3.75Å; P117-R134 CarbonylContact C-O 3.56Å; P117-R134 WeakPolarHBondContact CA-O 3.3Å; P117-R134 VanDerWaalsContact CB-O 3.31Å; P117-R134 WeakPolarHBondContact CB-O 3.43Å | ||
| 118 | S | 86.5 | Confident | 85.2 | Confident | 23 Ų | 23 | 64.5 Ų | 64.5 | 16% | 0.161 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 144.6 | 173 | 174.4 | 0 | 0 | 0 | 0 | 110.4 | D101 R134 | D101-S118 VanDerWaalsContact OD1-CA 3.3Å; D101-S118 WeakPolarHBondContact OD1-CA 3.44Å; D101-S118 WeakPolarHBondContact OD2-CB 3.4Å; D101-S118 PolarHBondContact OD2-OG 2.93Å; S118-R134 PolarHBondContact N-O 3.41Å; S118-R134 PolarHBondContact O-N 3.35Å |
| 119 | F | 88.7 | Confident | 85.8 | Confident | 11 Ų | 11 | 61.2 Ų | 61.2 | 5% | 0.048 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 130.5 | -177.8 | -58.6 | -82.3 | 0 | 0 | 0 | 110.9 | L100 D101 H104 P117 L131 Q132 Y133 F144 | L100-F119 HydrophobicContact CB-CB 4.26Å; L100-F119 HydrophobicContact CB-CD2 3.39Å; L100-F119 HydrophobicContact CB-CE2 3.88Å; L100-F119 HydrophobicContact CB-CG 4.04Å; L100-F119 HydrophobicContact CD1-CB 4.19Å; L100-F119 HydrophobicContact CD1-CD1 3.96Å; L100-F119 HydrophobicContact CD1-CD2 3.64Å; L100-F119 HydrophobicContact CD1-CE1 4.15Å; L100-F119 HydrophobicContact CD1-CE2 3.81Å; L100-F119 HydrophobicContact CD1-CG 3.68Å; L100-F119 HydrophobicContact CD1-CZ 4.08Å; L100-F119 HydrophobicContact CG-CD2 4.11Å; L100-F119 HydrophobicContact CG-CE2 4.31Å; D101-F119 WeakPolarHBondContact OD1-CD2 3.44Å; D101-F119 PolarHBondContact OD1-N 3.43Å; D101-F119 PolarHBondContact OD2-N 2.89Å; H104-F119 AromaticContact CE1-CE2 3.6Å; P117-F119 HydrophobicContact CB-CZ 4.48Å; P117-F119 HydrophobicContact CG-CE2 3.98Å; P117-F119 HydrophobicContact CG-CZ 3.9Å; F119-L131 HydrophobicContact CB-CD1 4.27Å; F119-L131 HydrophobicContact CD1-CD2 3.81Å; F119-L131 HydrophobicContact CD1-CG 4.47Å; F119-L131 HydrophobicContact CE1-CD2 4.49Å; F119-Q132 WeakPolarHBondContact CA-O 3.09Å; F119-Y133 AromaticContact CD1-CD2 3.92Å; F119-Y133 HydrophobicContact CD1-CD2 3.92Å; F119-Y133 AromaticContact CE1-CD2 3.37Å; F119-Y133 HydrophobicContact CE1-CD2 3.37Å; F119-Y133 AromaticContact CE1-CE2 3.8Å; F119-Y133 HydrophobicContact CE1-CE2 3.8Å; F119-Y133 HydrophobicContact CZ-CD2 4.05Å; F119-Y133 HydrophobicContact CZ-CE2 4.03Å; F119-F144 HydrophobicContact CD1-CE2 4.04Å; F119-F144 AromaticContact CD1-CZ 3.97Å; F119-F144 HydrophobicContact CD1-CZ 3.97Å; F119-F144 AromaticContact CE1-CD2 3.61Å; F119-F144 HydrophobicContact CE1-CD2 3.61Å; F119-F144 HydrophobicContact CE1-CE1 4.15Å; F119-F144 AromaticContact CE1-CE2 3.06Å; F119-F144 HydrophobicContact CE1-CE2 3.06Å; F119-F144 HydrophobicContact CE1-CG 4.33Å; F119-F144 AromaticContact CE1-CZ 3.36Å; F119-F144 HydrophobicContact CE1-CZ 3.36Å; F119-F144 AromaticContact CZ-CD2 3.74Å; F119-F144 HydrophobicContact CZ-CD2 3.74Å; F119-F144 AromaticContact CZ-CE2 3.42Å; F119-F144 HydrophobicContact CZ-CE2 3.42Å; F119-F144 VanDerWaalsContact CZ-CE2 3.42Å; F119-F144 HydrophobicContact CZ-CZ 4.18Å |
| 120 | F | 85 | Confident | 86.6 | Confident | 37 Ų | 37 | 58.1 Ų | 58.1 | 16% | 0.162 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 123.4 | 177.5 | -176 | -100.5 | 0 | 0 | 0 | 111.1 | V122 Q132 L256 | F120-V122 HydrophobicContact CD1-CG2 3.95Å; F120-V122 HydrophobicContact CE1-CG2 4.38Å; F120-V122 PolarHBondContact O-N 2.93Å; F120-Q132 HydrophobicContact CB-CB 4.32Å; F120-Q132 PolarHBondContact N-O 2.84Å; F120-Q132 PolarHBondContact O-N 2.93Å; F120-L256 VanDerWaalsContact CD2-O 3.29Å; F120-L256 WeakPolarHBondContact CD2-O 3.27Å |
| 121 | C | 85.6 | Confident | 87.3 | Confident | 22 Ų | 22 | 55.9 Ų | 55.9 | 15% | 0.149 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 108.5 | 174.9 | -65.6 | 0 | 0 | 0 | 0 | 109 | N98 I129 | N98-C121 PolarHBondContact OD1-SG 3.13Å; C121-I129 HydrophobicContact CB-CG2 4.23Å |
| 122 | V | 85.1 | Confident | 87.5 | Confident | 82 Ų | 82 | 56.1 Ų | 56.1 | 50% | 0.497 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | -42.5 | -177.7 | 179.7 | 0 | 0 | 0 | 0 | 111.1 | F120 T130 Q132 | F120-V122 HydrophobicContact CD1-CG2 3.95Å; F120-V122 HydrophobicContact CE1-CG2 4.38Å; F120-V122 PolarHBondContact O-N 2.93Å; V122-T130 HydrophobicContact CB-CG2 4.36Å; V122-T130 PolarHBondContact N-O 3.27Å; V122-Q132 HydrophobicContact CG2-CB 3.79Å |
| 123 | N | 84.7 | Confident | 88.2 | Confident | 107 Ų | 107 | 52.7 Ų | 52.7 | 57% | 0.572 | 26% | 0.262 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 147 | 180 | -166.2 | 15.8 | 0 | 0 | 0 | 110 | I129 T130 | N123-I129 WeakPolarHBondContact O-CA 3.24Å; N123-T130 PolarHBondContact O-N 2.62Å |
| 124 | E | 87.9 | Confident | 88.4 | Confident | 33 Ų | 33 | 45.7 Ų | 45.7 | 15% | 0.154 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 144.8 | 179 | -178.7 | 175.1 | -176.4 | 0 | 0 | 109.7 | R94 I129 N184 F187 | R94-E124 VanDerWaalsContact CD-OE1 3.29Å; R94-E124 WeakPolarHBondContact CD-OE1 3.33Å; R94-E124 IonicContact CZ-OE1 3.11Å; R94-E124 IonicContact CZ-OE2 3.01Å; R94-E124 IonicContact NE-OE1 2.66Å; R94-E124 IonicContact NE-OE2 3.98Å; R94-E124 IonicContact NH1-OE1 2.7Å; R94-E124 PolarHBondContact NH1-OE1 3.41Å; R94-E124 IonicContact NH1-OE2 3.85Å; R94-E124 PolarHBondContact NH1-OE2 3.35Å; R94-E124 IonicContact NH2-OE2 3.97Å; R94-E124 PolarHBondContact NH2-OE2 2.87Å; E124-I129 HydrophobicContact CB-CG1 4.16Å; E124-I129 HydrophobicContact CG-CD1 4.19Å; E124-I129 HydrophobicContact CG-CG1 3.78Å; E124-N184 WeakPolarHBondContact CG-ND2 3.42Å; E124-N184 PolarHBondContact OE1-ND2 3.23Å; E124-F187 HydrophobicContact CB-CD2 4.25Å; E124-F187 HydrophobicContact CB-CE2 4.26Å; E124-F187 HydrophobicContact CG-CD2 3.55Å; E124-F187 HydrophobicContact CG-CE2 4.06Å; E124-F187 HydrophobicContact CG-CG 4.4Å |
| 125 | S | 89.3 | Confident | 88.6 | Confident | 40 Ų | 40 | 44.5 Ų | 44.5 | 28% | 0.28 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 172.3 | 177.4 | 67.8 | 0 | 0 | 0 | 0 | 110 | T127 G128 N184 | S125-T127 PolarHBondContact O-N 2.99Å; S125-T127 PolarHBondContact OG-N 3.43Å; S125-T127 PolarHBondContact OG-OG1 3.4Å; S125-G128 PolarHBondContact N-O 3.32Å; S125-G128 PolarHBondContact O-N 2.99Å; S125-G128 VanDerWaalsContact O-O 3.12Å; S125-G128 PolarHBondContact OG-N 3.28Å; S125-G128 PolarHBondContact OG-O 2.87Å; S125-N184 WeakPolarHBondContact O-CB 3.44Å; S125-N184 PolarHBondContact O-ND2 2.82Å; S125-N184 VanDerWaalsContact O-ND2 3.17Å |
| 126 | R | 88.4 | Confident | 88.7 | Confident | 168 Ų | 168 | 41.8 Ų | 41.8 | 63% | 0.634 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -24.9 | 173.3 | -65.1 | -171.6 | 179 | -156.7 | 0.4 | 113.6 | N184 F187 | R126-N184 PolarHBondContact O-N 3.31Å; R126-F187 HydrophobicContact CG-CB 4.43Å; R126-F187 HydrophobicContact CG-CD1 3.75Å |
| 127 | T | 90.1 | Very high | 88.7 | Confident | 102 Ų | 102 | 42.1 Ų | 42.1 | 63% | 0.626 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.8 | -1.5 | -176.9 | 55.9 | 0 | 0 | 0 | 0 | 113.7 | S125 F182 | S125-T127 PolarHBondContact O-N 2.99Å; S125-T127 PolarHBondContact OG-N 3.43Å; S125-T127 PolarHBondContact OG-OG1 3.4Å; T127-F182 CarbonylContact C-O 3.56Å; T127-F182 PolarHBondContact O-N 2.88Å; T127-F182 VanDerWaalsContact O-N 3.12Å |
| 128 | G | 91.7 | Very high | 88.4 | Confident | 6 Ų | 6 | 45.7 Ų | 45.7 | 6% | 0.062 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 151.1 | -173 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115 | S125 L180 F182 | S125-G128 PolarHBondContact N-O 3.32Å; S125-G128 PolarHBondContact O-N 2.99Å; S125-G128 VanDerWaalsContact O-O 3.12Å; S125-G128 PolarHBondContact OG-N 3.28Å; S125-G128 PolarHBondContact OG-O 2.87Å; G128-L180 CarbonylContact C-O 3.57Å; G128-L180 WeakPolarHBondContact CA-O 3.33Å; G128-F182 PolarHBondContact N-O 2.98Å |
| 129 | I | 93.4 | Very high | 88.4 | Confident | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 138.5 | -177.3 | -69.4 | 172.7 | 0 | 0 | 0 | 109.9 | R94 L97 C121 N123 E124 L180 F182 | R94-I129 HydrophobicContact CB-CD1 3.76Å; L97-I129 HydrophobicContact CD1-CB 4.49Å; L97-I129 HydrophobicContact CD1-CD1 3.86Å; L97-I129 HydrophobicContact CD1-CG2 4.5Å; C121-I129 HydrophobicContact CB-CG2 4.23Å; N123-I129 WeakPolarHBondContact O-CA 3.24Å; E124-I129 HydrophobicContact CB-CG1 4.16Å; E124-I129 HydrophobicContact CG-CD1 4.19Å; E124-I129 HydrophobicContact CG-CG1 3.78Å; I129-L180 PolarHBondContact N-O 3.14Å; I129-L180 WeakPolarHBondContact O-CB 3.31Å; I129-L180 PolarHBondContact O-N 3.09Å; I129-F182 HydrophobicContact CB-CE1 4.26Å; I129-F182 HydrophobicContact CD1-CE1 4.2Å; I129-F182 HydrophobicContact CD1-CZ 3.82Å; I129-F182 HydrophobicContact CG1-CE1 4.1Å; I129-F182 HydrophobicContact CG1-CZ 4.05Å |
| 130 | T | 92.9 | Very high | 88.5 | Confident | 24 Ų | 24 | 46.6 Ų | 46.6 | 15% | 0.147 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 111.9 | 166.6 | -56.7 | 0 | 0 | 0 | 0 | 108.7 | V122 N123 I177 L178 | V122-T130 HydrophobicContact CB-CG2 4.36Å; V122-T130 PolarHBondContact N-O 3.27Å; N123-T130 PolarHBondContact O-N 2.62Å; T130-I177 HydrophobicContact CG2-CG2 3.7Å; T130-L178 CarbonylContact C-O 3.52Å; T130-L178 WeakPolarHBondContact CA-O 3.39Å |
| 131 | L | 92.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 132.6 | -177.2 | -168.6 | 74.2 | 0 | 0 | 0 | 110.3 | L97 F119 F144 L178 L180 | L97-L131 HydrophobicContact CD2-CD2 4.04Å; F119-L131 HydrophobicContact CB-CD1 4.27Å; F119-L131 HydrophobicContact CD1-CD2 3.81Å; F119-L131 HydrophobicContact CD1-CG 4.47Å; F119-L131 HydrophobicContact CE1-CD2 4.49Å; L131-F144 HydrophobicContact CD2-CE1 4.01Å; L131-F144 HydrophobicContact CD2-CZ 3.66Å; L131-L178 PolarHBondContact N-O 3.25Å; L131-L178 PolarHBondContact O-N 3.45Å; L131-L180 HydrophobicContact CB-CD1 4.09Å; L131-L180 HydrophobicContact CB-CG 4.34Å; L131-L180 HydrophobicContact CD2-CD1 4.15Å |
| 132 | Q | 90.3 | Very high | 89.3 | Confident | 13 Ų | 13 | 45.3 Ų | 45.3 | 6% | 0.061 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 116.7 | 172 | -170.4 | -175.3 | 20.7 | 0 | 0 | 109 | F119 F120 V122 R134 E175 | F119-Q132 WeakPolarHBondContact CA-O 3.09Å; F120-Q132 HydrophobicContact CB-CB 4.32Å; F120-Q132 PolarHBondContact N-O 2.84Å; F120-Q132 PolarHBondContact O-N 2.93Å; V122-Q132 HydrophobicContact CG2-CB 3.79Å; Q132-R134 HydrophobicContact CG-CG 4.43Å; Q132-E175 HydrophobicContact CG-CG 3.92Å; Q132-E175 PolarHBondContact NE2-OE1 2.81Å |
| 133 | Y | 91.2 | Very high | 89.8 | Confident | 11 Ų | 11 | 42.4 Ų | 42.4 | 4% | 0.043 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 123.7 | 176.8 | 174.3 | -100.4 | 0 | 0 | 0 | 110.1 | P117 F119 V141 E175 T176 | P117-Y133 HydrophobicContact CB-CD2 4.11Å; P117-Y133 HydrophobicContact CB-CE2 3.35Å; P117-Y133 HydrophobicContact CG-CE2 3.75Å; F119-Y133 AromaticContact CD1-CD2 3.92Å; F119-Y133 HydrophobicContact CD1-CD2 3.92Å; F119-Y133 AromaticContact CE1-CD2 3.37Å; F119-Y133 HydrophobicContact CE1-CD2 3.37Å; F119-Y133 AromaticContact CE1-CE2 3.8Å; F119-Y133 HydrophobicContact CE1-CE2 3.8Å; F119-Y133 HydrophobicContact CZ-CD2 4.05Å; F119-Y133 HydrophobicContact CZ-CE2 4.03Å; Y133-V141 HydrophobicContact CD1-CG2 3.86Å; Y133-V141 HydrophobicContact CE1-CG2 3.87Å; Y133-E175 CarbonylContact O-C 3.48Å; Y133-E175 WeakPolarHBondContact O-CA 3.22Å; Y133-T176 PolarHBondContact N-O 3.41Å; Y133-T176 PolarHBondContact O-N 2.96Å |
| 134 | R | 87.1 | Confident | 90.2 | Very high | 19 Ų | 19 | 37.6 Ų | 37.6 | 7% | 0.072 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 130.7 | 176.6 | -59.9 | -174.9 | -163.6 | 156.8 | 12.4 | 110.7 | P117 S118 Q132 V174 E175 H257 | P117-R134 CarbonylContact C-O 3.56Å; P117-R134 WeakPolarHBondContact CA-O 3.3Å; P117-R134 VanDerWaalsContact CB-O 3.31Å; P117-R134 WeakPolarHBondContact CB-O 3.43Å; S118-R134 PolarHBondContact N-O 3.41Å; S118-R134 PolarHBondContact O-N 3.35Å; Q132-R134 HydrophobicContact CG-CG 4.43Å; R134-V174 WeakPolarHBondContact CA-O 3.21Å; R134-E175 HydrophobicContact CG-CB 4.39Å; R134-E175 HydrophobicContact CG-CG 4.13Å; R134-H257 PolarHBondContact NH1-CE1 3.04Å; R134-H257 PolarHBondContact NH1-NE2 3.41Å |
| 135 | S | 89.7 | Confident | 90.6 | Very high | 5 Ų | 5 | 36.5 Ų | 36.5 | 4% | 0.035 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 146.5 | 180 | -175.1 | 0 | 0 | 0 | 0 | 111.6 | R137 Q173 V174 | S135-R137 WeakPolarHBondContact CB-O 3.41Å; S135-R137 PolarHBondContact OG-N 3.38Å; S135-R137 PolarHBondContact OG-O 3.32Å; S135-R137 VanDerWaalsContact OG-O 3.1Å; S135-Q173 WeakPolarHBondContact O-CA 3.42Å; S135-V174 PolarHBondContact N-O 2.85Å; S135-V174 VanDerWaalsContact N-O 3.1Å; S135-V174 PolarHBondContact O-N 3.02Å |
| 136 | H | 85.6 | Confident | 90.9 | Very high | 112 Ų | 112 | 34.6 Ų | 34.6 | 52% | 0.519 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -75.1 | -14 | 165 | -69.3 | -74.7 | 0 | 0 | 0 | 112.5 | K172 Q173 | H136-K172 PolarHBondContact ND1-O 2.81Å; H136-Q173 WeakPolarHBondContact CE1-CG 3.43Å; H136-Q173 PolarHBondContact CE1-NE2 3.28Å; H136-Q173 VanDerWaalsContact CE1-NE2 3.27Å; H136-Q173 VanDerWaalsContact ND1-CG 3.35Å; H136-Q173 WeakPolarHBondContact ND1-CG 3.39Å; H136-Q173 PolarHBondContact NE2-NE2 2.95Å |
| 137 | R | 87.8 | Confident | 91.1 | Very high | 45 Ų | 45 | 27.8 Ų | 27.8 | 17% | 0.17 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -104.2 | 125.2 | 179.3 | -58.5 | -175 | -179.1 | 104.4 | 4.2 | 110.2 | E44 R115 S135 F140 | E44-R137 IonicContact OE1-CZ 2.83Å; E44-R137 IonicContact OE1-NE 3.19Å; E44-R137 IonicContact OE1-NH2 3.93Å; E44-R137 PolarHBondContact OE1-NH2 3.46Å; E44-R137 IonicContact OE2-CZ 2.92Å; E44-R137 IonicContact OE2-NE 2.84Å; E44-R137 PolarHBondContact OE2-NE 3.15Å; E44-R137 IonicContact OE2-NH2 3.63Å; E44-R137 PolarHBondContact OE2-NH2 3.09Å; R115-R137 PolarHBondContact O-NH1 3.41Å; S135-R137 WeakPolarHBondContact CB-O 3.41Å; S135-R137 PolarHBondContact OG-N 3.38Å; S135-R137 PolarHBondContact OG-O 3.32Å; S135-R137 VanDerWaalsContact OG-O 3.1Å; R137-F140 HydrophobicContact CB-CD2 3.52Å; R137-F140 HydrophobicContact CB-CE2 3.63Å; R137-F140 HydrophobicContact CG-CE2 4.29Å |
| 138 | T | 84.3 | Confident | 91.3 | Very high | 98 Ų | 98 | 22.9 Ų | 22.9 | 60% | 0.601 | 13% | 0.125 | S | C | * | . | S | Bend | trans | -81.4 | 155.6 | 174.6 | 51.5 | 0 | 0 | 0 | 0 | 111.4 | F140 V174 | T138-F140 VanDerWaalsContact C-N 3.35Å; T138-F140 WeakPolarHBondContact O-CD2 3.19Å; T138-F140 PolarHBondContact O-N 3.46Å; T138-V174 HydrophobicContact CG2-CB 4.45Å; T138-V174 HydrophobicContact CG2-CG2 3.63Å |
| 139 | G | 85.2 | Confident | 91.5 | Very high | 32 Ų | 32 | 24.4 Ų | 24.4 | 33% | 0.33 | 13% | 0.133 | S | C | . | . | S | Bend | trans | 78.8 | 4.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | K66 | K66-G139 WeakPolarHBondContact CD-O 3.49Å; K66-G139 WeakPolarHBondContact CE-O 3.43Å; K66-G139 PolarHBondContact NZ-O 3.48Å |
| 140 | F | 90.7 | Very high | 91.6 | Very high | 21 Ų | 21 | 26.6 Ų | 26.6 | 9% | 0.092 | 14% | 0.143 | C | C | . | . | trans | -89.9 | -4.8 | 177.1 | -76.4 | -91.1 | 0 | 0 | 0 | 114.3 | M1 L5 L47 R137 T138 F143 F144 | M1-F140 HydrophobicContact CE-CE1 4.12Å; M1-F140 HydrophobicContact CE-CE2 4.19Å; M1-F140 HydrophobicContact CE-CZ 3.44Å; M1-F140 VanDerWaalsContact CE-CZ 3.44Å; L5-F140 HydrophobicContact CD1-CE1 4.26Å; L47-F140 HydrophobicContact CD2-CE1 3.71Å; L47-F140 HydrophobicContact CD2-CZ 3.81Å; R137-F140 HydrophobicContact CB-CD2 3.52Å; R137-F140 HydrophobicContact CB-CE2 3.63Å; R137-F140 HydrophobicContact CG-CE2 4.29Å; T138-F140 VanDerWaalsContact C-N 3.35Å; T138-F140 WeakPolarHBondContact O-CD2 3.19Å; T138-F140 PolarHBondContact O-N 3.46Å; F140-F143 WeakPolarHBondContact O-CB 3.39Å; F140-F143 PolarHBondContact O-N 2.94Å; F140-F144 PolarHBondContact O-N 3.12Å | ||
| 141 | V | 93.2 | Very high | 91.6 | Very high | 12 Ų | 12 | 25.4 Ų | 25.4 | 7% | 0.073 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.4 | -45.5 | -179.7 | 177.8 | 0 | 0 | 0 | 0 | 112.2 | Y133 F143 F144 C145 I164 T176 L178 | Y133-V141 HydrophobicContact CD1-CG2 3.86Å; Y133-V141 HydrophobicContact CE1-CG2 3.87Å; V141-F143 VanDerWaalsContact C-N 3.32Å; V141-F143 PolarHBondContact O-N 3.41Å; V141-F144 PolarHBondContact O-N 2.91Å; V141-C145 PolarHBondContact O-N 3.27Å; V141-C145 PolarHBondContact O-SG 3.26Å; V141-I164 HydrophobicContact CG1-CD1 3.8Å; V141-I164 HydrophobicContact CG1-CG1 4.19Å; V141-T176 HydrophobicContact CG1-CG2 4.28Å; V141-T176 HydrophobicContact CG2-CG2 4.18Å; V141-L178 HydrophobicContact CG1-CD2 3.95Å |
| 142 | P | 94.6 | Very high | 91.6 | Very high | 20 Ų | 20 | 25.4 Ų | 25.4 | 13% | 0.13 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.5 | -39.6 | 177.2 | -22.7 | 33.8 | 0 | 0 | 0 | 112.7 | D63 K66 F67 C145 G146 | D63-P142 HydrophobicContact CB-CB 4.16Å; D63-P142 HydrophobicContact CB-CG 3.99Å; K66-P142 HydrophobicContact CB-CB 4Å; K66-P142 HydrophobicContact CD-CG 4.49Å; F67-P142 WeakPolarHBondContact CA-O 3.17Å; P142-C145 PolarHBondContact O-N 2.9Å; P142-G146 PolarHBondContact O-N 3.47Å |
| 143 | F | 95.2 | Very high | 91.8 | Very high | 21 Ų | 21 | 30.1 Ų | 30.1 | 9% | 0.092 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.9 | -47.4 | 173.8 | 168.5 | -92.2 | 0 | 0 | 0 | 111.7 | L5 K66 M69 G70 F73 F140 V141 C145 G146 W147 | L5-F143 HydrophobicContact CD2-CE1 4.04Å; L5-F143 HydrophobicContact CD2-CE2 4.3Å; L5-F143 HydrophobicContact CD2-CZ 3.65Å; K66-F143 HydrophobicContact CB-CB 4.25Å; K66-F143 VanDerWaalsContact O-CA 3.3Å; K66-F143 WeakPolarHBondContact O-CA 3.24Å; M69-F143 HydrophobicContact CB-CD2 4.27Å; M69-F143 HydrophobicContact CE-CD2 4.16Å; M69-F143 HydrophobicContact CE-CE2 3.69Å; M69-F143 HydrophobicContact CE-CZ 4.46Å; M69-F143 HydrophobicContact CG-CD2 4.03Å; M69-F143 HydrophobicContact CG-CE2 3.94Å; M69-F143 HydrophobicContact SD-CD2 4.01Å; M69-F143 HydrophobicContact SD-CE2 4.08Å; G70-F143 WeakPolarHBondContact CA-O 3.3Å; F73-F143 HydrophobicContact CB-CE2 3.99Å; F73-F143 HydrophobicContact CB-CZ 4.12Å; F73-F143 HydrophobicContact CD1-CE2 4.39Å; F73-F143 AromaticContact CD1-CZ 3.69Å; F73-F143 HydrophobicContact CD1-CZ 3.69Å; F73-F143 HydrophobicContact CD2-CZ 4.39Å; F73-F143 HydrophobicContact CE1-CZ 4.14Å; F73-F143 HydrophobicContact CG-CE2 4.07Å; F73-F143 AromaticContact CG-CZ 3.82Å; F73-F143 HydrophobicContact CG-CZ 3.82Å; F140-F143 WeakPolarHBondContact O-CB 3.39Å; F140-F143 PolarHBondContact O-N 2.94Å; V141-F143 VanDerWaalsContact C-N 3.32Å; V141-F143 PolarHBondContact O-N 3.41Å; F143-C145 VanDerWaalsContact C-N 3.32Å; F143-C145 PolarHBondContact O-N 3.2Å; F143-G146 PolarHBondContact O-N 2.99Å; F143-W147 WeakPolarHBondContact O-CB 3.4Å; F143-W147 PolarHBondContact O-N 3.32Å |
| 144 | F | 94.6 | Very high | 91.7 | Very high | 6 Ų | 6 | 33.1 Ų | 33.1 | 3% | 0.026 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61 | -40.8 | 176.1 | 172.8 | -101.4 | 0 | 0 | 0 | 112.2 | L100 F119 L131 F140 V141 W147 M148 L178 | L100-F144 HydrophobicContact CD1-CE2 4.46Å; F119-F144 HydrophobicContact CD1-CE2 4.04Å; F119-F144 AromaticContact CD1-CZ 3.97Å; F119-F144 HydrophobicContact CD1-CZ 3.97Å; F119-F144 AromaticContact CE1-CD2 3.61Å; F119-F144 HydrophobicContact CE1-CD2 3.61Å; F119-F144 HydrophobicContact CE1-CE1 4.15Å; F119-F144 AromaticContact CE1-CE2 3.06Å; F119-F144 HydrophobicContact CE1-CE2 3.06Å; F119-F144 HydrophobicContact CE1-CG 4.33Å; F119-F144 AromaticContact CE1-CZ 3.36Å; F119-F144 HydrophobicContact CE1-CZ 3.36Å; F119-F144 AromaticContact CZ-CD2 3.74Å; F119-F144 HydrophobicContact CZ-CD2 3.74Å; F119-F144 AromaticContact CZ-CE2 3.42Å; F119-F144 HydrophobicContact CZ-CE2 3.42Å; F119-F144 VanDerWaalsContact CZ-CE2 3.42Å; F119-F144 HydrophobicContact CZ-CZ 4.18Å; L131-F144 HydrophobicContact CD2-CE1 4.01Å; L131-F144 HydrophobicContact CD2-CZ 3.66Å; F140-F144 PolarHBondContact O-N 3.12Å; V141-F144 PolarHBondContact O-N 2.91Å; F144-W147 AromaticContact CD2-CE3 3.75Å; F144-W147 HydrophobicContact CD2-CE3 3.75Å; F144-W147 HydrophobicContact CD2-CZ3 4.06Å; F144-W147 AromaticContact CE2-CE3 3.92Å; F144-W147 HydrophobicContact CE2-CE3 3.92Å; F144-W147 AromaticContact CE2-CZ3 3.88Å; F144-W147 HydrophobicContact CE2-CZ3 3.88Å; F144-W147 PolarHBondContact O-N 3.14Å; F144-M148 HydrophobicContact CD1-CG 4.26Å; F144-M148 HydrophobicContact CD2-CG 3.8Å; F144-M148 HydrophobicContact CE1-CG 3.74Å; F144-M148 HydrophobicContact CE2-CG 3.2Å; F144-M148 HydrophobicContact CE2-SD 3.7Å; F144-M148 HydrophobicContact CG-CG 4.3Å; F144-M148 HydrophobicContact CZ-CB 4.43Å; F144-M148 HydrophobicContact CZ-CG 3.19Å; F144-M148 HydrophobicContact CZ-SD 3.94Å; F144-M148 WeakPolarHBondContact O-CB 3.45Å; F144-M148 WeakPolarHBondContact O-CG 3.25Å; F144-M148 PolarHBondContact O-N 2.89Å; F144-L178 HydrophobicContact CD1-CD1 3.6Å; F144-L178 HydrophobicContact CE1-CD1 3.47Å; F144-L178 VanDerWaalsContact CE1-CD1 3.47Å |
| 145 | C | 95.6 | Very high | 91.8 | Very high | 11 Ų | 11 | 33.9 Ų | 33.9 | 7% | 0.074 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.8 | -47.8 | 177.9 | -64.2 | 0 | 0 | 0 | 0 | 111.3 | F67 V141 P142 F143 M148 T149 V162 | F67-C145 HydrophobicContact CD2-CB 4.04Å; F67-C145 HydrophobicContact CE2-CB 4.02Å; V141-C145 PolarHBondContact O-N 3.27Å; V141-C145 PolarHBondContact O-SG 3.26Å; P142-C145 PolarHBondContact O-N 2.9Å; F143-C145 VanDerWaalsContact C-N 3.32Å; F143-C145 PolarHBondContact O-N 3.2Å; C145-M148 PolarHBondContact O-N 3.37Å; C145-T149 WeakPolarHBondContact O-CB 3.19Å; C145-T149 PolarHBondContact O-N 3.31Å; C145-T149 PolarHBondContact O-OG1 2.73Å; C145-V162 HydrophobicContact CB-CB 4.3Å; C145-V162 HydrophobicContact CB-CG1 4.38Å; C145-V162 VanDerWaalsContact SG-CG1 3.54Å |
| 146 | G | 94.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.9 | -43.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | F67 I71 P142 F143 E150 | F67-G146 VanDerWaalsContact CD2-CA 3.47Å; F67-G146 VanDerWaalsContact CD2-N 3.3Å; F67-G146 VanDerWaalsContact CE2-CA 3.41Å; I71-G146 WeakPolarHBondContact CG1-O 2.95Å; P142-G146 PolarHBondContact O-N 3.47Å; F143-G146 PolarHBondContact O-N 2.99Å; G146-E150 PolarHBondContact O-N 2.8Å; G146-E150 VanDerWaalsContact O-N 3.14Å |
| 147 | W | 94.5 | Very high | 92.1 | Very high | 24 Ų | 24 | 34.9 Ų | 34.9 | 9% | 0.091 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.1 | -48.3 | 176.8 | 178.7 | 62.5 | 0 | 0 | 0 | 112.4 | G70 V74 F96 L100 F143 F144 L151 | G70-W147 VanDerWaalsContact O-CA 3.25Å; G70-W147 WeakPolarHBondContact O-CA 3.43Å; V74-W147 VanDerWaalsContact CG2-CD1 3.44Å; V74-W147 HydrophobicContact CG2-CG 4.4Å; F96-W147 HydrophobicContact CE1-CH2 4.35Å; F96-W147 AromaticContact CZ-CH2 3.99Å; F96-W147 HydrophobicContact CZ-CH2 3.99Å; F96-W147 HydrophobicContact CZ-CZ2 4.26Å; L100-W147 HydrophobicContact CD2-CH2 3.67Å; L100-W147 HydrophobicContact CD2-CZ3 4.04Å; F143-W147 WeakPolarHBondContact O-CB 3.4Å; F143-W147 PolarHBondContact O-N 3.32Å; F144-W147 AromaticContact CD2-CE3 3.75Å; F144-W147 HydrophobicContact CD2-CE3 3.75Å; F144-W147 HydrophobicContact CD2-CZ3 4.06Å; F144-W147 AromaticContact CE2-CE3 3.92Å; F144-W147 HydrophobicContact CE2-CE3 3.92Å; F144-W147 AromaticContact CE2-CZ3 3.88Å; F144-W147 HydrophobicContact CE2-CZ3 3.88Å; F144-W147 PolarHBondContact O-N 3.14Å; W147-L151 HydrophobicContact CH2-CD1 4.33Å; W147-L151 HydrophobicContact CZ2-CD1 3.65Å; W147-L151 WeakPolarHBondContact O-CB 3.33Å; W147-L151 PolarHBondContact O-N 3.12Å |
| 148 | M | 94 | Very high | 92.3 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -69.6 | -40.2 | -178.9 | -75.3 | -57.8 | -49.5 | 0 | 0 | 113.2 | L93 F96 L97 F144 C145 E150 L151 A152 M160 | L93-M148 HydrophobicContact CD1-CE 3.99Å; F96-M148 HydrophobicContact CD1-CE 4.14Å; F96-M148 HydrophobicContact CE1-CE 3.95Å; F96-M148 HydrophobicContact CE1-SD 3.9Å; L97-M148 HydrophobicContact CD2-CE 3.52Å; L97-M148 HydrophobicContact CD2-SD 4.36Å; L97-M148 HydrophobicContact CG-CE 4.35Å; F144-M148 HydrophobicContact CD1-CG 4.26Å; F144-M148 HydrophobicContact CD2-CG 3.8Å; F144-M148 HydrophobicContact CE1-CG 3.74Å; F144-M148 HydrophobicContact CE2-CG 3.2Å; F144-M148 HydrophobicContact CE2-SD 3.7Å; F144-M148 HydrophobicContact CG-CG 4.3Å; F144-M148 HydrophobicContact CZ-CB 4.43Å; F144-M148 HydrophobicContact CZ-CG 3.19Å; F144-M148 HydrophobicContact CZ-SD 3.94Å; F144-M148 WeakPolarHBondContact O-CB 3.45Å; F144-M148 WeakPolarHBondContact O-CG 3.25Å; F144-M148 PolarHBondContact O-N 2.89Å; C145-M148 PolarHBondContact O-N 3.37Å; M148-E150 VanDerWaalsContact C-N 3.34Å; M148-L151 PolarHBondContact O-N 3.42Å; M148-A152 VanDerWaalsContact O-CB 3.25Å; M148-A152 WeakPolarHBondContact O-CB 3.45Å; M148-A152 PolarHBondContact O-N 2.95Å; M148-M160 VanDerWaalsContact C-CE 3.48Å; M148-M160 HydrophobicContact CB-CE 3.56Å |
| 149 | T | 95 | Very high | 92.6 | Very high | 37 Ų | 37 | 36.6 Ų | 36.6 | 23% | 0.227 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.2 | -44.7 | 177.9 | -71.7 | 0 | 0 | 0 | 0 | 110.8 | C145 K153 M160 | C145-T149 WeakPolarHBondContact O-CB 3.19Å; C145-T149 PolarHBondContact O-N 3.31Å; C145-T149 PolarHBondContact O-OG1 2.73Å; T149-K153 PolarHBondContact O-N 3.43Å; T149-M160 PolarHBondContact OG1-O 2.81Å |
| 150 | E | 94.8 | Very high | 93 | Very high | 47 Ų | 47 | 35.5 Ų | 35.5 | 22% | 0.22 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -71.1 | -40.4 | 177.7 | -169.3 | 60.8 | -155.7 | 0 | 0 | 112 | I71 V74 G146 M148 A152 K153 V154 | I71-E150 HydrophobicContact CB-CB 4.23Å; I71-E150 HydrophobicContact CB-CG 4.47Å; I71-E150 HydrophobicContact CG1-CB 4.2Å; I71-E150 HydrophobicContact CG2-CB 4.01Å; I71-E150 HydrophobicContact CG2-CG 3.77Å; V74-E150 HydrophobicContact CB-CG 4.33Å; V74-E150 HydrophobicContact CG2-CB 4Å; V74-E150 HydrophobicContact CG2-CG 4.19Å; G146-E150 PolarHBondContact O-N 2.8Å; G146-E150 VanDerWaalsContact O-N 3.14Å; M148-E150 VanDerWaalsContact C-N 3.34Å; E150-A152 PolarHBondContact O-N 3.11Å; E150-K153 WeakPolarHBondContact O-CB 3.48Å; E150-K153 PolarHBondContact O-N 3.16Å; E150-V154 HydrophobicContact CG-CG2 4.07Å; E150-V154 WeakPolarHBondContact O-CB 3.46Å; E150-V154 WeakPolarHBondContact O-CG2 3.47Å; E150-V154 PolarHBondContact O-N 3.02Å; E150-V154 VanDerWaalsContact OE1-CG2 3.26Å; E150-V154 WeakPolarHBondContact OE1-CG2 3.26Å |
| 151 | L | 93.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.4 | -44.2 | 178.3 | -173.6 | 153.3 | 0 | 0 | 0 | 111.8 | V74 F96 W147 M148 K153 V154 L155 Y156 | V74-L151 HydrophobicContact CG2-CB 4.09Å; F96-L151 HydrophobicContact CD1-CD2 3.98Å; F96-L151 HydrophobicContact CD2-CD2 4.43Å; F96-L151 HydrophobicContact CE1-CD1 3.87Å; F96-L151 HydrophobicContact CE1-CD2 3.64Å; F96-L151 HydrophobicContact CE1-CG 4.43Å; F96-L151 HydrophobicContact CE2-CD1 4.02Å; F96-L151 HydrophobicContact CE2-CD2 4.13Å; F96-L151 HydrophobicContact CG-CD2 4.38Å; F96-L151 HydrophobicContact CZ-CD1 3.35Å; F96-L151 HydrophobicContact CZ-CD2 3.75Å; F96-L151 HydrophobicContact CZ-CG 4.22Å; W147-L151 HydrophobicContact CH2-CD1 4.33Å; W147-L151 HydrophobicContact CZ2-CD1 3.65Å; W147-L151 WeakPolarHBondContact O-CB 3.33Å; W147-L151 PolarHBondContact O-N 3.12Å; M148-L151 PolarHBondContact O-N 3.42Å; L151-K153 VanDerWaalsContact C-N 3.26Å; L151-K153 PolarHBondContact O-N 3.1Å; L151-V154 PolarHBondContact O-N 3.34Å; L151-L155 HydrophobicContact CD1-CD1 4.26Å; L151-L155 HydrophobicContact CD2-CB 4.47Å; L151-L155 HydrophobicContact CD2-CD1 3.83Å; L151-L155 HydrophobicContact CD2-CG 4.37Å; L151-L155 HydrophobicContact CG-CD1 3.74Å; L151-L155 HydrophobicContact CG-CG 4.21Å; L151-L155 WeakPolarHBondContact O-CB 3.47Å; L151-L155 PolarHBondContact O-N 3.43Å; L151-Y156 HydrophobicContact CD2-CD2 4.35Å; L151-Y156 HydrophobicContact CD2-CE2 4.05Å |
| 152 | A | 92.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.7 | -40 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | L93 M148 E150 Y156 S157 K158 M160 | L93-A152 HydrophobicContact CD1-CB 4.16Å; L93-A152 HydrophobicContact CD2-CB 3.88Å; M148-A152 VanDerWaalsContact O-CB 3.25Å; M148-A152 WeakPolarHBondContact O-CB 3.45Å; M148-A152 PolarHBondContact O-N 2.95Å; E150-A152 PolarHBondContact O-N 3.11Å; A152-Y156 CarbonylContact O-C 3.52Å; A152-Y156 WeakPolarHBondContact O-CA 3.46Å; A152-Y156 WeakPolarHBondContact O-CB 3.3Å; A152-Y156 PolarHBondContact O-N 3.44Å; A152-Y156 VanDerWaalsContact O-N 3.11Å; A152-S157 PolarHBondContact O-N 3.03Å; A152-S157 VanDerWaalsContact O-N 3.12Å; A152-K158 CarbonylContact C-O 3.59Å; A152-K158 HydrophobicContact CB-CB 4.33Å; A152-K158 PolarHBondContact O-N 3.37Å; A152-M160 HydrophobicContact CB-CB 3.99Å; A152-M160 HydrophobicContact CB-CE 4.44Å; A152-M160 HydrophobicContact CB-SD 4.45Å |
| 153 | K | 93.5 | Very high | 93 | Very high | 112 Ų | 112 | 45.8 Ų | 45.8 | 49% | 0.487 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -69.1 | -50.6 | 176.6 | -172.8 | -178.1 | 179.4 | -174.3 | 0 | 112.2 | T149 E150 L151 S157 K158 | T149-K153 PolarHBondContact O-N 3.43Å; E150-K153 WeakPolarHBondContact O-CB 3.48Å; E150-K153 PolarHBondContact O-N 3.16Å; L151-K153 VanDerWaalsContact C-N 3.26Å; L151-K153 PolarHBondContact O-N 3.1Å; K153-S157 WeakPolarHBondContact O-CA 3.41Å; K153-S157 PolarHBondContact O-N 2.93Å; K153-K158 PolarHBondContact N-O 2.98Å |
| 154 | V | 90.7 | Very high | 92.9 | Very high | 73 Ų | 73 | 49.3 Ų | 49.3 | 44% | 0.442 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -72.8 | -40.8 | -173.5 | 173.7 | 0 | 0 | 0 | 0 | 112.7 | E150 L151 | E150-V154 HydrophobicContact CG-CG2 4.07Å; E150-V154 WeakPolarHBondContact O-CB 3.46Å; E150-V154 WeakPolarHBondContact O-CG2 3.47Å; E150-V154 PolarHBondContact O-N 3.02Å; E150-V154 VanDerWaalsContact OE1-CG2 3.26Å; E150-V154 WeakPolarHBondContact OE1-CG2 3.26Å; L151-V154 PolarHBondContact O-N 3.34Å |
| 155 | L | 89.2 | Confident | 92.7 | Very high | 36 Ų | 36 | 52.6 Ų | 52.6 | 19% | 0.188 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -92.2 | -34.2 | -175.7 | -61.1 | -172.4 | 0 | 0 | 0 | 113.2 | L86 R87 L151 | L86-L155 HydrophobicContact CB-CD1 3.98Å; R87-L155 HydrophobicContact CG-CD2 3.78Å; L151-L155 HydrophobicContact CD1-CD1 4.26Å; L151-L155 HydrophobicContact CD2-CB 4.47Å; L151-L155 HydrophobicContact CD2-CD1 3.83Å; L151-L155 HydrophobicContact CD2-CG 4.37Å; L151-L155 HydrophobicContact CG-CD1 3.74Å; L151-L155 HydrophobicContact CG-CG 4.21Å; L151-L155 WeakPolarHBondContact O-CB 3.47Å; L151-L155 PolarHBondContact O-N 3.43Å |
| 156 | Y | 90.4 | Very high | 92.4 | Very high | 31 Ų | 31 | 53.5 Ų | 53.5 | 12% | 0.122 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -119.3 | 0.2 | -172.3 | -59.9 | -75.4 | 0 | 0 | 0 | 114 | G90 R91 E92 L93 F96 L151 A152 K158 | G90-Y156 WeakPolarHBondContact O-CE1 3.36Å; G90-Y156 PolarHBondContact O-OH 3.14Å; R91-Y156 WeakPolarHBondContact O-CE1 3.25Å; E92-Y156 VanDerWaalsContact C-CE1 3.47Å; L93-Y156 HydrophobicContact CB-CD2 4.15Å; L93-Y156 HydrophobicContact CB-CG 4.22Å; L93-Y156 HydrophobicContact CD1-CD2 3.93Å; L93-Y156 HydrophobicContact CD1-CE2 4.18Å; F96-Y156 HydrophobicContact CB-CE2 4.03Å; F96-Y156 WeakPolarHBondContact CB-OH 3.27Å; F96-Y156 HydrophobicContact CG-CE2 4.22Å; L151-Y156 HydrophobicContact CD2-CD2 4.35Å; L151-Y156 HydrophobicContact CD2-CE2 4.05Å; A152-Y156 CarbonylContact O-C 3.52Å; A152-Y156 WeakPolarHBondContact O-CA 3.46Å; A152-Y156 WeakPolarHBondContact O-CB 3.3Å; A152-Y156 PolarHBondContact O-N 3.44Å; A152-Y156 VanDerWaalsContact O-N 3.11Å; Y156-K158 PolarHBondContact O-N 3.27Å |
| 157 | S | 91.2 | Very high | 92.1 | Very high | 107 Ų | 107 | 59.1 Ų | 59.1 | 75% | 0.748 | 31% | 0.311 | S | S | * | . | trans | 52.9 | 39.3 | -175.6 | -55.6 | 0 | 0 | 0 | 0 | 112.5 | A152 K153 | A152-S157 PolarHBondContact O-N 3.03Å; A152-S157 VanDerWaalsContact O-N 3.12Å; K153-S157 WeakPolarHBondContact O-CA 3.41Å; K153-S157 PolarHBondContact O-N 2.93Å | ||
| 158 | K | 90.2 | Very high | 91.7 | Very high | 38 Ų | 38 | 64.2 Ų | 64.2 | 17% | 0.165 | 33% | 0.334 | C | S | . | . | trans | -113.7 | 119.3 | -179.7 | -69.1 | -68.8 | 172.5 | 178.6 | 0 | 111.2 | A152 K153 Y156 M160 H183 H185 | A152-K158 CarbonylContact C-O 3.59Å; A152-K158 HydrophobicContact CB-CB 4.33Å; A152-K158 PolarHBondContact O-N 3.37Å; K153-K158 PolarHBondContact N-O 2.98Å; Y156-K158 PolarHBondContact O-N 3.27Å; K158-M160 PolarHBondContact O-N 3.11Å; K158-H183 PolarHBondContact NZ-O 2.91Å; K158-H185 PolarHBondContact NZ-CE1 2.92Å; K158-H185 VanDerWaalsContact NZ-CE1 3.34Å; K158-H185 PolarHBondContact NZ-ND1 3.33Å; K158-H185 VanDerWaalsContact NZ-ND1 3.11Å | ||
| 159 | D | 92 | Very high | 91 | Very high | 140 Ų | 140 | 69.9 Ų | 69.9 | 75% | 0.749 | 36% | 0.364 | S | S | * | . | trans | -73.1 | 111.3 | 165 | -65.1 | -50.9 | 0 | 0 | 0 | 109 | ||||
| 160 | M | 92.7 | Very high | 89.9 | Confident | 10 Ų | 10 | 75.5 Ų | 75.5 | 5% | 0.049 | 38% | 0.381 | C | S | . | . | trans | -118.9 | 129.5 | -176.5 | -173.9 | -168.8 | 66.1 | 0 | 0 | 111.1 | L93 M148 T149 A152 K158 V162 L180 H181 F182 | L93-M160 HydrophobicContact CD2-SD 4.07Å; M148-M160 VanDerWaalsContact C-CE 3.48Å; M148-M160 HydrophobicContact CB-CE 3.56Å; T149-M160 PolarHBondContact OG1-O 2.81Å; A152-M160 HydrophobicContact CB-CB 3.99Å; A152-M160 HydrophobicContact CB-CE 4.44Å; A152-M160 HydrophobicContact CB-SD 4.45Å; K158-M160 PolarHBondContact O-N 3.11Å; M160-V162 HydrophobicContact CE-CG2 3.51Å; M160-V162 HydrophobicContact SD-CG2 4.5Å; M160-L180 HydrophobicContact CE-CD2 4.38Å; M160-L180 HydrophobicContact CG-CB 4.42Å; M160-L180 HydrophobicContact SD-CB 3.89Å; M160-L180 HydrophobicContact SD-CD1 4.21Å; M160-L180 HydrophobicContact SD-CD2 4.12Å; M160-L180 HydrophobicContact SD-CG 4.3Å; M160-H181 WeakPolarHBondContact CA-O 3.49Å; M160-F182 HydrophobicContact CB-CB 4.28Å; M160-F182 HydrophobicContact CG-CB 4.18Å; M160-F182 HydrophobicContact CG-CD1 4.24Å; M160-F182 HydrophobicContact SD-CD1 4.44Å | ||
| 161 | K | 92.7 | Very high | 88.6 | Confident | 153 Ų | 153 | 76.7 Ų | 76.7 | 67% | 0.665 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 130.1 | 171.4 | -174 | -178.3 | 179.5 | -175.9 | 0 | 110.2 | H181 | K161-H181 HydrophobicContact CB-CB 4.34Å; K161-H181 PolarHBondContact N-O 3.42Å; K161-H181 PolarHBondContact O-N 3Å |
| 162 | V | 94 | Very high | 87.5 | Confident | 28 Ų | 28 | 85.3 Ų | 85.3 | 17% | 0.17 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 127.3 | 177.5 | -174.2 | 0 | 0 | 0 | 0 | 109.9 | C145 M160 L178 L180 | C145-V162 HydrophobicContact CB-CB 4.3Å; C145-V162 HydrophobicContact CB-CG1 4.38Å; C145-V162 VanDerWaalsContact SG-CG1 3.54Å; M160-V162 HydrophobicContact CE-CG2 3.51Å; M160-V162 HydrophobicContact SD-CG2 4.5Å; V162-L178 HydrophobicContact CG1-CB 4.28Å; V162-L178 HydrophobicContact CG1-CD2 4.31Å; V162-L180 HydrophobicContact CB-CD2 4.16Å; V162-L180 HydrophobicContact CG1-CD2 3.74Å; V162-L180 HydrophobicContact CG2-CD2 3.65Å |
| 163 | E | 93 | Very high | 86.9 | Confident | 88 Ų | 88 | 88.9 Ų | 88.9 | 41% | 0.411 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 129.4 | 176 | 178.9 | -175.4 | -177.3 | 0 | 0 | 109.8 | V165 L178 R179 H181 | E163-V165 PolarHBondContact O-N 3.47Å; E163-L178 CarbonylContact O-C 3.5Å; E163-L178 WeakPolarHBondContact O-CA 3.25Å; E163-R179 HydrophobicContact CB-CB 4.31Å; E163-R179 PolarHBondContact N-O 3.04Å; E163-R179 PolarHBondContact O-N 2.94Å; E163-H181 IonicContact OE2-CD2 3.21Å; E163-H181 IonicContact OE2-CE1 2.98Å; E163-H181 IonicContact OE2-NE2 3.96Å; E163-H181 PolarHBondContact OE2-NE2 3.49Å |
| 164 | I | 92.4 | Very high | 86.5 | Confident | 94 Ų | 94 | 84.2 Ų | 84.2 | 48% | 0.482 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 108.4 | 175.5 | -56.1 | 172.2 | 0 | 0 | 0 | 107.8 | V141 T176 L178 | V141-I164 HydrophobicContact CG1-CD1 3.8Å; V141-I164 HydrophobicContact CG1-CG1 4.19Å; I164-T176 HydrophobicContact CG2-CG2 3.73Å; I164-L178 HydrophobicContact CB-CD2 4.28Å; I164-L178 HydrophobicContact CG1-CD2 3.72Å; I164-L178 HydrophobicContact CG2-CD2 4.4Å |
| 165 | V | 90.9 | Very high | 86.3 | Confident | 75 Ų | 75 | 81.3 Ų | 81.3 | 46% | 0.455 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | -34.7 | -176.8 | -179.5 | 0 | 0 | 0 | 0 | 111.2 | E163 I177 R179 | E163-V165 PolarHBondContact O-N 3.47Å; V165-I177 HydrophobicContact CB-CB 4.25Å; V165-I177 HydrophobicContact CB-CG2 3.99Å; V165-I177 HydrophobicContact CG1-CG2 4.45Å; V165-I177 HydrophobicContact CG2-CG2 4.33Å; V165-I177 PolarHBondContact N-O 3.11Å; V165-R179 HydrophobicContact CG2-CB 3.72Å |
| 166 | G | 88.7 | Confident | 86.5 | Confident | 30 Ų | 30 | 79.8 Ų | 79.8 | 31% | 0.309 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 175.9 | 162.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | T176 I177 | G166-T176 WeakPolarHBondContact O-CA 3.39Å; G166-I177 PolarHBondContact O-N 2.72Å |
| 167 | Q | 88.5 | Confident | 86.6 | Confident | 118 Ų | 118 | 80.6 Ų | 80.6 | 55% | 0.551 | 42% | 0.421 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 135.3 | -179.5 | -168.3 | 173.5 | 11.9 | 0 | 0 | 109.3 | V174 E175 | Q167-V174 HydrophobicContact CG-CG1 3.54Å; Q167-E175 CarbonylContact C-O 3.55Å; Q167-E175 VanDerWaalsContact CA-O 3.28Å; Q167-E175 WeakPolarHBondContact CA-O 3.15Å |
| 168 | K | 85.2 | Confident | 86.8 | Confident | 132 Ų | 132 | 75.5 Ų | 75.5 | 57% | 0.574 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 128.7 | 175.5 | -70 | -178 | -179.6 | 177.6 | 0 | 108.8 | E175 | K168-E175 HydrophobicContact CB-CB 4.43Å; K168-E175 PolarHBondContact N-O 2.89Å; K168-E175 PolarHBondContact O-N 2.87Å |
| 169 | D | 79.2 | Confident | 87 | Confident | 119 Ų | 119 | 79 Ų | 79 | 64% | 0.636 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 120.2 | 172.4 | -166.2 | -13.1 | 0 | 0 | 0 | 109.4 | G171 | D169-G171 WeakPolarHBondContact OD1-CA 3.48Å; D169-G171 PolarHBondContact OD1-N 3.17Å |
| 170 | R | 71.9 | Confident | 87.2 | Confident | 155 Ų | 155 | 72.4 Ų | 72.4 | 59% | 0.585 | 36% | 0.362 | S | S | * | . | trans | -103.7 | 25.8 | 174.1 | -63.3 | -166.6 | -171.1 | -158 | 2.6 | 111.8 | K172 Q173 E175 | R170-K172 PolarHBondContact O-N 2.81Å; R170-Q173 PolarHBondContact N-O 2.9Å; R170-E175 IonicContact CZ-OE2 3.47Å; R170-E175 IonicContact NE-OE2 2.8Å; R170-E175 PolarHBondContact NE-OE2 2.85Å; R170-E175 IonicContact NH2-OE1 3.18Å; R170-E175 IonicContact NH2-OE2 3.48Å; R170-E175 PolarHBondContact NH2-OE2 3.03Å | ||
| 171 | G | 67 | Low | 87.3 | Confident | 71 Ų | 71 | 75.1 Ų | 75.1 | 73% | 0.732 | 37% | 0.374 | S | S | * | . | S | Bend | trans | 75.5 | -51.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | D169 | D169-G171 WeakPolarHBondContact OD1-CA 3.48Å; D169-G171 PolarHBondContact OD1-N 3.17Å |
| 172 | K | 71.5 | Confident | 87.3 | Confident | 182 Ų | 182 | 68.5 Ų | 68.5 | 79% | 0.791 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -91.8 | -25.4 | 177.2 | -70.1 | -174.1 | -179.7 | 178 | 0 | 113.4 | H136 R170 | H136-K172 PolarHBondContact ND1-O 2.81Å; R170-K172 PolarHBondContact O-N 2.81Å |
| 173 | Q | 79.1 | Confident | 87.1 | Confident | 74 Ų | 74 | 72.3 Ų | 72.3 | 35% | 0.346 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -143.2 | 146.8 | -176.7 | -72.4 | -179 | -14.8 | 0 | 0 | 109.1 | S135 H136 R170 | S135-Q173 WeakPolarHBondContact O-CA 3.42Å; H136-Q173 WeakPolarHBondContact CE1-CG 3.43Å; H136-Q173 PolarHBondContact CE1-NE2 3.28Å; H136-Q173 VanDerWaalsContact CE1-NE2 3.27Å; H136-Q173 VanDerWaalsContact ND1-CG 3.35Å; H136-Q173 WeakPolarHBondContact ND1-CG 3.39Å; H136-Q173 PolarHBondContact NE2-NE2 2.95Å; R170-Q173 PolarHBondContact N-O 2.9Å |
| 174 | V | 85.7 | Confident | 86.9 | Confident | 15 Ų | 15 | 68.3 Ų | 68.3 | 9% | 0.091 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 128 | 173.7 | -174.3 | 0 | 0 | 0 | 0 | 109.1 | R134 S135 T138 Q167 | R134-V174 WeakPolarHBondContact CA-O 3.21Å; S135-V174 PolarHBondContact N-O 2.85Å; S135-V174 VanDerWaalsContact N-O 3.1Å; S135-V174 PolarHBondContact O-N 3.02Å; T138-V174 HydrophobicContact CG2-CB 4.45Å; T138-V174 HydrophobicContact CG2-CG2 3.63Å; Q167-V174 HydrophobicContact CG-CG1 3.54Å |
| 175 | E | 87.5 | Confident | 86.5 | Confident | 12 Ų | 12 | 69.8 Ų | 69.8 | 6% | 0.056 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 124.9 | -177.2 | -176.9 | -169 | 151.1 | 0 | 0 | 108.5 | Q132 Y133 R134 Q167 K168 R170 | Q132-E175 HydrophobicContact CG-CG 3.92Å; Q132-E175 PolarHBondContact NE2-OE1 2.81Å; Y133-E175 CarbonylContact O-C 3.48Å; Y133-E175 WeakPolarHBondContact O-CA 3.22Å; R134-E175 HydrophobicContact CG-CB 4.39Å; R134-E175 HydrophobicContact CG-CG 4.13Å; Q167-E175 CarbonylContact C-O 3.55Å; Q167-E175 VanDerWaalsContact CA-O 3.28Å; Q167-E175 WeakPolarHBondContact CA-O 3.15Å; K168-E175 HydrophobicContact CB-CB 4.43Å; K168-E175 PolarHBondContact N-O 2.89Å; K168-E175 PolarHBondContact O-N 2.87Å; R170-E175 IonicContact CZ-OE2 3.47Å; R170-E175 IonicContact NE-OE2 2.8Å; R170-E175 PolarHBondContact NE-OE2 2.85Å; R170-E175 IonicContact NH2-OE1 3.18Å; R170-E175 IonicContact NH2-OE2 3.48Å; R170-E175 PolarHBondContact NH2-OE2 3.03Å |
| 176 | T | 92.6 | Very high | 86 | Confident | 3 Ų | 3 | 68 Ų | 68 | 2% | 0.018 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 126.6 | 178.6 | -49.5 | 0 | 0 | 0 | 0 | 109.3 | Y133 V141 I164 G166 L178 | Y133-T176 PolarHBondContact N-O 3.41Å; Y133-T176 PolarHBondContact O-N 2.96Å; V141-T176 HydrophobicContact CG1-CG2 4.28Å; V141-T176 HydrophobicContact CG2-CG2 4.18Å; I164-T176 HydrophobicContact CG2-CG2 3.73Å; G166-T176 WeakPolarHBondContact O-CA 3.39Å; T176-L178 HydrophobicContact CG2-CD2 3.73Å; T176-L178 HydrophobicContact CG2-CG 4.32Å |
| 177 | I | 93.2 | Very high | 85.6 | Confident | 49 Ų | 49 | 68.8 Ų | 68.8 | 25% | 0.251 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 121.5 | 175 | -58.6 | 176.2 | 0 | 0 | 0 | 107.8 | T130 V165 G166 | T130-I177 HydrophobicContact CG2-CG2 3.7Å; V165-I177 HydrophobicContact CB-CB 4.25Å; V165-I177 HydrophobicContact CB-CG2 3.99Å; V165-I177 HydrophobicContact CG1-CG2 4.45Å; V165-I177 HydrophobicContact CG2-CG2 4.33Å; V165-I177 PolarHBondContact N-O 3.11Å; G166-I177 PolarHBondContact O-N 2.72Å |
| 178 | L | 94.9 | Very high | 84.8 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 130.9 | -178.4 | -56.7 | 176.7 | 0 | 0 | 0 | 109 | T130 L131 V141 F144 V162 E163 I164 T176 L180 | T130-L178 CarbonylContact C-O 3.52Å; T130-L178 WeakPolarHBondContact CA-O 3.39Å; L131-L178 PolarHBondContact N-O 3.25Å; L131-L178 PolarHBondContact O-N 3.45Å; V141-L178 HydrophobicContact CG1-CD2 3.95Å; F144-L178 HydrophobicContact CD1-CD1 3.6Å; F144-L178 HydrophobicContact CE1-CD1 3.47Å; F144-L178 VanDerWaalsContact CE1-CD1 3.47Å; V162-L178 HydrophobicContact CG1-CB 4.28Å; V162-L178 HydrophobicContact CG1-CD2 4.31Å; E163-L178 CarbonylContact O-C 3.5Å; E163-L178 WeakPolarHBondContact O-CA 3.25Å; I164-L178 HydrophobicContact CB-CD2 4.28Å; I164-L178 HydrophobicContact CG1-CD2 3.72Å; I164-L178 HydrophobicContact CG2-CD2 4.4Å; T176-L178 HydrophobicContact CG2-CD2 3.73Å; T176-L178 HydrophobicContact CG2-CG 4.32Å; L178-L180 HydrophobicContact CB-CD2 4.46Å |
| 179 | R | 95.1 | Very high | 83.7 | Confident | 112 Ų | 112 | 69.6 Ų | 69.6 | 42% | 0.423 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 115.6 | 170 | -177 | 170.2 | -74.1 | 174.2 | -3.9 | 108.9 | E163 V165 H181 | E163-R179 HydrophobicContact CB-CB 4.31Å; E163-R179 PolarHBondContact N-O 3.04Å; E163-R179 PolarHBondContact O-N 2.94Å; V165-R179 HydrophobicContact CG2-CB 3.72Å; R179-H181 VanDerWaalsContact CD-CE1 3.43Å; R179-H181 WeakPolarHBondContact CD-CE1 3.45Å |
| 180 | L | 95.5 | Very high | 83 | Confident | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 107.8 | 179.7 | -51.7 | -178.1 | 0 | 0 | 0 | 108.4 | L97 G128 I129 L131 M160 V162 L178 F182 | L97-L180 HydrophobicContact CD1-CD1 3.58Å; L97-L180 HydrophobicContact CD2-CD1 3.88Å; L97-L180 HydrophobicContact CG-CD1 4.41Å; G128-L180 CarbonylContact C-O 3.57Å; G128-L180 WeakPolarHBondContact CA-O 3.33Å; I129-L180 PolarHBondContact N-O 3.14Å; I129-L180 WeakPolarHBondContact O-CB 3.31Å; I129-L180 PolarHBondContact O-N 3.09Å; L131-L180 HydrophobicContact CB-CD1 4.09Å; L131-L180 HydrophobicContact CB-CG 4.34Å; L131-L180 HydrophobicContact CD2-CD1 4.15Å; M160-L180 HydrophobicContact CE-CD2 4.38Å; M160-L180 HydrophobicContact CG-CB 4.42Å; M160-L180 HydrophobicContact SD-CB 3.89Å; M160-L180 HydrophobicContact SD-CD1 4.21Å; M160-L180 HydrophobicContact SD-CD2 4.12Å; M160-L180 HydrophobicContact SD-CG 4.3Å; V162-L180 HydrophobicContact CB-CD2 4.16Å; V162-L180 HydrophobicContact CG1-CD2 3.74Å; V162-L180 HydrophobicContact CG2-CD2 3.65Å; L178-L180 HydrophobicContact CB-CD2 4.46Å; L180-F182 HydrophobicContact CB-CD1 4.28Å; L180-F182 HydrophobicContact CB-CE1 4.32Å |
| 181 | H | 94.7 | Very high | 82.2 | Confident | 68 Ų | 68 | 70.8 Ų | 70.8 | 32% | 0.315 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 114.7 | 179.8 | -61.2 | -90.2 | 0 | 0 | 0 | 109.8 | M160 K161 E163 R179 | M160-H181 WeakPolarHBondContact CA-O 3.49Å; K161-H181 HydrophobicContact CB-CB 4.34Å; K161-H181 PolarHBondContact N-O 3.42Å; K161-H181 PolarHBondContact O-N 3Å; E163-H181 IonicContact OE2-CD2 3.21Å; E163-H181 IonicContact OE2-CE1 2.98Å; E163-H181 IonicContact OE2-NE2 3.96Å; E163-H181 PolarHBondContact OE2-NE2 3.49Å; R179-H181 VanDerWaalsContact CD-CE1 3.43Å; R179-H181 WeakPolarHBondContact CD-CE1 3.45Å |
| 182 | F | 93 | Very high | 82 | Confident | 13 Ų | 13 | 75.6 Ų | 75.6 | 6% | 0.057 | 36% | 0.363 | C | S | . | . | trans | -161.2 | 157.9 | 175.3 | 67.8 | -82.9 | 0 | 0 | 0 | 110.3 | L93 T127 G128 I129 M160 L180 N184 | L93-F182 HydrophobicContact CB-CE2 4.33Å; L93-F182 HydrophobicContact CD2-CD1 4.04Å; L93-F182 HydrophobicContact CD2-CD2 4.01Å; L93-F182 HydrophobicContact CD2-CE1 4.06Å; L93-F182 HydrophobicContact CD2-CE2 4.02Å; L93-F182 HydrophobicContact CD2-CG 4.03Å; L93-F182 HydrophobicContact CD2-CZ 4.05Å; L93-F182 HydrophobicContact CG-CZ 4.39Å; T127-F182 CarbonylContact C-O 3.56Å; T127-F182 PolarHBondContact O-N 2.88Å; T127-F182 VanDerWaalsContact O-N 3.12Å; G128-F182 PolarHBondContact N-O 2.98Å; I129-F182 HydrophobicContact CB-CE1 4.26Å; I129-F182 HydrophobicContact CD1-CE1 4.2Å; I129-F182 HydrophobicContact CD1-CZ 3.82Å; I129-F182 HydrophobicContact CG1-CE1 4.1Å; I129-F182 HydrophobicContact CG1-CZ 4.05Å; M160-F182 HydrophobicContact CB-CB 4.28Å; M160-F182 HydrophobicContact CG-CB 4.18Å; M160-F182 HydrophobicContact CG-CD1 4.24Å; M160-F182 HydrophobicContact SD-CD1 4.44Å; L180-F182 HydrophobicContact CB-CD1 4.28Å; L180-F182 HydrophobicContact CB-CE1 4.32Å; F182-N184 HydrophobicContact CD2-CB 4.16Å; F182-N184 HydrophobicContact CE2-CB 3.56Å; F182-N184 HydrophobicContact CZ-CB 4.04Å; F182-N184 PolarHBondContact O-N 3.17Å; F182-N184 VanDerWaalsContact O-N 3.15Å | ||
| 183 | H | 89.2 | Confident | 81.9 | Confident | 108 Ų | 108 | 75 Ų | 75 | 50% | 0.5 | 36% | 0.363 | S | S | . | . | trans | -77.4 | 104.8 | 177 | -162.9 | 107.1 | 0 | 0 | 0 | 111.4 | K158 H185 | K158-H183 PolarHBondContact NZ-O 2.91Å; H183-H185 AromaticContact CD2-CD2 3.19Å; H183-H185 PolarHBondContact CD2-CD2 3.35Å; H183-H185 AromaticContact CD2-CE1 3.08Å; H183-H185 PolarHBondContact CD2-CE1 3.44Å; H183-H185 AromaticContact CD2-CG 3.32Å; H183-H185 AromaticContact CD2-ND1 3.26Å; H183-H185 PolarHBondContact CD2-ND1 3.36Å; H183-H185 VanDerWaalsContact CD2-ND1 3.26Å; H183-H185 AromaticContact CD2-NE2 3.05Å; H183-H185 PolarHBondContact CD2-NE2 2.92Å; H183-H185 AromaticContact CG-CE1 3.71Å; H183-H185 AromaticContact CG-NE2 3.83Å; H183-H185 AromaticContact NE2-CD2 3.13Å; H183-H185 PolarHBondContact NE2-CD2 3.11Å; H183-H185 AromaticContact NE2-CE1 3.76Å; H183-H185 AromaticContact NE2-CG 3.69Å; H183-H185 AromaticContact NE2-NE2 3.2Å; H183-H185 PolarHBondContact NE2-NE2 3.44Å; H183-H185 VanDerWaalsContact NE2-NE2 3.2Å; H183-H185 PolarHBondContact O-N 2.86Å | ||
| 184 | N | 88.3 | Confident | 81.7 | Confident | 4 Ų | 4 | 79 Ų | 79 | 2% | 0.021 | 39% | 0.386 | C | S | . | . | trans | -95.1 | 78.1 | -177.3 | -171.6 | 13.6 | 0 | 0 | 0 | 111.2 | E124 S125 R126 F182 S186 F187 | E124-N184 WeakPolarHBondContact CG-ND2 3.42Å; E124-N184 PolarHBondContact OE1-ND2 3.23Å; S125-N184 WeakPolarHBondContact O-CB 3.44Å; S125-N184 PolarHBondContact O-ND2 2.82Å; S125-N184 VanDerWaalsContact O-ND2 3.17Å; R126-N184 PolarHBondContact O-N 3.31Å; F182-N184 HydrophobicContact CD2-CB 4.16Å; F182-N184 HydrophobicContact CE2-CB 3.56Å; F182-N184 HydrophobicContact CZ-CB 4.04Å; F182-N184 PolarHBondContact O-N 3.17Å; F182-N184 VanDerWaalsContact O-N 3.15Å; N184-S186 PolarHBondContact O-N 3.14Å; N184-F187 PolarHBondContact O-N 3.49Å | ||
| 185 | H | 83.7 | Confident | 81.4 | Confident | 125 Ų | 125 | 84.4 Ų | 84.4 | 58% | 0.579 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -23.1 | -178.6 | -59.4 | 94.5 | 0 | 0 | 0 | 113.1 | K158 H183 F187 | K158-H185 PolarHBondContact NZ-CE1 2.92Å; K158-H185 VanDerWaalsContact NZ-CE1 3.34Å; K158-H185 PolarHBondContact NZ-ND1 3.33Å; K158-H185 VanDerWaalsContact NZ-ND1 3.11Å; H183-H185 AromaticContact CD2-CD2 3.19Å; H183-H185 PolarHBondContact CD2-CD2 3.35Å; H183-H185 AromaticContact CD2-CE1 3.08Å; H183-H185 PolarHBondContact CD2-CE1 3.44Å; H183-H185 AromaticContact CD2-CG 3.32Å; H183-H185 AromaticContact CD2-ND1 3.26Å; H183-H185 PolarHBondContact CD2-ND1 3.36Å; H183-H185 VanDerWaalsContact CD2-ND1 3.26Å; H183-H185 AromaticContact CD2-NE2 3.05Å; H183-H185 PolarHBondContact CD2-NE2 2.92Å; H183-H185 AromaticContact CG-CE1 3.71Å; H183-H185 AromaticContact CG-NE2 3.83Å; H183-H185 AromaticContact NE2-CD2 3.13Å; H183-H185 PolarHBondContact NE2-CD2 3.11Å; H183-H185 AromaticContact NE2-CE1 3.76Å; H183-H185 AromaticContact NE2-CG 3.69Å; H183-H185 AromaticContact NE2-NE2 3.2Å; H183-H185 PolarHBondContact NE2-NE2 3.44Å; H183-H185 VanDerWaalsContact NE2-NE2 3.2Å; H183-H185 PolarHBondContact O-N 2.86Å; H185-F187 VanDerWaalsContact C-N 3.29Å; H185-F187 PolarHBondContact O-N 3.1Å |
| 186 | S | 81.6 | Confident | 81.2 | Confident | 39 Ų | 39 | 88.5 Ų | 88.5 | 27% | 0.273 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -0.9 | -174.1 | -47.4 | 0 | 0 | 0 | 0 | 113.1 | E92 N184 N188 | E92-S186 VanDerWaalsContact CD-OG 3.29Å; E92-S186 VanDerWaalsContact CG-OG 3.29Å; E92-S186 WeakPolarHBondContact CG-OG 3.45Å; N184-S186 PolarHBondContact O-N 3.14Å; S186-N188 PolarHBondContact O-N 2.9Å; S186-N188 VanDerWaalsContact O-N 3.08Å |
| 187 | F | 80.7 | Confident | 80.9 | Confident | 46 Ų | 46 | 92.4 Ų | 92.4 | 20% | 0.202 | 47% | 0.472 | C | S | . | . | trans | -72.5 | 98.6 | 169.8 | -178.6 | -101.3 | 0 | 0 | 0 | 109.8 | E124 R126 N184 H185 E189 | E124-F187 HydrophobicContact CB-CD2 4.25Å; E124-F187 HydrophobicContact CB-CE2 4.26Å; E124-F187 HydrophobicContact CG-CD2 3.55Å; E124-F187 HydrophobicContact CG-CE2 4.06Å; E124-F187 HydrophobicContact CG-CG 4.4Å; R126-F187 HydrophobicContact CG-CB 4.43Å; R126-F187 HydrophobicContact CG-CD1 3.75Å; N184-F187 PolarHBondContact O-N 3.49Å; H185-F187 VanDerWaalsContact C-N 3.29Å; H185-F187 PolarHBondContact O-N 3.1Å; F187-E189 HydrophobicContact CE1-CG 4.34Å; F187-E189 HydrophobicContact CZ-CG 4.46Å | ||
| 188 | N | 71.4 | Confident | 80.4 | Confident | 121 Ų | 121 | 92.4 Ų | 92.4 | 65% | 0.647 | 48% | 0.479 | S | S | * | . | trans | -106.3 | 134.2 | 168.6 | -69.3 | -19.2 | 0 | 0 | 0 | 109.1 | S186 | S186-N188 PolarHBondContact O-N 2.9Å; S186-N188 VanDerWaalsContact O-N 3.08Å | ||
| 189 | E | 62.5 | Low | 80 | Confident | 146 Ų | 146 | 97.7 Ų | 97.7 | 68% | 0.682 | 51% | 0.507 | S | S | * | . | trans | -69.4 | 132.4 | 159.7 | -76.1 | 173 | 171.5 | 0 | 0 | 107.1 | F187 D191 | F187-E189 HydrophobicContact CE1-CG 4.34Å; F187-E189 HydrophobicContact CZ-CG 4.46Å; E189-D191 PolarHBondContact O-N 3.4Å | ||
| 190 | I | 63.9 | Low | 79.7 | Confident | 150 Ų | 150 | 95.7 Ų | 95.7 | 77% | 0.769 | 51% | 0.506 | S | S | * | . | trans | -76.6 | 111.8 | -179.6 | -60 | 170.9 | 0 | 0 | 0 | 106.5 | ||||
| 191 | D | 55.7 | Low | 79.3 | Confident | 149 Ų | 149 | 97.3 Ų | 97.3 | 80% | 0.797 | 51% | 0.514 | S | S | * | . | trans | -89.4 | -19.5 | -172.9 | -78.4 | -33 | 0 | 0 | 0 | 114.4 | E189 | E189-D191 PolarHBondContact O-N 3.4Š| ||
| 192 | E | 61.9 | Low | 79.1 | Confident | 171 Ų | 171 | 95.5 Ų | 95.5 | 80% | 0.799 | 51% | 0.505 | S | S | * | . | trans | -134.7 | 121.6 | -174.6 | -68.7 | -172.5 | 174.4 | 0 | 0 | 113.2 | ||||
| 193 | E | 69.2 | Low | 78.7 | Confident | 170 Ų | 170 | 101.3 Ų | 101.3 | 79% | 0.794 | 53% | 0.532 | S | S | * | . | trans | -105.6 | 125.8 | 172.8 | -64.4 | -174.4 | 168.6 | 0 | 0 | 110.3 | ||||
| 194 | L | 74.9 | Confident | 78.6 | Confident | 159 Ų | 159 | 98 Ų | 98 | 83% | 0.832 | 52% | 0.524 | S | S | * | . | trans | -100.7 | 114.7 | 172.3 | -77.8 | 154.9 | 0 | 0 | 0 | 108.9 | V196 | L194-V196 PolarHBondContact O-N 3.24Š| ||
| 195 | P | 79.4 | Confident | 78.8 | Confident | 128 Ų | 128 | 101.2 Ų | 101.2 | 83% | 0.831 | 54% | 0.538 | S | S | * | . | trans | -70.5 | 129.6 | -177.9 | 27.3 | -33.3 | 0 | 0 | 0 | 111.2 | ||||
| 196 | V | 83.1 | Confident | 79.1 | Confident | 97 Ų | 97 | 95.9 Ų | 95.9 | 59% | 0.588 | 51% | 0.514 | S | S | * | . | trans | -108.1 | 129.6 | 174.9 | 179.9 | 0 | 0 | 0 | 0 | 109.1 | L194 A198 V200 | L194-V196 PolarHBondContact O-N 3.24Å; V196-A198 PolarHBondContact O-N 2.97Å; V196-V200 HydrophobicContact CG1-CB 3.84Å; V196-V200 HydrophobicContact CG1-CG1 3.95Å | ||
| 197 | P | 86.1 | Confident | 79.7 | Confident | 85 Ų | 85 | 94.1 Ų | 94.1 | 55% | 0.552 | 50% | 0.502 | S | S | * | . | trans | -56.2 | 134.6 | 175.1 | -24.9 | 33.9 | 0 | 0 | 0 | 111.7 | I199 V200 | P197-I199 HydrophobicContact CB-CG2 4.22Å; P197-I199 PolarHBondContact O-N 3.49Å; P197-V200 HydrophobicContact CB-CG2 4.29Å; P197-V200 WeakPolarHBondContact O-CB 3.35Å; P197-V200 PolarHBondContact O-N 3.32Å | ||
| 198 | A | 84.4 | Confident | 80.4 | Confident | 49 Ų | 49 | 91.9 Ų | 91.9 | 41% | 0.405 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -55.6 | -32.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | V196 V200 F201 F202 W305 | V196-A198 PolarHBondContact O-N 2.97Å; A198-V200 VanDerWaalsContact C-N 3.32Å; A198-V200 PolarHBondContact O-N 3.29Å; A198-F201 VanDerWaalsContact O-CB 3.3Å; A198-F201 WeakPolarHBondContact O-CB 3.38Å; A198-F201 PolarHBondContact O-N 2.98Å; A198-F201 VanDerWaalsContact O-N 3.11Å; A198-F202 HydrophobicContact CB-CE2 4.33Å; A198-F202 WeakPolarHBondContact O-CD2 3.46Å; A198-F202 PolarHBondContact O-N 3.27Å; A198-F202 VanDerWaalsContact O-N 3.12Å; A198-W305 HydrophobicContact CB-CZ2 4.46Å |
| 199 | I | 86.9 | Confident | 81.5 | Confident | 112 Ų | 112 | 86.1 Ų | 86.1 | 57% | 0.574 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -59.6 | -40.8 | 176.8 | -168 | 162.7 | 0 | 0 | 0 | 112.6 | P197 F201 F202 E203 | P197-I199 HydrophobicContact CB-CG2 4.22Å; P197-I199 PolarHBondContact O-N 3.49Å; I199-F201 PolarHBondContact O-N 3.31Å; I199-F202 PolarHBondContact O-N 2.89Å; I199-E203 WeakPolarHBondContact O-CG 3.49Å; I199-E203 PolarHBondContact O-N 3.27Å |
| 200 | V | 88.2 | Confident | 83.1 | Confident | 69 Ų | 69 | 79.4 Ų | 79.4 | 42% | 0.418 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -64.1 | -34.4 | 177.7 | -179.9 | 0 | 0 | 0 | 0 | 110.3 | V196 P197 A198 A204 | V196-V200 HydrophobicContact CG1-CB 3.84Å; V196-V200 HydrophobicContact CG1-CG1 3.95Å; P197-V200 HydrophobicContact CB-CG2 4.29Å; P197-V200 WeakPolarHBondContact O-CB 3.35Å; P197-V200 PolarHBondContact O-N 3.32Å; A198-V200 VanDerWaalsContact C-N 3.32Å; A198-V200 PolarHBondContact O-N 3.29Å; V200-A204 VanDerWaalsContact O-CB 3.22Å; V200-A204 WeakPolarHBondContact O-CB 3.49Å; V200-A204 PolarHBondContact O-N 3.35Å |
| 201 | F | 87.6 | Confident | 84.7 | Confident | 35 Ų | 35 | 72.2 Ų | 72.2 | 15% | 0.154 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -65.9 | -45.4 | 175.3 | 177.7 | -90.3 | 0 | 0 | 0 | 112.4 | A198 I199 E203 A204 F205 W305 V309 L311 | A198-F201 VanDerWaalsContact O-CB 3.3Å; A198-F201 WeakPolarHBondContact O-CB 3.38Å; A198-F201 PolarHBondContact O-N 2.98Å; A198-F201 VanDerWaalsContact O-N 3.11Å; I199-F201 PolarHBondContact O-N 3.31Å; F201-E203 VanDerWaalsContact C-N 3.32Å; F201-E203 PolarHBondContact O-N 3.49Å; F201-A204 PolarHBondContact O-N 3.26Å; F201-F205 AromaticContact CD2-CD2 3.91Å; F201-F205 HydrophobicContact CD2-CD2 3.91Å; F201-F205 AromaticContact CD2-CE2 3.99Å; F201-F205 HydrophobicContact CD2-CE2 3.99Å; F201-F205 AromaticContact CE2-CD2 3.8Å; F201-F205 HydrophobicContact CE2-CD2 3.8Å; F201-F205 AromaticContact CE2-CE2 3.88Å; F201-F205 HydrophobicContact CE2-CE2 3.88Å; F201-F205 HydrophobicContact CG-CD2 4.39Å; F201-F205 HydrophobicContact CZ-CD2 4.2Å; F201-F205 WeakPolarHBondContact O-CD2 3.39Å; F201-F205 PolarHBondContact O-N 2.95Å; F201-W305 AromaticContact CD1-CH2 3.94Å; F201-W305 HydrophobicContact CD1-CH2 3.94Å; F201-W305 HydrophobicContact CD1-CZ3 4.48Å; F201-W305 HydrophobicContact CE1-CH2 4.06Å; F201-W305 HydrophobicContact CE1-CZ3 4.18Å; F201-W305 HydrophobicContact CG-CH2 4.41Å; F201-V309 HydrophobicContact CE1-CG1 3.87Å; F201-V309 HydrophobicContact CZ-CB 4.48Å; F201-V309 HydrophobicContact CZ-CG1 3.73Å; F201-L311 HydrophobicContact CE1-CD2 4.46Å; F201-L311 HydrophobicContact CE2-CD2 4.23Å; F201-L311 HydrophobicContact CZ-CD2 3.68Å |
| 202 | F | 89 | Confident | 86.6 | Confident | 29 Ų | 29 | 67.6 Ų | 67.6 | 13% | 0.127 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -70.7 | -26.6 | 178.4 | -68.6 | -75.8 | 0 | 0 | 0 | 113.5 | A198 I199 N208 V210 N219 W305 | A198-F202 HydrophobicContact CB-CE2 4.33Å; A198-F202 WeakPolarHBondContact O-CD2 3.46Å; A198-F202 PolarHBondContact O-N 3.27Å; A198-F202 VanDerWaalsContact O-N 3.12Å; I199-F202 PolarHBondContact O-N 2.89Å; F202-N208 VanDerWaalsContact CD1-ND2 3.33Å; F202-N208 WeakPolarHBondContact CD1-ND2 3.33Å; F202-N208 VanDerWaalsContact CD1-OD1 3.24Å; F202-N208 WeakPolarHBondContact CD1-OD1 3.39Å; F202-N208 WeakPolarHBondContact CE1-OD1 3.31Å; F202-V210 HydrophobicContact CE1-CG2 3.8Å; F202-V210 HydrophobicContact CZ-CG2 3.83Å; F202-N219 HydrophobicContact CE1-CB 3.87Å; F202-N219 VanDerWaalsContact CE2-ND2 3.29Å; F202-N219 WeakPolarHBondContact CE2-ND2 3.5Å; F202-N219 HydrophobicContact CZ-CB 3.75Å; F202-N219 VanDerWaalsContact CZ-ND2 3.27Å; F202-N219 WeakPolarHBondContact CZ-ND2 3.32Å; F202-W305 HydrophobicContact CZ-CH2 4.45Å; F202-W305 HydrophobicContact CZ-CZ3 4.49Å |
| 203 | E | 85.7 | Confident | 88.1 | Confident | 135 Ų | 135 | 65.6 Ų | 65.6 | 63% | 0.631 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -74.7 | -39.9 | 170.7 | -73.2 | 179.6 | 174.3 | 0 | 0 | 112.2 | I199 F201 F205 | I199-E203 WeakPolarHBondContact O-CG 3.49Å; I199-E203 PolarHBondContact O-N 3.27Å; F201-E203 VanDerWaalsContact C-N 3.32Å; F201-E203 PolarHBondContact O-N 3.49Å; E203-F205 VanDerWaalsContact C-N 3.34Å; E203-F205 PolarHBondContact O-N 3.27Å |
| 204 | A | 87 | Confident | 89.4 | Confident | 40 Ų | 40 | 60 Ų | 60 | 33% | 0.331 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -66.5 | -35.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V200 F201 P206 H335 | V200-A204 VanDerWaalsContact O-CB 3.22Å; V200-A204 WeakPolarHBondContact O-CB 3.49Å; V200-A204 PolarHBondContact O-N 3.35Å; F201-A204 PolarHBondContact O-N 3.26Å; A204-P206 VanDerWaalsContact O-CD 3.29Å; A204-P206 WeakPolarHBondContact O-CD 3.04Å; A204-H335 PolarHBondContact O-CE1 3.25Å |
| 205 | F | 91.3 | Very high | 90.3 | Very high | 71 Ų | 71 | 53.2 Ų | 53.2 | 31% | 0.311 | 31% | 0.305 | S | S | . | . | trans | -117.5 | 79.3 | -177.8 | -59.7 | -75.4 | 0 | 0 | 0 | 111.7 | F201 E203 F207 N208 L311 | F201-F205 AromaticContact CD2-CD2 3.91Å; F201-F205 HydrophobicContact CD2-CD2 3.91Å; F201-F205 AromaticContact CD2-CE2 3.99Å; F201-F205 HydrophobicContact CD2-CE2 3.99Å; F201-F205 AromaticContact CE2-CD2 3.8Å; F201-F205 HydrophobicContact CE2-CD2 3.8Å; F201-F205 AromaticContact CE2-CE2 3.88Å; F201-F205 HydrophobicContact CE2-CE2 3.88Å; F201-F205 HydrophobicContact CG-CD2 4.39Å; F201-F205 HydrophobicContact CZ-CD2 4.2Å; F201-F205 WeakPolarHBondContact O-CD2 3.39Å; F201-F205 PolarHBondContact O-N 2.95Å; E203-F205 VanDerWaalsContact C-N 3.34Å; E203-F205 PolarHBondContact O-N 3.27Å; F205-F207 PolarHBondContact O-N 3.48Å; F205-F207 VanDerWaalsContact O-N 3.09Å; F205-N208 HydrophobicContact CB-CB 3.86Å; F205-N208 WeakPolarHBondContact O-CB 3.45Å; F205-N208 PolarHBondContact O-N 3.24Å; F205-N208 PolarHBondContact O-ND2 2.91Å; F205-L311 HydrophobicContact CB-CD2 3.98Å; F205-L311 HydrophobicContact CD1-CD2 3.97Å; F205-L311 HydrophobicContact CD2-CD2 3.9Å; F205-L311 HydrophobicContact CE1-CD2 4.46Å; F205-L311 HydrophobicContact CE2-CD2 4.4Å; F205-L311 HydrophobicContact CG-CD2 3.67Å | ||
| 206 | P | 91.1 | Very high | 91.2 | Very high | 13 Ų | 13 | 52.3 Ų | 52.3 | 8% | 0.084 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -24.5 | -168.8 | 21.9 | -33.9 | 0 | 0 | 0 | 115.4 | A204 G221 R222 S223 M224 S333 | A204-P206 VanDerWaalsContact O-CD 3.29Å; A204-P206 WeakPolarHBondContact O-CD 3.04Å; P206-G221 CarbonylContact O-C 3.55Å; P206-G221 VanDerWaalsContact O-CA 3.27Å; P206-G221 WeakPolarHBondContact O-CA 3.48Å; P206-R222 PolarHBondContact O-N 3.47Å; P206-S223 WeakPolarHBondContact CB-OG 3.15Å; P206-S223 PolarHBondContact O-N 2.96Å; P206-S223 VanDerWaalsContact O-N 3.14Å; P206-M224 PolarHBondContact O-N 2.78Å; P206-S333 VanDerWaalsContact CD-OG 3.3Å; P206-S333 WeakPolarHBondContact CD-OG 3.17Å; P206-S333 WeakPolarHBondContact CG-OG 3.45Å |
| 207 | F | 93.9 | Very high | 91.8 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 0% | 0.004 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | 20.5 | 178.1 | -67.2 | -85.1 | 0 | 0 | 0 | 113.5 | F205 M224 L295 G312 P314 L327 D331 L332 | F205-F207 PolarHBondContact O-N 3.48Å; F205-F207 VanDerWaalsContact O-N 3.09Å; F207-M224 HydrophobicContact CB-CE 4.14Å; F207-M224 HydrophobicContact CD1-CE 4.39Å; F207-M224 WeakPolarHBondContact O-CE 3.36Å; F207-L295 HydrophobicContact CB-CD2 4.25Å; F207-L295 HydrophobicContact CD1-CD2 4.16Å; F207-L295 HydrophobicContact CG-CD2 4.49Å; F207-G312 WeakPolarHBondContact CB-O 3.06Å; F207-P314 HydrophobicContact CD1-CG 4.35Å; F207-P314 VanDerWaalsContact CD2-CD 3.47Å; F207-P314 HydrophobicContact CD2-CG 4.04Å; F207-P314 HydrophobicContact CE1-CB 4.39Å; F207-P314 HydrophobicContact CE1-CG 4.06Å; F207-P314 HydrophobicContact CE2-CG 3.74Å; F207-P314 HydrophobicContact CG-CG 4.34Å; F207-P314 HydrophobicContact CZ-CG 3.75Å; F207-L327 HydrophobicContact CE1-CD1 3.73Å; F207-L327 HydrophobicContact CE1-CD2 4Å; F207-L327 HydrophobicContact CZ-CD1 3.82Å; F207-L327 HydrophobicContact CZ-CD2 3.94Å; F207-D331 VanDerWaalsContact CE2-O 3.24Å; F207-D331 WeakPolarHBondContact CE2-O 3.35Å; F207-D331 HydrophobicContact CZ-CB 4.47Å; F207-L332 HydrophobicContact CE2-CD2 3.8Å; F207-L332 HydrophobicContact CZ-CD2 4.16Å |
| 208 | N | 94.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | trans | -75 | 160.2 | 174.2 | 85.1 | 70.5 | 0 | 0 | 0 | 112.2 | F202 F205 G221 V309 F310 L311 | F202-N208 VanDerWaalsContact CD1-ND2 3.33Å; F202-N208 WeakPolarHBondContact CD1-ND2 3.33Å; F202-N208 VanDerWaalsContact CD1-OD1 3.24Å; F202-N208 WeakPolarHBondContact CD1-OD1 3.39Å; F202-N208 WeakPolarHBondContact CE1-OD1 3.31Å; F205-N208 HydrophobicContact CB-CB 3.86Å; F205-N208 WeakPolarHBondContact O-CB 3.45Å; F205-N208 PolarHBondContact O-N 3.24Å; F205-N208 PolarHBondContact O-ND2 2.91Å; N208-G221 PolarHBondContact O-N 3.46Å; N208-V309 HydrophobicContact CB-CG1 4.34Å; N208-F310 WeakPolarHBondContact CA-O 3.16Å; N208-F310 VanDerWaalsContact CB-O 3.29Å; N208-F310 WeakPolarHBondContact CB-O 3.42Å; N208-L311 HydrophobicContact CB-CD2 4.07Å | ||
| 209 | F | 95.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 153.6 | 160.6 | 62.2 | -99.5 | 0 | 0 | 0 | 111.5 | F211 L217 N219 I220 M224 V236 F240 L264 M299 V309 F310 | F209-F211 AromaticContact CD2-CD1 3.86Å; F209-F211 HydrophobicContact CD2-CD1 3.86Å; F209-F211 HydrophobicContact CD2-CE1 4.35Å; F209-F211 AromaticContact CE2-CD1 3.67Å; F209-F211 HydrophobicContact CE2-CD1 3.67Å; F209-F211 AromaticContact CE2-CE1 3.77Å; F209-F211 HydrophobicContact CE2-CE1 3.77Å; F209-L217 HydrophobicContact CB-CD2 3.86Å; F209-L217 HydrophobicContact CD2-CD2 3.43Å; F209-L217 VanDerWaalsContact CD2-CD2 3.43Å; F209-L217 HydrophobicContact CE2-CD2 4.23Å; F209-L217 HydrophobicContact CG-CD2 3.9Å; F209-N219 WeakPolarHBondContact CA-O 3.45Å; F209-I220 HydrophobicContact CB-CB 4.39Å; F209-I220 HydrophobicContact CB-CG2 3.77Å; F209-M224 HydrophobicContact CD1-CE 3.97Å; F209-V236 HydrophobicContact CE2-CG1 3.96Å; F209-V236 HydrophobicContact CE2-CG2 4.45Å; F209-V236 HydrophobicContact CZ-CG1 4.32Å; F209-F240 HydrophobicContact CD1-CE2 4.27Å; F209-F240 HydrophobicContact CD1-CZ 4.49Å; F209-F240 HydrophobicContact CE1-CD2 4.39Å; F209-F240 AromaticContact CE1-CE2 3.99Å; F209-F240 HydrophobicContact CE1-CE2 3.99Å; F209-F240 HydrophobicContact CE1-CZ 4.28Å; F209-F240 HydrophobicContact CZ-CD2 4.35Å; F209-F240 HydrophobicContact CZ-CE2 4.33Å; F209-L264 HydrophobicContact CE1-CD1 3.82Å; F209-L264 HydrophobicContact CZ-CD1 3.5Å; F209-L264 VanDerWaalsContact CZ-CD1 3.5Å; F209-M299 HydrophobicContact CZ-CE 4.39Å; F209-V309 WeakPolarHBondContact O-CA 3.39Å; F209-F310 HydrophobicContact CD1-CB 3.9Å; F209-F310 AromaticContact CD1-CD1 3.6Å; F209-F310 HydrophobicContact CD1-CD1 3.6Å; F209-F310 HydrophobicContact CD1-CG 4.11Å; F209-F310 HydrophobicContact CD2-CB 3.95Å; F209-F310 HydrophobicContact CE1-CB 3.58Å; F209-F310 AromaticContact CE1-CD1 3.15Å; F209-F310 HydrophobicContact CE1-CD1 3.15Å; F209-F310 AromaticContact CE1-CE1 3.89Å; F209-F310 HydrophobicContact CE1-CE1 3.89Å; F209-F310 AromaticContact CE1-CG 3.5Å; F209-F310 HydrophobicContact CE1-CG 3.5Å; F209-F310 VanDerWaalsContact CE1-CG 3.5Å; F209-F310 HydrophobicContact CE2-CB 3.62Å; F209-F310 HydrophobicContact CE2-CG 4.33Å; F209-F310 HydrophobicContact CG-CB 4.09Å; F209-F310 HydrophobicContact CZ-CB 3.42Å; F209-F310 VanDerWaalsContact CZ-CB 3.42Å; F209-F310 AromaticContact CZ-CD1 3.8Å; F209-F310 HydrophobicContact CZ-CD1 3.8Å; F209-F310 HydrophobicContact CZ-CD2 4.41Å; F209-F310 AromaticContact CZ-CG 3.62Å; F209-F310 HydrophobicContact CZ-CG 3.62Å; F209-F310 PolarHBondContact N-O 3.44Å; F209-F310 VanDerWaalsContact N-O 3.14Å; F209-F310 PolarHBondContact O-N 2.9Å |
| 210 | V | 95.8 | Very high | 92.9 | Very high | 4 Ų | 4 | 44 Ų | 44 | 2% | 0.024 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 133.5 | -175.4 | -173.2 | 0 | 0 | 0 | 0 | 109.5 | F202 L217 L218 N219 W305 A307 I308 V309 | F202-V210 HydrophobicContact CE1-CG2 3.8Å; F202-V210 HydrophobicContact CZ-CG2 3.83Å; V210-L217 CarbonylContact O-C 3.53Å; V210-L217 WeakPolarHBondContact O-CA 3.43Å; V210-L218 HydrophobicContact CG1-CB 4.46Å; V210-L218 HydrophobicContact CG1-CD1 4.32Å; V210-L218 PolarHBondContact O-N 2.84Å; V210-N219 PolarHBondContact N-O 3.4Å; V210-N219 PolarHBondContact O-N 2.83Å; V210-W305 HydrophobicContact CG1-CE3 4.07Å; V210-W305 HydrophobicContact CG1-CZ3 4.48Å; V210-W305 HydrophobicContact CG2-CE3 4.4Å; V210-W305 HydrophobicContact CG2-CZ3 3.99Å; V210-A307 HydrophobicContact CG1-CB 3.67Å; V210-I308 WeakPolarHBondContact CA-O 3.48Å; V210-V309 HydrophobicContact CG1-CG2 4.19Å; V210-V309 HydrophobicContact CG2-CB 4.4Å; V210-V309 HydrophobicContact CG2-CG1 4.04Å; V210-V309 HydrophobicContact CG2-CG2 3.85Å |
| 211 | F | 96.6 | Very high | 93 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 149.8 | 175.6 | 62.1 | -82.9 | 0 | 0 | 0 | 112.6 | F209 M215 K216 L217 V236 W251 I254 M299 A307 I308 | F209-F211 AromaticContact CD2-CD1 3.86Å; F209-F211 HydrophobicContact CD2-CD1 3.86Å; F209-F211 HydrophobicContact CD2-CE1 4.35Å; F209-F211 AromaticContact CE2-CD1 3.67Å; F209-F211 HydrophobicContact CE2-CD1 3.67Å; F209-F211 AromaticContact CE2-CE1 3.77Å; F209-F211 HydrophobicContact CE2-CE1 3.77Å; F211-M215 HydrophobicContact CD2-CE 4.42Å; F211-M215 HydrophobicContact CD2-SD 3.97Å; F211-M215 HydrophobicContact CE2-CE 3.97Å; F211-M215 HydrophobicContact CE2-SD 3.67Å; F211-K216 WeakPolarHBondContact CA-O 3.29Å; F211-K216 VanDerWaalsContact CB-O 3.32Å; F211-K216 WeakPolarHBondContact CB-O 3.22Å; F211-L217 HydrophobicContact CB-CD2 4.36Å; F211-V236 HydrophobicContact CB-CG2 3.51Å; F211-V236 HydrophobicContact CD1-CG2 3.93Å; F211-V236 HydrophobicContact CD2-CG2 4.21Å; F211-V236 HydrophobicContact CG-CG2 3.64Å; F211-W251 HydrophobicContact CE2-CE3 4.28Å; F211-I254 HydrophobicContact CE2-CD1 4.13Å; F211-I254 HydrophobicContact CZ-CD1 3.85Å; F211-M299 HydrophobicContact CE1-CE 4.39Å; F211-M299 HydrophobicContact CE1-SD 3.88Å; F211-M299 HydrophobicContact CZ-SD 4.08Å; F211-A307 WeakPolarHBondContact O-CA 3.35Å; F211-A307 WeakPolarHBondContact O-CB 3.46Å; F211-I308 HydrophobicContact CD1-CB 4.26Å; F211-I308 HydrophobicContact CD1-CG2 4.43Å; F211-I308 HydrophobicContact CD2-CB 4.38Å; F211-I308 HydrophobicContact CE1-CB 3.72Å; F211-I308 HydrophobicContact CE1-CG2 3.52Å; F211-I308 HydrophobicContact CE2-CB 3.87Å; F211-I308 HydrophobicContact CE2-CD1 3.7Å; F211-I308 HydrophobicContact CE2-CG1 4.32Å; F211-I308 HydrophobicContact CE2-CG2 4.31Å; F211-I308 HydrophobicContact CZ-CB 3.5Å; F211-I308 HydrophobicContact CZ-CD1 3.76Å; F211-I308 HydrophobicContact CZ-CG1 4.23Å; F211-I308 HydrophobicContact CZ-CG2 3.45Å; F211-I308 VanDerWaalsContact CZ-CG2 3.45Å; F211-I308 PolarHBondContact N-O 2.7Å; F211-I308 PolarHBondContact O-N 3.22Å |
| 212 | N | 95.8 | Very high | 93.1 | Very high | 51 Ų | 51 | 48.1 Ų | 48.1 | 27% | 0.273 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | -179.1 | -179.3 | 68.6 | 5.2 | 0 | 0 | 0 | 112.6 | G214 M215 K216 L218 W251 | N212-G214 PolarHBondContact O-N 3.33Å; N212-G214 VanDerWaalsContact O-N 3.09Å; N212-G214 WeakPolarHBondContact OD1-CA 3.28Å; N212-G214 PolarHBondContact OD1-N 3.22Å; N212-M215 PolarHBondContact O-N 3.36Å; N212-M215 PolarHBondContact OD1-N 3.2Å; N212-K216 PolarHBondContact N-O 3.33Å; N212-K216 WeakPolarHBondContact OD1-CB 3.48Å; N212-K216 PolarHBondContact OD1-N 3.03Å; N212-K216 VanDerWaalsContact OD1-N 3.09Å; N212-L218 HydrophobicContact CB-CD1 4.13Å; N212-L218 HydrophobicContact CB-CD2 4.31Å; N212-L218 HydrophobicContact CB-CG 4.31Å; N212-W251 VanDerWaalsContact C-CZ3 3.44Å |
| 213 | R | 94.6 | Very high | 93.1 | Very high | 129 Ų | 129 | 47 Ų | 47 | 49% | 0.487 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | -28.6 | 174.7 | -66.1 | -178.9 | -178.6 | -86.4 | -6 | 114.7 | M215 W251 Y301 D306 | R213-M215 PolarHBondContact O-N 3.29Å; R213-W251 VanDerWaalsContact CA-CE3 3.47Å; R213-W251 HydrophobicContact CB-CD2 4.4Å; R213-W251 HydrophobicContact CB-CE3 4.42Å; R213-W251 HydrophobicContact CG-CD2 4.08Å; R213-W251 HydrophobicContact CG-CE3 4.26Å; R213-W251 HydrophobicContact CG-CH2 3.85Å; R213-W251 HydrophobicContact CG-CZ2 3.7Å; R213-W251 HydrophobicContact CG-CZ3 4.14Å; R213-Y301 PolarHBondContact NH2-OH 3.27Å; R213-D306 IonicContact CZ-OD1 3.77Å; R213-D306 IonicContact CZ-OD2 3.7Å; R213-D306 VanDerWaalsContact NE-CG 3.34Å; R213-D306 IonicContact NE-OD1 2.63Å; R213-D306 PolarHBondContact NE-OD1 3.22Å; R213-D306 IonicContact NE-OD2 2.61Å; R213-D306 PolarHBondContact NE-OD2 3.01Å; R213-D306 IonicContact NH2-OD1 3.35Å; R213-D306 PolarHBondContact NH2-OD1 2.79Å |
| 214 | G | 95.3 | Very high | 93.4 | Very high | 52 Ų | 52 | 40.6 Ų | 40.6 | 54% | 0.536 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 10.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | N212 K216 | N212-G214 PolarHBondContact O-N 3.33Å; N212-G214 VanDerWaalsContact O-N 3.09Å; N212-G214 WeakPolarHBondContact OD1-CA 3.28Å; N212-G214 PolarHBondContact OD1-N 3.22Å; G214-K216 PolarHBondContact O-N 3.2Å; G214-K216 VanDerWaalsContact O-N 3.16Å |
| 215 | M | 95.1 | Very high | 93.5 | Very high | 17 Ų | 17 | 40.4 Ų | 40.4 | 8% | 0.084 | 20% | 0.201 | C | C | . | . | S | Bend | trans | 58.5 | 21.4 | -175 | -56.5 | -64.4 | -68.9 | 0 | 0 | 113.7 | F211 N212 R213 N235 V236 V237 F249 W251 I254 | F211-M215 HydrophobicContact CD2-CE 4.42Å; F211-M215 HydrophobicContact CD2-SD 3.97Å; F211-M215 HydrophobicContact CE2-CE 3.97Å; F211-M215 HydrophobicContact CE2-SD 3.67Å; N212-M215 PolarHBondContact O-N 3.36Å; N212-M215 PolarHBondContact OD1-N 3.2Å; R213-M215 PolarHBondContact O-N 3.29Å; M215-N235 WeakPolarHBondContact CB-OD1 3.35Å; M215-N235 CarbonylContact O-C 3.6Å; M215-N235 WeakPolarHBondContact O-CA 3.33Å; M215-N235 PolarHBondContact O-OD1 2.61Å; M215-V236 WeakPolarHBondContact O-CG2 3.22Å; M215-V236 PolarHBondContact O-N 2.89Å; M215-V237 HydrophobicContact CE-CG2 3.76Å; M215-F249 HydrophobicContact CE-CD2 4.22Å; M215-F249 HydrophobicContact CE-CE2 4.3Å; M215-W251 HydrophobicContact SD-CB 4.24Å; M215-I254 HydrophobicContact CE-CD1 4Å |
| 216 | K | 96.7 | Very high | 93.4 | Very high | 109 Ų | 109 | 41.1 Ų | 41.1 | 47% | 0.474 | 21% | 0.208 | S | C | . | . | B | Isolated β-bridge | trans | -92.9 | 129.1 | -179.9 | -167.8 | -176.9 | -174.6 | -176.1 | 0 | 110.2 | F211 N212 G214 L218 G233 | F211-K216 WeakPolarHBondContact CA-O 3.29Å; F211-K216 VanDerWaalsContact CB-O 3.32Å; F211-K216 WeakPolarHBondContact CB-O 3.22Å; N212-K216 PolarHBondContact N-O 3.33Å; N212-K216 WeakPolarHBondContact OD1-CB 3.48Å; N212-K216 PolarHBondContact OD1-N 3.03Å; N212-K216 VanDerWaalsContact OD1-N 3.09Å; G214-K216 PolarHBondContact O-N 3.2Å; G214-K216 VanDerWaalsContact O-N 3.16Å; K216-L218 PolarHBondContact O-N 3.38Å; K216-G233 WeakPolarHBondContact CE-O 3.49Å; K216-G233 WeakPolarHBondContact CG-O 3.26Å |
| 217 | L | 96 | Very high | 93.2 | Very high | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 121.1 | 175.2 | -75.6 | 174.6 | 0 | 0 | 0 | 110.8 | F209 V210 F211 I231 G233 K234 V236 I239 | F209-L217 HydrophobicContact CB-CD2 3.86Å; F209-L217 HydrophobicContact CD2-CD2 3.43Å; F209-L217 VanDerWaalsContact CD2-CD2 3.43Å; F209-L217 HydrophobicContact CE2-CD2 4.23Å; F209-L217 HydrophobicContact CG-CD2 3.9Å; V210-L217 CarbonylContact O-C 3.53Å; V210-L217 WeakPolarHBondContact O-CA 3.43Å; F211-L217 HydrophobicContact CB-CD2 4.36Å; L217-I231 HydrophobicContact CD1-CB 4.17Å; L217-I231 HydrophobicContact CD1-CD1 4.01Å; L217-I231 HydrophobicContact CD1-CG1 4.09Å; L217-G233 WeakPolarHBondContact O-CA 3.32Å; L217-G233 PolarHBondContact O-N 3.47Å; L217-K234 PolarHBondContact N-O 3.3Å; L217-V236 HydrophobicContact CD2-CG2 3.58Å; L217-V236 HydrophobicContact CG-CG2 3.64Å; L217-I239 HydrophobicContact CD1-CD1 3.39Å |
| 218 | L | 94.3 | Very high | 93 | Very high | 80 Ų | 80 | 41.2 Ų | 41.2 | 42% | 0.419 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | -46.6 | 176.5 | -61 | -177 | 0 | 0 | 0 | 111.5 | V210 N212 K216 V232 A307 | V210-L218 HydrophobicContact CG1-CB 4.46Å; V210-L218 HydrophobicContact CG1-CD1 4.32Å; V210-L218 PolarHBondContact O-N 2.84Å; N212-L218 HydrophobicContact CB-CD1 4.13Å; N212-L218 HydrophobicContact CB-CD2 4.31Å; N212-L218 HydrophobicContact CB-CG 4.31Å; K216-L218 PolarHBondContact O-N 3.38Å; L218-V232 WeakPolarHBondContact O-CG1 3.44Å; L218-A307 HydrophobicContact CD1-CB 4.2Å |
| 219 | N | 92.4 | Very high | 92.6 | Very high | 71 Ų | 71 | 45 Ų | 45 | 38% | 0.38 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 158.1 | -177.8 | -151.9 | 3.1 | 0 | 0 | 0 | 111.2 | F202 F209 V210 | F202-N219 HydrophobicContact CE1-CB 3.87Å; F202-N219 VanDerWaalsContact CE2-ND2 3.29Å; F202-N219 WeakPolarHBondContact CE2-ND2 3.5Å; F202-N219 HydrophobicContact CZ-CB 3.75Å; F202-N219 VanDerWaalsContact CZ-ND2 3.27Å; F202-N219 WeakPolarHBondContact CZ-ND2 3.32Å; F209-N219 WeakPolarHBondContact CA-O 3.45Å; V210-N219 PolarHBondContact N-O 3.4Å; V210-N219 PolarHBondContact O-N 2.83Å |
| 220 | I | 93.6 | Very high | 92.2 | Very high | 16 Ų | 16 | 51.7 Ų | 51.7 | 8% | 0.082 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 152.1 | -179.3 | 64.2 | 179.5 | 0 | 0 | 0 | 110.7 | F209 M224 A225 I231 V232 | F209-I220 HydrophobicContact CB-CB 4.39Å; F209-I220 HydrophobicContact CB-CG2 3.77Å; I220-M224 HydrophobicContact CB-CB 4.35Å; I220-M224 HydrophobicContact CB-CG 4.27Å; I220-A225 HydrophobicContact CD1-CB 3.59Å; I220-A225 HydrophobicContact CG1-CB 4.01Å; I220-I231 HydrophobicContact CD1-CD1 4.08Å; I220-I231 HydrophobicContact CD1-CG1 3.7Å; I220-I231 HydrophobicContact CG2-CD1 4.1Å; I220-I231 HydrophobicContact CG2-CG1 4.24Å; I220-V232 HydrophobicContact CD1-CG2 3.77Å; I220-V232 HydrophobicContact CG1-CG2 3.74Å; I220-V232 HydrophobicContact CG2-CG2 4.15Å |
| 221 | G | 91.7 | Very high | 92 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.27 | C | S | . | . | trans | -65.9 | 157.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | P206 N208 S223 M224 A225 | P206-G221 CarbonylContact O-C 3.55Å; P206-G221 VanDerWaalsContact O-CA 3.27Å; P206-G221 WeakPolarHBondContact O-CA 3.48Å; N208-G221 PolarHBondContact O-N 3.46Å; G221-S223 PolarHBondContact O-N 3.05Å; G221-M224 WeakPolarHBondContact O-CB 3.43Å; G221-M224 PolarHBondContact O-N 2.87Å; G221-A225 PolarHBondContact O-N 2.69Å | ||
| 222 | R | 88.9 | Confident | 91.9 | Very high | 191 Ų | 191 | 55.5 Ų | 55.5 | 72% | 0.721 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -59.6 | -45.8 | -173.4 | -175 | 176.6 | -179.6 | 175.8 | -1.1 | 112.9 | P206 A225 N226 | P206-R222 PolarHBondContact O-N 3.47Å; R222-A225 WeakPolarHBondContact O-CB 3.5Å; R222-A225 PolarHBondContact O-N 2.96Å; R222-N226 PolarHBondContact O-N 3.06Å; R222-N226 VanDerWaalsContact O-N 3.14Å |
| 223 | S | 89.9 | Confident | 91.8 | Very high | 6 Ų | 6 | 54.7 Ų | 54.7 | 4% | 0.042 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -75.5 | -29 | -179.1 | -56.6 | 0 | 0 | 0 | 0 | 112.3 | P206 G221 A225 N226 A227 D331 | P206-S223 WeakPolarHBondContact CB-OG 3.15Å; P206-S223 PolarHBondContact O-N 2.96Å; P206-S223 VanDerWaalsContact O-N 3.14Å; G221-S223 PolarHBondContact O-N 3.05Å; S223-A225 VanDerWaalsContact C-N 3.3Å; S223-A225 PolarHBondContact O-N 2.74Å; S223-N226 PolarHBondContact O-N 3.15Å; S223-A227 PolarHBondContact O-N 3.42Å; S223-A227 VanDerWaalsContact O-N 3.11Å; S223-D331 WeakPolarHBondContact OG-CA 3.3Å; S223-D331 WeakPolarHBondContact OG-CB 3.46Å; S223-D331 PolarHBondContact OG-O 2.76Å; S223-D331 PolarHBondContact OG-OD1 2.91Å |
| 224 | M | 90.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.8 | -42.5 | 166.8 | -170.9 | 66.4 | 76.5 | 0 | 0 | 111.4 | P206 F207 F209 I220 G221 N226 A227 L228 I231 F240 L293 L295 | P206-M224 PolarHBondContact O-N 2.78Å; F207-M224 HydrophobicContact CB-CE 4.14Å; F207-M224 HydrophobicContact CD1-CE 4.39Å; F207-M224 WeakPolarHBondContact O-CE 3.36Å; F209-M224 HydrophobicContact CD1-CE 3.97Å; I220-M224 HydrophobicContact CB-CB 4.35Å; I220-M224 HydrophobicContact CB-CG 4.27Å; G221-M224 WeakPolarHBondContact O-CB 3.43Å; G221-M224 PolarHBondContact O-N 2.87Å; M224-N226 VanDerWaalsContact C-N 3.3Å; M224-N226 PolarHBondContact O-N 3.11Å; M224-A227 PolarHBondContact O-N 3.37Å; M224-L228 PolarHBondContact O-N 2.94Å; M224-L228 HydrophobicContact SD-CD1 4.13Å; M224-I231 HydrophobicContact CG-CD1 4.3Å; M224-F240 HydrophobicContact SD-CZ 4.15Å; M224-L293 HydrophobicContact SD-CD2 3.83Å; M224-L295 HydrophobicContact CE-CD1 3.26Å; M224-L295 HydrophobicContact CE-CD2 3.89Å; M224-L295 HydrophobicContact CE-CG 4.22Å; M224-L295 HydrophobicContact SD-CD1 3.99Å |
| 225 | A | 90.3 | Very high | 91.8 | Very high | 36 Ų | 36 | 53.8 Ų | 53.8 | 30% | 0.298 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65.2 | -33.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | I220 G221 R222 S223 L228 P229 | I220-A225 HydrophobicContact CD1-CB 3.59Å; I220-A225 HydrophobicContact CG1-CB 4.01Å; G221-A225 PolarHBondContact O-N 2.69Å; R222-A225 WeakPolarHBondContact O-CB 3.5Å; R222-A225 PolarHBondContact O-N 2.96Å; S223-A225 VanDerWaalsContact C-N 3.3Å; S223-A225 PolarHBondContact O-N 2.74Å; A225-L228 CarbonylContact O-C 3.42Å; A225-P229 WeakPolarHBondContact O-CA 3.02Å |
| 226 | N | 87.9 | Confident | 91.8 | Very high | 85 Ų | 85 | 53 Ų | 53 | 46% | 0.455 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -66.8 | -45.8 | 174.5 | -67.3 | -15.5 | 0 | 0 | 0 | 111.5 | R222 S223 M224 D331 | R222-N226 PolarHBondContact O-N 3.06Å; R222-N226 VanDerWaalsContact O-N 3.14Å; S223-N226 PolarHBondContact O-N 3.15Å; M224-N226 VanDerWaalsContact C-N 3.3Å; M224-N226 PolarHBondContact O-N 3.11Å; N226-D331 PolarHBondContact ND2-OD1 3.3Å; N226-D331 VanDerWaalsContact ND2-OD1 3.16Å |
| 227 | A | 87.5 | Confident | 91.7 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.008 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -73.1 | -37.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | S223 M224 L293 I325 L327 | S223-A227 PolarHBondContact O-N 3.42Å; S223-A227 VanDerWaalsContact O-N 3.11Å; M224-A227 PolarHBondContact O-N 3.37Å; A227-L293 HydrophobicContact CB-CD2 4Å; A227-I325 HydrophobicContact CB-CG2 3.77Å; A227-L327 HydrophobicContact CB-CD1 4.24Å; A227-L327 HydrophobicContact CB-CD2 3.98Å; A227-L327 HydrophobicContact CB-CG 4.13Å |
| 228 | L | 89.3 | Confident | 91.5 | Very high | 15 Ų | 15 | 56 Ų | 56 | 8% | 0.079 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -130.1 | 82.5 | -176.5 | -67.4 | 173.2 | 0 | 0 | 0 | 109.9 | M224 A225 I231 I239 F240 I269 L293 | M224-L228 PolarHBondContact O-N 2.94Å; M224-L228 HydrophobicContact SD-CD1 4.13Å; A225-L228 CarbonylContact O-C 3.42Å; L228-I231 HydrophobicContact CB-CD1 3.85Å; L228-I231 HydrophobicContact CB-CG1 4.46Å; L228-I231 HydrophobicContact CB-CG2 3.97Å; L228-I231 HydrophobicContact CD1-CD1 4.38Å; L228-I231 WeakPolarHBondContact O-CG1 3.24Å; L228-I239 HydrophobicContact CD1-CG2 4.39Å; L228-F240 HydrophobicContact CD1-CE1 3.68Å; L228-F240 HydrophobicContact CD1-CZ 3.6Å; L228-I269 HydrophobicContact CD2-CD1 4.15Å; L228-I269 HydrophobicContact CD2-CG1 3.73Å; L228-L293 HydrophobicContact CD1-CD2 4.05Å; L228-L293 HydrophobicContact CG-CD2 4.39Å |
| 229 | P | 86.9 | Confident | 91.4 | Very high | 80 Ų | 80 | 52.8 Ų | 52.8 | 52% | 0.519 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | 150.8 | -179.1 | 27 | -33.8 | 0 | 0 | 0 | 111.9 | A225 I231 | A225-P229 WeakPolarHBondContact O-CA 3.02Å; P229-I231 VanDerWaalsContact C-N 3.3Å; P229-I231 PolarHBondContact O-N 3.21Å |
| 230 | N | 87.7 | Confident | 91.6 | Very high | 141 Ų | 141 | 49.5 Ų | 49.5 | 75% | 0.754 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.5 | 35.1 | 171.7 | -54.7 | -38.5 | 0 | 0 | 0 | 115 | K234 | N230-K234 VanDerWaalsContact O-CE 3.24Å; N230-K234 WeakPolarHBondContact O-CE 3.3Å; N230-K234 PolarHBondContact O-NZ 3.22Å; N230-K234 VanDerWaalsContact O-NZ 3.16Å |
| 231 | I | 91.9 | Very high | 91.6 | Very high | 9 Ų | 9 | 53.7 Ų | 53.7 | 5% | 0.046 | 29% | 0.29 | C | S | . | . | trans | -93.1 | -19.3 | 174.4 | 64.6 | 170.1 | 0 | 0 | 0 | 113.9 | L217 I220 M224 L228 P229 G233 K234 I239 | L217-I231 HydrophobicContact CD1-CB 4.17Å; L217-I231 HydrophobicContact CD1-CD1 4.01Å; L217-I231 HydrophobicContact CD1-CG1 4.09Å; I220-I231 HydrophobicContact CD1-CD1 4.08Å; I220-I231 HydrophobicContact CD1-CG1 3.7Å; I220-I231 HydrophobicContact CG2-CD1 4.1Å; I220-I231 HydrophobicContact CG2-CG1 4.24Å; M224-I231 HydrophobicContact CG-CD1 4.3Å; L228-I231 HydrophobicContact CB-CD1 3.85Å; L228-I231 HydrophobicContact CB-CG1 4.46Å; L228-I231 HydrophobicContact CB-CG2 3.97Å; L228-I231 HydrophobicContact CD1-CD1 4.38Å; L228-I231 WeakPolarHBondContact O-CG1 3.24Å; P229-I231 VanDerWaalsContact C-N 3.3Å; P229-I231 PolarHBondContact O-N 3.21Å; I231-G233 PolarHBondContact O-N 2.9Å; I231-K234 WeakPolarHBondContact O-CB 3.24Å; I231-K234 PolarHBondContact O-N 3.39Å; I231-K234 VanDerWaalsContact O-N 3.09Å; I231-I239 HydrophobicContact CB-CD1 3.67Å; I231-I239 HydrophobicContact CG2-CD1 4.08Å; I231-I239 HydrophobicContact CG2-CG1 4.42Å; I231-I239 HydrophobicContact CG2-CG2 4.24Å | ||
| 232 | V | 93.7 | Very high | 91.7 | Very high | 74 Ų | 74 | 55 Ų | 55 | 45% | 0.448 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | 133.4 | 178 | -178.2 | 0 | 0 | 0 | 0 | 109.8 | L218 I220 K234 | L218-V232 WeakPolarHBondContact O-CG1 3.44Å; I220-V232 HydrophobicContact CD1-CG2 3.77Å; I220-V232 HydrophobicContact CG1-CG2 3.74Å; I220-V232 HydrophobicContact CG2-CG2 4.15Å; V232-K234 VanDerWaalsContact C-N 3.33Å |
| 233 | G | 93.6 | Very high | 91.7 | Very high | 34 Ų | 34 | 47.9 Ų | 47.9 | 35% | 0.351 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.9 | -6.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | K216 L217 I231 | K216-G233 WeakPolarHBondContact CE-O 3.49Å; K216-G233 WeakPolarHBondContact CG-O 3.26Å; L217-G233 WeakPolarHBondContact O-CA 3.32Å; L217-G233 PolarHBondContact O-N 3.47Å; I231-G233 PolarHBondContact O-N 2.9Å |
| 234 | K | 95.1 | Very high | 91.5 | Very high | 109 Ų | 109 | 51.5 Ų | 51.5 | 47% | 0.474 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -85.7 | 168.4 | 171 | -62.9 | -179.4 | -177.7 | 166.5 | 0 | 111.2 | L217 N230 I231 V232 I239 | L217-K234 PolarHBondContact N-O 3.3Å; N230-K234 VanDerWaalsContact O-CE 3.24Å; N230-K234 WeakPolarHBondContact O-CE 3.3Å; N230-K234 PolarHBondContact O-NZ 3.22Å; N230-K234 VanDerWaalsContact O-NZ 3.16Å; I231-K234 WeakPolarHBondContact O-CB 3.24Å; I231-K234 PolarHBondContact O-N 3.39Å; I231-K234 VanDerWaalsContact O-N 3.09Å; V232-K234 VanDerWaalsContact C-N 3.33Å; K234-I239 HydrophobicContact CB-CD1 3.72Å; K234-I239 HydrophobicContact CB-CG1 4.39Å; K234-I239 HydrophobicContact CD-CD1 4.43Å |
| 235 | N | 95.6 | Very high | 91.1 | Very high | 54 Ų | 54 | 52.6 Ų | 52.6 | 29% | 0.289 | 30% | 0.296 | S | S | . | . | B | Isolated β-bridge | trans | -75 | 132.6 | 172.8 | -165.1 | -41.4 | 0 | 0 | 0 | 109.8 | M215 V237 D238 | M215-N235 WeakPolarHBondContact CB-OD1 3.35Å; M215-N235 CarbonylContact O-C 3.6Å; M215-N235 WeakPolarHBondContact O-CA 3.33Å; M215-N235 PolarHBondContact O-OD1 2.61Å; N235-V237 PolarHBondContact O-N 2.81Å; N235-V237 WeakPolarHBondContact OD1-CG2 3.47Å; N235-V237 PolarHBondContact OD1-N 2.83Å; N235-D238 HydrophobicContact CB-CB 4.34Å; N235-D238 WeakPolarHBondContact CB-OD2 3.46Å; N235-D238 WeakPolarHBondContact O-CB 3.27Å; N235-D238 PolarHBondContact O-N 3.46Å; N235-D238 VanDerWaalsContact O-N 3.12Å |
| 236 | V | 94.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -56.3 | -39.5 | 178.3 | 179.1 | 0 | 0 | 0 | 0 | 110.9 | F209 F211 M215 L217 D238 I239 F240 F249 | F209-V236 HydrophobicContact CE2-CG1 3.96Å; F209-V236 HydrophobicContact CE2-CG2 4.45Å; F209-V236 HydrophobicContact CZ-CG1 4.32Å; F211-V236 HydrophobicContact CB-CG2 3.51Å; F211-V236 HydrophobicContact CD1-CG2 3.93Å; F211-V236 HydrophobicContact CD2-CG2 4.21Å; F211-V236 HydrophobicContact CG-CG2 3.64Å; M215-V236 WeakPolarHBondContact O-CG2 3.22Å; M215-V236 PolarHBondContact O-N 2.89Å; L217-V236 HydrophobicContact CD2-CG2 3.58Å; L217-V236 HydrophobicContact CG-CG2 3.64Å; V236-D238 PolarHBondContact O-N 3.41Å; V236-I239 PolarHBondContact O-N 2.9Å; V236-I239 VanDerWaalsContact O-N 3.1Å; V236-F240 HydrophobicContact CG1-CD2 4.11Å; V236-F240 PolarHBondContact O-N 3.18Å; V236-F249 HydrophobicContact CG1-CE1 3.79Å; V236-F249 HydrophobicContact CG1-CZ 3.54Å |
| 237 | V | 93.6 | Very high | 90.4 | Very high | 66 Ų | 66 | 55.1 Ų | 55.1 | 40% | 0.4 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -67.6 | -27.3 | -177.6 | -174.3 | 0 | 0 | 0 | 0 | 111.8 | M215 N235 I239 F249 | M215-V237 HydrophobicContact CE-CG2 3.76Å; N235-V237 PolarHBondContact O-N 2.81Å; N235-V237 WeakPolarHBondContact OD1-CG2 3.47Å; N235-V237 PolarHBondContact OD1-N 2.83Å; V237-I239 VanDerWaalsContact C-N 3.27Å; V237-I239 PolarHBondContact O-N 2.82Å; V237-F249 HydrophobicContact CB-CD1 4.42Å; V237-F249 HydrophobicContact CG1-CD1 4.46Å; V237-F249 HydrophobicContact CG2-CB 4.46Å; V237-F249 HydrophobicContact CG2-CD1 3.98Å; V237-F249 HydrophobicContact CG2-CG 4.26Å; V237-F249 WeakPolarHBondContact CG2-O 3.38Å |
| 238 | D | 92.7 | Very high | 90.5 | Very high | 108 Ų | 108 | 58.8 Ų | 58.8 | 58% | 0.578 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -77.5 | -16.6 | 176.7 | -62.3 | -21.6 | 0 | 0 | 0 | 112 | N235 V236 N267 | N235-D238 HydrophobicContact CB-CB 4.34Å; N235-D238 WeakPolarHBondContact CB-OD2 3.46Å; N235-D238 WeakPolarHBondContact O-CB 3.27Å; N235-D238 PolarHBondContact O-N 3.46Å; N235-D238 VanDerWaalsContact O-N 3.12Å; V236-D238 PolarHBondContact O-N 3.41Å; D238-N267 PolarHBondContact O-ND2 3.32Å |
| 239 | I | 92.3 | Very high | 90.7 | Very high | 13 Ų | 13 | 59.2 Ų | 59.2 | 7% | 0.067 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -105.2 | -40.2 | -175.1 | -61.9 | 159 | 0 | 0 | 0 | 111.5 | L217 L228 I231 K234 V236 V237 S266 N267 | L217-I239 HydrophobicContact CD1-CD1 3.39Å; L228-I239 HydrophobicContact CD1-CG2 4.39Å; I231-I239 HydrophobicContact CB-CD1 3.67Å; I231-I239 HydrophobicContact CG2-CD1 4.08Å; I231-I239 HydrophobicContact CG2-CG1 4.42Å; I231-I239 HydrophobicContact CG2-CG2 4.24Å; K234-I239 HydrophobicContact CB-CD1 3.72Å; K234-I239 HydrophobicContact CB-CG1 4.39Å; K234-I239 HydrophobicContact CD-CD1 4.43Å; V236-I239 PolarHBondContact O-N 2.9Å; V236-I239 VanDerWaalsContact O-N 3.1Å; V237-I239 VanDerWaalsContact C-N 3.27Å; V237-I239 PolarHBondContact O-N 2.82Å; I239-S266 CarbonylContact O-C 2.96Å; I239-S266 WeakPolarHBondContact O-CA 3.37Å; I239-N267 PolarHBondContact O-N 3.41Å |
| 240 | F | 95.1 | Very high | 91 | Very high | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.009 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 133.2 | -173.2 | -63.3 | -74.5 | 0 | 0 | 0 | 111.7 | F209 M224 L228 V236 F249 L264 T265 L295 | F209-F240 HydrophobicContact CD1-CE2 4.27Å; F209-F240 HydrophobicContact CD1-CZ 4.49Å; F209-F240 HydrophobicContact CE1-CD2 4.39Å; F209-F240 AromaticContact CE1-CE2 3.99Å; F209-F240 HydrophobicContact CE1-CE2 3.99Å; F209-F240 HydrophobicContact CE1-CZ 4.28Å; F209-F240 HydrophobicContact CZ-CD2 4.35Å; F209-F240 HydrophobicContact CZ-CE2 4.33Å; M224-F240 HydrophobicContact SD-CZ 4.15Å; L228-F240 HydrophobicContact CD1-CE1 3.68Å; L228-F240 HydrophobicContact CD1-CZ 3.6Å; V236-F240 HydrophobicContact CG1-CD2 4.11Å; V236-F240 PolarHBondContact O-N 3.18Å; F240-F249 HydrophobicContact CB-CE1 4.18Å; F240-F249 WeakPolarHBondContact O-CE1 3.46Å; F240-L264 HydrophobicContact CB-CB 4.32Å; F240-L264 HydrophobicContact CD1-CB 4.28Å; F240-T265 WeakPolarHBondContact CA-O 3.38Å; F240-L295 HydrophobicContact CD1-CD1 4.36Å; F240-L295 HydrophobicContact CE1-CD1 3.61Å; F240-L295 HydrophobicContact CZ-CD1 4.08Å |
| 241 | L | 94 | Very high | 91.2 | Very high | 104 Ų | 104 | 52.2 Ų | 52.2 | 55% | 0.545 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 120.7 | 166.6 | -174.1 | 80.8 | 0 | 0 | 0 | 109.8 | S243 L264 T265 | L241-S243 PolarHBondContact O-N 3.33Å; L241-S243 VanDerWaalsContact O-N 3.15Å; L241-S243 PolarHBondContact O-OG 3.03Å; L241-L264 WeakPolarHBondContact O-CA 3.43Å; L241-T265 PolarHBondContact N-O 3.49Å; L241-T265 PolarHBondContact O-N 3.38Å |
| 242 | L | 94 | Very high | 91.1 | Very high | 26 Ų | 26 | 57.3 Ų | 57.3 | 14% | 0.136 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 108.6 | 169.6 | -178.8 | 60.2 | 0 | 0 | 0 | 110.2 | R244 I247 F249 F262 L264 | L242-R244 WeakPolarHBondContact CD1-O 3.21Å; L242-I247 HydrophobicContact CD2-CD1 4.32Å; L242-I247 HydrophobicContact CD2-CG1 3.59Å; L242-F249 HydrophobicContact CB-CB 3.96Å; L242-F249 HydrophobicContact CB-CD1 3.93Å; L242-F249 HydrophobicContact CB-CD2 4.14Å; L242-F249 HydrophobicContact CB-CE1 4.43Å; L242-F249 HydrophobicContact CB-CG 3.77Å; L242-F249 HydrophobicContact CD2-CB 4.06Å; L242-F249 HydrophobicContact CD2-CD2 3.91Å; L242-F249 HydrophobicContact CD2-CG 4.13Å; L242-F262 HydrophobicContact CD1-CD1 3.69Å; L242-F262 HydrophobicContact CD1-CE1 4.46Å; L242-L264 HydrophobicContact CB-CD2 4.18Å; L242-L264 HydrophobicContact CD1-CD2 3.58Å |
| 243 | S | 88.7 | Confident | 90.8 | Very high | 43 Ų | 43 | 56 Ų | 56 | 30% | 0.301 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | -41 | 179.9 | -55.3 | 0 | 0 | 0 | 0 | 111.3 | L241 E263 T265 | L241-S243 PolarHBondContact O-N 3.33Å; L241-S243 VanDerWaalsContact O-N 3.15Å; L241-S243 PolarHBondContact O-OG 3.03Å; S243-E263 WeakPolarHBondContact CA-O 3.35Å; S243-E263 WeakPolarHBondContact CB-O 3.24Å; S243-E263 PolarHBondContact N-O 3.31Å; S243-T265 PolarHBondContact OG-OG1 2.99Å |
| 244 | R | 85.6 | Confident | 90.7 | Very high | 81 Ų | 81 | 54.4 Ų | 54.4 | 31% | 0.306 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 145.4 | 173 | -61.2 | -169.3 | 177.5 | 176.5 | 7 | 111 | E105 L242 F262 E263 | E105-R244 WeakPolarHBondContact OE1-CD 3.42Å; E105-R244 IonicContact OE1-CZ 3.94Å; E105-R244 IonicContact OE1-NE 3.93Å; E105-R244 IonicContact OE1-NH1 3.48Å; E105-R244 PolarHBondContact OE1-NH1 2.98Å; E105-R244 IonicContact OE2-NH1 3.07Å; L242-R244 WeakPolarHBondContact CD1-O 3.21Å; R244-F262 CarbonylContact O-C 3.56Å; R244-F262 VanDerWaalsContact O-CA 3.24Å; R244-F262 WeakPolarHBondContact O-CA 3.19Å; R244-E263 HydrophobicContact CB-CB 3.96Å; R244-E263 HydrophobicContact CB-CG 4.18Å; R244-E263 WeakPolarHBondContact CD-OE2 3.31Å; R244-E263 HydrophobicContact CG-CB 4.37Å; R244-E263 PolarHBondContact N-O 3.34Å; R244-E263 VanDerWaalsContact N-O 3.13Å; R244-E263 IonicContact NE-OE2 3.19Å; R244-E263 PolarHBondContact O-N 3.01Å |
| 245 | P | 81.8 | Confident | 90.3 | Very high | 24 Ų | 24 | 51.3 Ų | 51.3 | 16% | 0.156 | 28% | 0.282 | C | S | . | . | S | Bend | cis | -66 | 163.2 | -11.9 | 28.2 | -33.7 | 0 | 0 | 0 | 112.1 | I247 F262 | P245-I247 HydrophobicContact CB-CG2 4.36Å; P245-I247 HydrophobicContact CG-CD1 3.76Å; P245-I247 HydrophobicContact CG-CG1 4Å; P245-I247 HydrophobicContact CG-CG2 4.41Å; P245-I247 PolarHBondContact O-N 2.88Å; P245-F262 HydrophobicContact CG-CD1 4.48Å; P245-F262 HydrophobicContact CG-CE1 4.15Å; P245-F262 HydrophobicContact CG-CZ 4.45Å |
| 246 | V | 80.8 | Confident | 89.5 | Confident | 139 Ų | 139 | 51.2 Ų | 51.2 | 84% | 0.842 | 28% | 0.281 | S | S | * | . | trans | -81.1 | 71.7 | -179.4 | -170.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 247 | I | 84.6 | Confident | 88.9 | Confident | 35 Ų | 35 | 52.1 Ų | 52.1 | 18% | 0.179 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -124.8 | 160.5 | 178.3 | 62.7 | 178.6 | 0 | 0 | 0 | 109.4 | L242 P245 F249 D253 H257 F262 | L242-I247 HydrophobicContact CD2-CD1 4.32Å; L242-I247 HydrophobicContact CD2-CG1 3.59Å; P245-I247 HydrophobicContact CB-CG2 4.36Å; P245-I247 HydrophobicContact CG-CD1 3.76Å; P245-I247 HydrophobicContact CG-CG1 4Å; P245-I247 HydrophobicContact CG-CG2 4.41Å; P245-I247 PolarHBondContact O-N 2.88Å; I247-F249 PolarHBondContact O-N 3.16Å; I247-D253 HydrophobicContact CD1-CB 4.13Å; I247-H257 HydrophobicContact CD1-CB 4.28Å; I247-F262 HydrophobicContact CD1-CE1 4.15Å |
| 248 | P | 88.8 | Confident | 88.2 | Confident | 78 Ų | 78 | 50.4 Ų | 50.4 | 51% | 0.506 | 27% | 0.274 | S | S | . | . | trans | -59.1 | 137.6 | 168.6 | -16.5 | 29.9 | 0 | 0 | 0 | 110 | T250 D253 | P248-T250 HydrophobicContact CB-CG2 4.03Å; P248-T250 PolarHBondContact O-N 3.15Å; P248-D253 WeakPolarHBondContact CB-OD2 3.3Å; P248-D253 VanDerWaalsContact O-CB 3.3Å; P248-D253 WeakPolarHBondContact O-CB 3.38Å | ||
| 249 | F | 93.1 | Very high | 87.3 | Confident | 24 Ų | 24 | 48 Ų | 48 | 11% | 0.105 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -83.3 | 68.9 | -177.6 | -163.1 | -165.3 | 0 | 0 | 0 | 110.6 | M215 V236 V237 F240 L242 I247 I254 L264 M299 | M215-F249 HydrophobicContact CE-CD2 4.22Å; M215-F249 HydrophobicContact CE-CE2 4.3Å; V236-F249 HydrophobicContact CG1-CE1 3.79Å; V236-F249 HydrophobicContact CG1-CZ 3.54Å; V237-F249 HydrophobicContact CB-CD1 4.42Å; V237-F249 HydrophobicContact CG1-CD1 4.46Å; V237-F249 HydrophobicContact CG2-CB 4.46Å; V237-F249 HydrophobicContact CG2-CD1 3.98Å; V237-F249 HydrophobicContact CG2-CG 4.26Å; V237-F249 WeakPolarHBondContact CG2-O 3.38Å; F240-F249 HydrophobicContact CB-CE1 4.18Å; F240-F249 WeakPolarHBondContact O-CE1 3.46Å; L242-F249 HydrophobicContact CB-CB 3.96Å; L242-F249 HydrophobicContact CB-CD1 3.93Å; L242-F249 HydrophobicContact CB-CD2 4.14Å; L242-F249 HydrophobicContact CB-CE1 4.43Å; L242-F249 HydrophobicContact CB-CG 3.77Å; L242-F249 HydrophobicContact CD2-CB 4.06Å; L242-F249 HydrophobicContact CD2-CD2 3.91Å; L242-F249 HydrophobicContact CD2-CG 4.13Å; I247-F249 PolarHBondContact O-N 3.16Å; F249-I254 HydrophobicContact CD2-CD1 3.64Å; F249-I254 HydrophobicContact CD2-CG1 4.17Å; F249-I254 HydrophobicContact CE2-CD1 3.57Å; F249-I254 HydrophobicContact CE2-CG1 4.33Å; F249-L264 HydrophobicContact CE1-CD2 4.16Å; F249-L264 HydrophobicContact CE2-CD2 4.3Å; F249-L264 HydrophobicContact CZ-CD1 4.48Å; F249-L264 HydrophobicContact CZ-CD2 3.76Å; F249-M299 HydrophobicContact CE2-CE 4.12Å; F249-M299 HydrophobicContact CZ-CE 4.42Å |
| 250 | T | 92.8 | Very high | 86.8 | Confident | 53 Ų | 53 | 48.6 Ų | 48.6 | 33% | 0.325 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -123.3 | 159.7 | -177 | 78.8 | 0 | 0 | 0 | 0 | 111.1 | P248 D252 D253 I254 | P248-T250 HydrophobicContact CB-CG2 4.03Å; P248-T250 PolarHBondContact O-N 3.15Å; T250-D252 VanDerWaalsContact C-N 3.34Å; T250-D252 PolarHBondContact O-N 2.97Å; T250-D253 PolarHBondContact O-N 3.26Å; T250-D253 PolarHBondContact OG1-N 3.41Å; T250-D253 PolarHBondContact OG1-OD2 3.31Å; T250-I254 WeakPolarHBondContact O-CD1 3.25Å; T250-I254 WeakPolarHBondContact O-CG1 3.33Å; T250-I254 PolarHBondContact O-N 3.45Å |
| 251 | W | 93.2 | Very high | 86.5 | Confident | 20 Ų | 20 | 50.9 Ų | 50.9 | 8% | 0.076 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -54.4 | -48.9 | 178 | 177.5 | -86.7 | 0 | 0 | 0 | 112.6 | F211 N212 R213 M215 I254 M255 Y301 I308 | F211-W251 HydrophobicContact CE2-CE3 4.28Å; N212-W251 VanDerWaalsContact C-CZ3 3.44Å; R213-W251 VanDerWaalsContact CA-CE3 3.47Å; R213-W251 HydrophobicContact CB-CD2 4.4Å; R213-W251 HydrophobicContact CB-CE3 4.42Å; R213-W251 HydrophobicContact CG-CD2 4.08Å; R213-W251 HydrophobicContact CG-CE3 4.26Å; R213-W251 HydrophobicContact CG-CH2 3.85Å; R213-W251 HydrophobicContact CG-CZ2 3.7Å; R213-W251 HydrophobicContact CG-CZ3 4.14Å; M215-W251 HydrophobicContact SD-CB 4.24Å; W251-I254 PolarHBondContact O-N 2.74Å; W251-M255 WeakPolarHBondContact O-CB 3.48Å; W251-M255 WeakPolarHBondContact O-CG 3.3Å; W251-M255 PolarHBondContact O-N 3.47Å; W251-Y301 AromaticContact CH2-CD2 3.94Å; W251-Y301 HydrophobicContact CH2-CD2 3.94Å; W251-Y301 AromaticContact CH2-CE2 3.9Å; W251-Y301 HydrophobicContact CH2-CE2 3.9Å; W251-Y301 AromaticContact CZ2-CD2 3.86Å; W251-Y301 HydrophobicContact CZ2-CD2 3.86Å; W251-Y301 AromaticContact CZ2-CE2 3.71Å; W251-Y301 HydrophobicContact CZ2-CE2 3.71Å; W251-I308 HydrophobicContact CD2-CD1 3.86Å; W251-I308 HydrophobicContact CE3-CD1 3.38Å; W251-I308 HydrophobicContact CE3-CG1 3.96Å; W251-I308 HydrophobicContact CH2-CD1 4.01Å; W251-I308 HydrophobicContact CH2-CG1 3.7Å; W251-I308 HydrophobicContact CZ2-CD1 4.38Å; W251-I308 HydrophobicContact CZ2-CG1 4.33Å; W251-I308 HydrophobicContact CZ3-CB 4.17Å; W251-I308 HydrophobicContact CZ3-CD1 3.48Å; W251-I308 VanDerWaalsContact CZ3-CD1 3.48Å; W251-I308 HydrophobicContact CZ3-CG1 3.47Å; W251-I308 VanDerWaalsContact CZ3-CG1 3.47Å |
| 252 | D | 89.6 | Confident | 86.4 | Confident | 117 Ų | 117 | 45.9 Ų | 45.9 | 63% | 0.626 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -67 | -41.4 | -175.2 | -63.9 | -36.8 | 0 | 0 | 0 | 111.7 | T250 M255 L256 | T250-D252 VanDerWaalsContact C-N 3.34Å; T250-D252 PolarHBondContact O-N 2.97Å; D252-M255 PolarHBondContact O-N 2.62Å; D252-L256 VanDerWaalsContact O-CG 3.31Å; D252-L256 WeakPolarHBondContact O-CG 3.42Å; D252-L256 PolarHBondContact O-N 3.49Å |
| 253 | D | 87.9 | Confident | 86.3 | Confident | 47 Ų | 47 | 46.5 Ų | 46.5 | 25% | 0.251 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -66.8 | -40.2 | 177.3 | -69.8 | -64 | 0 | 0 | 0 | 111.5 | I247 P248 T250 L256 H257 | I247-D253 HydrophobicContact CD1-CB 4.13Å; P248-D253 WeakPolarHBondContact CB-OD2 3.3Å; P248-D253 VanDerWaalsContact O-CB 3.3Å; P248-D253 WeakPolarHBondContact O-CB 3.38Å; T250-D253 PolarHBondContact O-N 3.26Å; T250-D253 PolarHBondContact OG1-N 3.41Å; T250-D253 PolarHBondContact OG1-OD2 3.31Å; D253-L256 PolarHBondContact O-N 3.33Å; D253-H257 PolarHBondContact O-CD2 2.88Å |
| 254 | I | 90.2 | Very high | 86.6 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.3 | -44.4 | 176.4 | -64.8 | 162.9 | 0 | 0 | 0 | 111.1 | F211 M215 F249 T250 W251 L256 H257 T258 F262 M299 I308 | F211-I254 HydrophobicContact CE2-CD1 4.13Å; F211-I254 HydrophobicContact CZ-CD1 3.85Å; M215-I254 HydrophobicContact CE-CD1 4Å; F249-I254 HydrophobicContact CD2-CD1 3.64Å; F249-I254 HydrophobicContact CD2-CG1 4.17Å; F249-I254 HydrophobicContact CE2-CD1 3.57Å; F249-I254 HydrophobicContact CE2-CG1 4.33Å; T250-I254 WeakPolarHBondContact O-CD1 3.25Å; T250-I254 WeakPolarHBondContact O-CG1 3.33Å; T250-I254 PolarHBondContact O-N 3.45Å; W251-I254 PolarHBondContact O-N 2.74Å; I254-L256 PolarHBondContact O-N 3.4Å; I254-H257 CarbonylContact O-C 3.5Å; I254-H257 PolarHBondContact O-N 3.39Å; I254-T258 PolarHBondContact O-N 3.48Å; I254-F262 HydrophobicContact CG1-CE1 4.19Å; I254-F262 HydrophobicContact CG2-CE1 4.3Å; I254-F262 HydrophobicContact CG2-CZ 4.08Å; I254-M299 HydrophobicContact CG2-CB 3.56Å; I254-M299 HydrophobicContact CG2-CG 3.64Å; I254-M299 HydrophobicContact CG2-SD 4.29Å; I254-I308 HydrophobicContact CB-CD1 4.32Å; I254-I308 HydrophobicContact CG2-CD1 3.89Å |
| 255 | M | 87 | Confident | 87 | Confident | 44 Ų | 44 | 41.2 Ų | 41.2 | 22% | 0.217 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -56.9 | -31.8 | 178.1 | -83 | -60.5 | 103.4 | 0 | 0 | 113.2 | W251 D252 H257 T258 Y301 I308 | W251-M255 WeakPolarHBondContact O-CB 3.48Å; W251-M255 WeakPolarHBondContact O-CG 3.3Å; W251-M255 PolarHBondContact O-N 3.47Å; D252-M255 PolarHBondContact O-N 2.62Å; M255-H257 VanDerWaalsContact C-N 3.27Å; M255-H257 PolarHBondContact O-N 3.08Å; M255-T258 HydrophobicContact CE-CG2 4.15Å; M255-Y301 HydrophobicContact CE-CD2 4.21Å; M255-Y301 HydrophobicContact CE-CG 4.27Å; M255-Y301 HydrophobicContact SD-CD2 4.21Å; M255-Y301 HydrophobicContact SD-CG 4.11Å; M255-I308 HydrophobicContact CE-CD1 3.19Å; M255-I308 HydrophobicContact CE-CG1 3.23Å |
| 256 | L | 80.1 | Confident | 87.4 | Confident | 52 Ų | 52 | 40.1 Ų | 40.1 | 27% | 0.272 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -7.7 | 178.5 | -66.8 | 173.2 | 0 | 0 | 0 | 113.9 | F120 D252 D253 I254 | F120-L256 VanDerWaalsContact CD2-O 3.29Å; F120-L256 WeakPolarHBondContact CD2-O 3.27Å; D252-L256 VanDerWaalsContact O-CG 3.31Å; D252-L256 WeakPolarHBondContact O-CG 3.42Å; D252-L256 PolarHBondContact O-N 3.49Å; D253-L256 PolarHBondContact O-N 3.33Å; I254-L256 PolarHBondContact O-N 3.4Å |
| 257 | H | 80.1 | Confident | 87.7 | Confident | 18 Ų | 18 | 37.2 Ų | 37.2 | 8% | 0.083 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -131 | 21.3 | -171.4 | -69.7 | -61.3 | 0 | 0 | 0 | 113.1 | R134 I247 D253 I254 M255 N259 I260 F262 | R134-H257 PolarHBondContact NH1-CE1 3.04Å; R134-H257 PolarHBondContact NH1-NE2 3.41Å; I247-H257 HydrophobicContact CD1-CB 4.28Å; D253-H257 PolarHBondContact O-CD2 2.88Å; I254-H257 CarbonylContact O-C 3.5Å; I254-H257 PolarHBondContact O-N 3.39Å; M255-H257 VanDerWaalsContact C-N 3.27Å; M255-H257 PolarHBondContact O-N 3.08Å; H257-N259 PolarHBondContact O-N 3.01Å; H257-I260 HydrophobicContact CB-CD1 4.05Å; H257-I260 HydrophobicContact CB-CG1 4.46Å; H257-I260 WeakPolarHBondContact ND1-CD1 3.39Å; H257-I260 WeakPolarHBondContact O-CB 3.22Å; H257-I260 PolarHBondContact O-N 2.76Å; H257-F262 HydrophobicContact CB-CZ 3.94Å; H257-F262 VanDerWaalsContact O-CE2 3.24Å; H257-F262 WeakPolarHBondContact O-CE2 3.24Å |
| 258 | T | 78.8 | Confident | 87.4 | Confident | 30 Ų | 30 | 42.4 Ų | 42.4 | 18% | 0.184 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -24.4 | -177.2 | 54.5 | 0 | 0 | 0 | 0 | 114.6 | I254 M255 I260 M299 | I254-T258 PolarHBondContact O-N 3.48Å; M255-T258 HydrophobicContact CE-CG2 4.15Å; T258-I260 VanDerWaalsContact C-N 3.3Å; T258-M299 WeakPolarHBondContact CB-O 3.5Å |
| 259 | N | 75.7 | Confident | 86.5 | Confident | 58 Ų | 58 | 40.7 Ų | 40.7 | 31% | 0.31 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 0.9 | -179.7 | -64.9 | -4.8 | 0 | 0 | 0 | 113.8 | N98 N102 H257 | N98-N259 PolarHBondContact OD1-ND2 2.9Å; N102-N259 PolarHBondContact ND2-O 3.25Å; H257-N259 PolarHBondContact O-N 3.01Å |
| 260 | I | 81.5 | Confident | 84.8 | Confident | 25 Ų | 25 | 44.7 Ų | 44.7 | 13% | 0.128 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -104.5 | 149.5 | -178.7 | -51.7 | -179.2 | 0 | 0 | 0 | 109.3 | D101 H257 T258 F262 | D101-I260 HydrophobicContact CB-CD1 4.21Å; D101-I260 HydrophobicContact CB-CG1 3.88Å; D101-I260 WeakPolarHBondContact OD2-CD1 3.24Å; H257-I260 HydrophobicContact CB-CD1 4.05Å; H257-I260 HydrophobicContact CB-CG1 4.46Å; H257-I260 WeakPolarHBondContact ND1-CD1 3.39Å; H257-I260 WeakPolarHBondContact O-CB 3.22Å; H257-I260 PolarHBondContact O-N 2.76Å; T258-I260 VanDerWaalsContact C-N 3.3Å; I260-F262 WeakPolarHBondContact O-CD2 3.48Å; I260-F262 WeakPolarHBondContact O-CE2 3.05Å |
| 261 | I | 87.3 | Confident | 82.9 | Confident | 50 Ų | 50 | 51.9 Ų | 51.9 | 26% | 0.256 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 126.2 | 170.7 | -60.4 | 165.7 | 0 | 0 | 0 | 110.3 | R296 G297 | I261-R296 HydrophobicContact CG2-CG 3.26Å; I261-R296 VanDerWaalsContact CG2-NE 3.31Å; I261-G297 CarbonylContact C-O 3.48Å; I261-G297 WeakPolarHBondContact CA-O 3.44Å |
| 262 | F | 91.9 | Very high | 80.6 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 133.9 | 174.5 | -69.7 | -106 | 0 | 0 | 0 | 110.3 | L242 R244 P245 I247 I254 H257 I260 R296 G297 M299 F310 | L242-F262 HydrophobicContact CD1-CD1 3.69Å; L242-F262 HydrophobicContact CD1-CE1 4.46Å; R244-F262 CarbonylContact O-C 3.56Å; R244-F262 VanDerWaalsContact O-CA 3.24Å; R244-F262 WeakPolarHBondContact O-CA 3.19Å; P245-F262 HydrophobicContact CG-CD1 4.48Å; P245-F262 HydrophobicContact CG-CE1 4.15Å; P245-F262 HydrophobicContact CG-CZ 4.45Å; I247-F262 HydrophobicContact CD1-CE1 4.15Å; I254-F262 HydrophobicContact CG1-CE1 4.19Å; I254-F262 HydrophobicContact CG2-CE1 4.3Å; I254-F262 HydrophobicContact CG2-CZ 4.08Å; H257-F262 HydrophobicContact CB-CZ 3.94Å; H257-F262 VanDerWaalsContact O-CE2 3.24Å; H257-F262 WeakPolarHBondContact O-CE2 3.24Å; I260-F262 WeakPolarHBondContact O-CD2 3.48Å; I260-F262 WeakPolarHBondContact O-CE2 3.05Å; F262-R296 CarbonylContact O-C 3.6Å; F262-R296 WeakPolarHBondContact O-CA 3.43Å; F262-G297 PolarHBondContact N-O 3.27Å; F262-G297 PolarHBondContact O-N 3.48Å; F262-M299 HydrophobicContact CB-CE 4.49Å; F262-M299 HydrophobicContact CB-CG 4.42Å; F262-M299 HydrophobicContact CD1-CE 4.27Å; F262-M299 HydrophobicContact CD1-CG 3.94Å; F262-M299 HydrophobicContact CD2-CB 4.05Å; F262-M299 HydrophobicContact CD2-CG 3.51Å; F262-M299 HydrophobicContact CE1-CG 4.07Å; F262-M299 HydrophobicContact CE2-CB 3.81Å; F262-M299 HydrophobicContact CE2-CG 3.64Å; F262-M299 HydrophobicContact CG-CE 4.38Å; F262-M299 HydrophobicContact CG-CG 3.69Å; F262-M299 HydrophobicContact CZ-CB 4.26Å; F262-M299 HydrophobicContact CZ-CG 3.93Å; F262-F310 HydrophobicContact CB-CE2 4.13Å |
| 263 | E | 92.5 | Very high | 78.4 | Confident | 39 Ų | 39 | 60 Ų | 60 | 18% | 0.182 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 119.9 | 169 | -64.5 | -176.6 | 172 | 0 | 0 | 109.1 | S243 R244 L295 R296 | S243-E263 WeakPolarHBondContact CA-O 3.35Å; S243-E263 WeakPolarHBondContact CB-O 3.24Å; S243-E263 PolarHBondContact N-O 3.31Å; R244-E263 HydrophobicContact CB-CB 3.96Å; R244-E263 HydrophobicContact CB-CG 4.18Å; R244-E263 WeakPolarHBondContact CD-OE2 3.31Å; R244-E263 HydrophobicContact CG-CB 4.37Å; R244-E263 PolarHBondContact N-O 3.34Å; R244-E263 VanDerWaalsContact N-O 3.13Å; R244-E263 IonicContact NE-OE2 3.19Å; R244-E263 PolarHBondContact O-N 3.01Å; E263-L295 CarbonylContact C-O 3.54Å; E263-L295 VanDerWaalsContact CA-O 3.31Å; E263-L295 WeakPolarHBondContact CA-O 3.41Å; E263-R296 HydrophobicContact CG-CB 4.46Å; E263-R296 HydrophobicContact CG-CG 4.08Å; E263-R296 IonicContact OE1-NE 2.63Å |
| 264 | L | 95.1 | Very high | 76.1 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 142.1 | 179.9 | -58 | 177.9 | 0 | 0 | 0 | 109.1 | F209 F240 L241 L242 F249 K294 L295 M299 F310 | F209-L264 HydrophobicContact CE1-CD1 3.82Å; F209-L264 HydrophobicContact CZ-CD1 3.5Å; F209-L264 VanDerWaalsContact CZ-CD1 3.5Å; F240-L264 HydrophobicContact CB-CB 4.32Å; F240-L264 HydrophobicContact CD1-CB 4.28Å; L241-L264 WeakPolarHBondContact O-CA 3.43Å; L242-L264 HydrophobicContact CB-CD2 4.18Å; L242-L264 HydrophobicContact CD1-CD2 3.58Å; F249-L264 HydrophobicContact CE1-CD2 4.16Å; F249-L264 HydrophobicContact CE2-CD2 4.3Å; F249-L264 HydrophobicContact CZ-CD1 4.48Å; F249-L264 HydrophobicContact CZ-CD2 3.76Å; L264-K294 CarbonylContact O-C 3.5Å; L264-K294 WeakPolarHBondContact O-CA 3.32Å; L264-L295 HydrophobicContact CB-CB 4.42Å; L264-L295 PolarHBondContact N-O 3.28Å; L264-L295 PolarHBondContact O-N 3.3Å; L264-M299 HydrophobicContact CD1-CE 3.96Å; L264-F310 HydrophobicContact CD1-CD1 4.47Å; L264-F310 HydrophobicContact CD1-CD2 4.08Å; L264-F310 HydrophobicContact CD1-CE1 4.32Å; L264-F310 HydrophobicContact CD1-CE2 3.92Å; L264-F310 HydrophobicContact CD1-CG 4.32Å; L264-F310 HydrophobicContact CD1-CZ 4.03Å; L264-F310 HydrophobicContact CG-CE2 4.36Å; L264-F310 HydrophobicContact CG-CZ 4.45Å |
| 265 | T | 93.5 | Very high | 73.5 | Confident | 13 Ų | 13 | 72.5 Ų | 72.5 | 8% | 0.08 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 126.4 | 171.8 | -57.8 | 0 | 0 | 0 | 0 | 108.4 | F240 L241 S243 R292 L293 K294 | F240-T265 WeakPolarHBondContact CA-O 3.38Å; L241-T265 PolarHBondContact N-O 3.49Å; L241-T265 PolarHBondContact O-N 3.38Å; S243-T265 PolarHBondContact OG-OG1 2.99Å; T265-R292 HydrophobicContact CG2-CB 4.18Å; T265-L293 CarbonylContact C-O 3.53Å; T265-L293 WeakPolarHBondContact CA-O 3.46Å; T265-K294 HydrophobicContact CG2-CG 4.02Å |
| 266 | S | 91.8 | Very high | 71.2 | Confident | 0 Ų | 0 | 76.6 Ų | 76.6 | 0% | 0 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 165.1 | 176 | 76.4 | 0 | 0 | 0 | 0 | 111.7 | I239 R292 L293 | I239-S266 CarbonylContact O-C 2.96Å; I239-S266 WeakPolarHBondContact O-CA 3.37Å; S266-R292 PolarHBondContact O-NE 3.15Å; S266-R292 PolarHBondContact O-NH2 2.88Å; S266-L293 PolarHBondContact N-O 2.94Å; S266-L293 PolarHBondContact OG-N 2.98Å |
| 267 | N | 86.4 | Confident | 69.3 | Low | 79 Ų | 79 | 80.7 Ų | 80.7 | 42% | 0.422 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 166.3 | 159.3 | -64.2 | -16 | 0 | 0 | 0 | 111 | D238 I239 I269 | D238-N267 PolarHBondContact O-ND2 3.32Å; I239-N267 PolarHBondContact O-N 3.41Å; N267-I269 PolarHBondContact O-N 2.67Å |
| 268 | E | 78.4 | Confident | 67.1 | Low | 144 Ų | 144 | 89.4 Ų | 89.4 | 67% | 0.673 | 46% | 0.461 | S | S | * | . | P | Polyproline II helix | trans | -58.7 | 131.8 | 174.3 | -72.6 | 179.7 | -177 | 0 | 0 | 110.7 | S270 R292 | E268-S270 PolarHBondContact O-N 2.97Å; E268-R292 HydrophobicContact CG-CG 3.9Å |
| 269 | I | 69.2 | Low | 65.2 | Low | 41 Ų | 41 | 96.5 Ų | 96.5 | 21% | 0.21 | 49% | 0.492 | C | S | . | . | trans | -81 | 114 | 178 | -57.6 | 169 | 0 | 0 | 0 | 107.1 | L228 N267 K271 G291 L293 I325 | L228-I269 HydrophobicContact CD2-CD1 4.15Å; L228-I269 HydrophobicContact CD2-CG1 3.73Å; N267-I269 PolarHBondContact O-N 2.67Å; I269-K271 PolarHBondContact O-N 3.04Å; I269-K271 VanDerWaalsContact O-N 3.17Å; I269-G291 WeakPolarHBondContact CG1-O 3.42Å; I269-G291 PolarHBondContact N-O 2.81Å; I269-L293 HydrophobicContact CD1-CB 4.48Å; I269-I325 HydrophobicContact CD1-CB 4.4Å; I269-I325 HydrophobicContact CD1-CG1 4.37Å; I269-I325 HydrophobicContact CD1-CG2 3.78Å | ||
| 270 | S | 57.2 | Low | 63.4 | Low | 109 Ų | 109 | 100.6 Ų | 100.6 | 76% | 0.762 | 51% | 0.514 | S | S | * | . | trans | -56.8 | 120.2 | 178.5 | -59.3 | 0 | 0 | 0 | 0 | 110.7 | E268 E272 | E268-S270 PolarHBondContact O-N 2.97Å; S270-E272 VanDerWaalsContact C-N 3.33Å; S270-E272 PolarHBondContact O-N 3.45Å | ||
| 271 | K | 53 | Low | 61.2 | Low | 204 Ų | 204 | 107 Ų | 107 | 89% | 0.887 | 55% | 0.548 | S | S | * | . | trans | -69 | 77.9 | 176.6 | -66.3 | -176.9 | 175.8 | -173.1 | 0 | 111.5 | I269 | I269-K271 PolarHBondContact O-N 3.04Å; I269-K271 VanDerWaalsContact O-N 3.17Å | ||
| 272 | E | 45 | Very low | 58.9 | Low | 187 Ų | 187 | 110.6 Ų | 110.6 | 87% | 0.874 | 57% | 0.573 | S | S | * | * | trans | -90.6 | -8.3 | 161.1 | -74.8 | -162.3 | 167.1 | 0 | 0 | 112.6 | S270 | S270-E272 VanDerWaalsContact C-N 3.33Å; S270-E272 PolarHBondContact O-N 3.45Å | ||
| 273 | V | 43 | Very low | 56 | Low | 119 Ų | 119 | 114.1 Ų | 114.1 | 72% | 0.721 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -124.5 | 89.4 | -177.6 | -169.5 | 0 | 0 | 0 | 0 | 109.1 | ||
| 274 | N | 39.8 | Very low | 53.4 | Low | 123 Ų | 123 | 118.5 Ų | 118.5 | 66% | 0.658 | 63% | 0.634 | S | S | * | * | trans | 158.1 | 101.6 | 141.6 | -76.1 | -21.4 | 0 | 0 | 0 | 111 | I276 | N274-I276 PolarHBondContact O-N 3.23Š| ||
| 275 | L | 35.3 | Very low | 50.7 | Low | 188 Ų | 188 | 127.8 Ų | 127.8 | 98% | 0.984 | 68% | 0.677 | S | S | * | * | trans | -81.3 | 38.7 | 172.4 | -79.1 | 162 | 0 | 0 | 0 | 112.4 | ||||
| 276 | I | 39.3 | Very low | 48.4 | Very low | 130 Ų | 130 | 130.9 Ų | 130.9 | 67% | 0.667 | 70% | 0.699 | S | S | * | * | trans | -124.5 | 114.7 | -174.4 | -47.9 | 178.8 | 0 | 0 | 0 | 108.9 | N274 | N274-I276 PolarHBondContact O-N 3.23Š| ||
| 277 | D | 39.9 | Very low | 46.2 | Very low | 138 Ų | 138 | 135.3 Ų | 135.3 | 74% | 0.738 | 72% | 0.723 | S | S | * | * | trans | 82.7 | 74.5 | 163.6 | -57.4 | -19.2 | 0 | 0 | 0 | 119.5 | Q279 | D277-Q279 PolarHBondContact O-N 3.04Š| ||
| 278 | E | 35 | Very low | 44.4 | Very low | 200 Ų | 200 | 136.6 Ų | 136.6 | 94% | 0.935 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | 8.4 | 161.9 | -80.7 | -167.4 | 151.7 | 0 | 0 | 114.9 | ||
| 279 | Q | 38.7 | Very low | 43.2 | Very low | 180 Ų | 180 | 132.3 Ų | 132.3 | 84% | 0.841 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.6 | -0.7 | -168.6 | -68.7 | -163.3 | 5.9 | 0 | 0 | 118.2 | D277 | D277-Q279 PolarHBondContact O-N 3.04Š|
| 280 | N | 38.6 | Very low | 42.8 | Very low | 144 Ų | 144 | 138.5 Ų | 138.5 | 77% | 0.77 | 74% | 0.736 | S | S | * | * | trans | -118 | 63.7 | 178.2 | -79.2 | -19.4 | 0 | 0 | 0 | 112.8 | T282 | N280-T282 VanDerWaalsContact C-N 3.27Å; N280-T282 PolarHBondContact O-N 2.88Å | ||
| 281 | N | 34.6 | Very low | 43.6 | Very low | 159 Ų | 159 | 134.2 Ų | 134.2 | 85% | 0.85 | 71% | 0.709 | S | S | * | * | trans | -89.7 | 62 | 172.5 | -138.9 | 4.5 | 0 | 0 | 0 | 110.2 | G283 | N281-G283 PolarHBondContact O-N 2.87Š| ||
| 282 | T | 38.9 | Very low | 45.1 | Very low | 126 Ų | 126 | 127.6 Ų | 127.6 | 77% | 0.773 | 68% | 0.679 | S | S | * | * | trans | -81.6 | 109.3 | 166.9 | 48.8 | 0 | 0 | 0 | 0 | 108.1 | N280 D284 | N280-T282 VanDerWaalsContact C-N 3.27Å; N280-T282 PolarHBondContact O-N 2.88Å; T282-D284 PolarHBondContact O-N 3.21Å | ||
| 283 | G | 31.5 | Very low | 47.3 | Very low | 74 Ų | 74 | 118.8 Ų | 118.8 | 76% | 0.763 | 64% | 0.637 | S | S | * | * | trans | -58.3 | 115.7 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | N281 | N281-G283 PolarHBondContact O-N 2.87Š| ||
| 284 | D | 37.9 | Very low | 49.6 | Very low | 131 Ų | 131 | 116 Ų | 116 | 70% | 0.701 | 62% | 0.616 | S | S | * | * | trans | -127.5 | 102.6 | 148.2 | -151.7 | 3.1 | 0 | 0 | 0 | 106.9 | T282 S286 | T282-D284 PolarHBondContact O-N 3.21Å; D284-S286 PolarHBondContact O-N 3.15Å; D284-S286 VanDerWaalsContact O-N 3.09Å; D284-S286 PolarHBondContact OD1-OG 2.85Å; D284-S286 PolarHBondContact OD2-OG 3.43Å | ||
| 285 | Q | 38.3 | Very low | 52.1 | Low | 195 Ų | 195 | 110.1 Ų | 110.1 | 91% | 0.911 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | 6 | -177.3 | -72.1 | -171.7 | 1.4 | 0 | 0 | 112.7 | ||
| 286 | S | 44.7 | Very low | 54.8 | Low | 78 Ų | 78 | 105.9 Ų | 105.9 | 55% | 0.545 | 56% | 0.555 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.9 | -11.7 | -172.8 | 53.9 | 0 | 0 | 0 | 0 | 116.1 | D284 T288 | D284-S286 PolarHBondContact O-N 3.15Å; D284-S286 VanDerWaalsContact O-N 3.09Å; D284-S286 PolarHBondContact OD1-OG 2.85Å; D284-S286 PolarHBondContact OD2-OG 3.43Å; S286-T288 PolarHBondContact O-N 3.22Å |
| 287 | D | 46 | Very low | 57.3 | Low | 92 Ų | 92 | 100.1 Ų | 100.1 | 49% | 0.492 | 53% | 0.528 | S | S | . | . | trans | -100.9 | 69.8 | -174.6 | -108.5 | -25 | 0 | 0 | 0 | 113.7 | N289 R290 | D287-N289 PolarHBondContact O-N 3.04Å; D287-R290 PolarHBondContact O-N 3.19Å | ||
| 288 | T | 47.9 | Very low | 59.7 | Low | 107 Ų | 107 | 98.4 Ų | 98.4 | 66% | 0.656 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | 9.3 | 169.5 | 60.2 | 0 | 0 | 0 | 0 | 113.9 | S286 | S286-T288 PolarHBondContact O-N 3.22Š|
| 289 | N | 53.2 | Low | 62.5 | Low | 54 Ų | 54 | 89 Ų | 89 | 29% | 0.289 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105 | -4.3 | -178 | -70.3 | -43.1 | 0 | 0 | 0 | 114.1 | D287 G291 R292 K294 | D287-N289 PolarHBondContact O-N 3.04Å; N289-G291 PolarHBondContact O-N 3.38Å; N289-R292 PolarHBondContact O-N 3.19Å; N289-K294 PolarHBondContact ND2-NZ 3.01Å; N289-K294 VanDerWaalsContact ND2-NZ 3.18Å; N289-K294 VanDerWaalsContact OD1-CE 3.31Å; N289-K294 WeakPolarHBondContact OD1-CE 3.28Å; N289-K294 PolarHBondContact OD1-NZ 3.48Å |
| 290 | R | 62.2 | Low | 65 | Low | 170 Ų | 170 | 86 Ų | 86 | 64% | 0.642 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | 134 | 178.8 | -82 | -175.8 | 163 | 171.7 | -1.7 | 111.3 | D287 R292 E324 | D287-R290 PolarHBondContact O-N 3.19Å; R290-R292 VanDerWaalsContact C-N 3.32Å; R290-R292 PolarHBondContact O-N 2.69Å; R290-E324 IonicContact NE-OE1 3.39Å |
| 291 | G | 72 | Confident | 67.5 | Low | 19 Ų | 19 | 83.3 Ų | 83.3 | 20% | 0.196 | 44% | 0.436 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 67.5 | 21 | 178.4 | 0 | 0 | 0 | 0 | 0 | 116 | I269 N289 | I269-G291 WeakPolarHBondContact CG1-O 3.42Å; I269-G291 PolarHBondContact N-O 2.81Å; N289-G291 PolarHBondContact O-N 3.38Å |
| 292 | R | 86.2 | Confident | 70.1 | Confident | 66 Ų | 66 | 78.4 Ų | 78.4 | 25% | 0.249 | 41% | 0.408 | C | S | . | . | trans | -118.1 | 130.2 | 175.6 | -58.3 | -176.6 | 76.2 | 159.9 | 7 | 110.8 | T265 S266 E268 N289 R290 | T265-R292 HydrophobicContact CG2-CB 4.18Å; S266-R292 PolarHBondContact O-NE 3.15Å; S266-R292 PolarHBondContact O-NH2 2.88Å; E268-R292 HydrophobicContact CG-CG 3.9Å; N289-R292 PolarHBondContact O-N 3.19Å; R290-R292 VanDerWaalsContact C-N 3.32Å; R290-R292 PolarHBondContact O-N 2.69Å | ||
| 293 | L | 89.6 | Confident | 72.4 | Confident | 1 Ų | 1 | 76.3 Ų | 76.3 | 1% | 0.005 | 40% | 0.399 | C | S | . | . | trans | -83.5 | 117.7 | 177.6 | 178.2 | 63.4 | 0 | 0 | 0 | 110.2 | M224 A227 L228 T265 S266 I269 L295 P314 I325 L327 | M224-L293 HydrophobicContact SD-CD2 3.83Å; A227-L293 HydrophobicContact CB-CD2 4Å; L228-L293 HydrophobicContact CD1-CD2 4.05Å; L228-L293 HydrophobicContact CG-CD2 4.39Å; T265-L293 CarbonylContact C-O 3.53Å; T265-L293 WeakPolarHBondContact CA-O 3.46Å; S266-L293 PolarHBondContact N-O 2.94Å; S266-L293 PolarHBondContact OG-N 2.98Å; I269-L293 HydrophobicContact CD1-CB 4.48Å; L293-L295 HydrophobicContact CD1-CD2 4.3Å; L293-L295 HydrophobicContact CD2-CD1 4.18Å; L293-L295 HydrophobicContact CD2-CD2 4.1Å; L293-L295 HydrophobicContact CD2-CG 4.18Å; L293-L295 HydrophobicContact CG-CD1 4.43Å; L293-L295 HydrophobicContact CG-CD2 4.13Å; L293-L295 HydrophobicContact CG-CG 4.01Å; L293-P314 HydrophobicContact CD1-CB 3.93Å; L293-I325 HydrophobicContact CD1-CD1 4.15Å; L293-I325 HydrophobicContact CD1-CG2 4.3Å; L293-L327 HydrophobicContact CD1-CD1 4.36Å | ||
| 294 | K | 91.3 | Very high | 74.9 | Confident | 60 Ų | 60 | 80.2 Ų | 80.2 | 26% | 0.261 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 130 | 170.6 | -67.6 | -172.4 | 179.2 | 175.7 | 0 | 110 | L264 T265 N289 P314 I315 | L264-K294 CarbonylContact O-C 3.5Å; L264-K294 WeakPolarHBondContact O-CA 3.32Å; T265-K294 HydrophobicContact CG2-CG 4.02Å; N289-K294 PolarHBondContact ND2-NZ 3.01Å; N289-K294 VanDerWaalsContact ND2-NZ 3.18Å; N289-K294 VanDerWaalsContact OD1-CE 3.31Å; N289-K294 WeakPolarHBondContact OD1-CE 3.28Å; N289-K294 PolarHBondContact OD1-NZ 3.48Å; K294-P314 CarbonylContact O-C 3.56Å; K294-P314 WeakPolarHBondContact O-CA 3.44Å; K294-I315 HydrophobicContact CB-CB 4.17Å; K294-I315 HydrophobicContact CB-CD1 4.38Å; K294-I315 HydrophobicContact CB-CG1 4.48Å; K294-I315 PolarHBondContact O-N 3.33Å |
| 295 | L | 93.6 | Very high | 77.3 | Confident | 0 Ų | 0 | 78.4 Ų | 78.4 | 0% | 0 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 139.3 | -178.8 | -64.6 | 162.4 | 0 | 0 | 0 | 109.4 | F207 M224 F240 E263 L264 L293 F310 P314 | F207-L295 HydrophobicContact CB-CD2 4.25Å; F207-L295 HydrophobicContact CD1-CD2 4.16Å; F207-L295 HydrophobicContact CG-CD2 4.49Å; M224-L295 HydrophobicContact CE-CD1 3.26Å; M224-L295 HydrophobicContact CE-CD2 3.89Å; M224-L295 HydrophobicContact CE-CG 4.22Å; M224-L295 HydrophobicContact SD-CD1 3.99Å; F240-L295 HydrophobicContact CD1-CD1 4.36Å; F240-L295 HydrophobicContact CE1-CD1 3.61Å; F240-L295 HydrophobicContact CZ-CD1 4.08Å; E263-L295 CarbonylContact C-O 3.54Å; E263-L295 VanDerWaalsContact CA-O 3.31Å; E263-L295 WeakPolarHBondContact CA-O 3.41Å; L264-L295 HydrophobicContact CB-CB 4.42Å; L264-L295 PolarHBondContact N-O 3.28Å; L264-L295 PolarHBondContact O-N 3.3Å; L293-L295 HydrophobicContact CD1-CD2 4.3Å; L293-L295 HydrophobicContact CD2-CD1 4.18Å; L293-L295 HydrophobicContact CD2-CD2 4.1Å; L293-L295 HydrophobicContact CD2-CG 4.18Å; L293-L295 HydrophobicContact CG-CD1 4.43Å; L293-L295 HydrophobicContact CG-CD2 4.13Å; L293-L295 HydrophobicContact CG-CG 4.01Å; L295-F310 HydrophobicContact CB-CE1 3.83Å; L295-F310 HydrophobicContact CB-CZ 3.89Å; L295-F310 HydrophobicContact CD1-CE1 4.21Å; L295-F310 HydrophobicContact CG-CE1 4.5Å; L295-P314 HydrophobicContact CD2-CB 4.26Å |
| 296 | R | 91.7 | Very high | 79.9 | Confident | 99 Ų | 99 | 72.2 Ų | 72.2 | 37% | 0.374 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 128.1 | 172.3 | -172.6 | 170.3 | -179.9 | -159.7 | -3.3 | 109.5 | I261 F262 E263 G312 T313 I315 | I261-R296 HydrophobicContact CG2-CG 3.26Å; I261-R296 VanDerWaalsContact CG2-NE 3.31Å; F262-R296 CarbonylContact O-C 3.6Å; F262-R296 WeakPolarHBondContact O-CA 3.43Å; E263-R296 HydrophobicContact CG-CB 4.46Å; E263-R296 HydrophobicContact CG-CG 4.08Å; E263-R296 IonicContact OE1-NE 2.63Å; R296-G312 CarbonylContact O-C 3.36Å; R296-G312 WeakPolarHBondContact O-CA 3.26Å; R296-T313 PolarHBondContact N-O 3.47Å; R296-T313 PolarHBondContact O-N 3.1Å; R296-I315 HydrophobicContact CB-CD1 3.78Å; R296-I315 HydrophobicContact CB-CG1 3.77Å |
| 297 | G | 91.6 | Very high | 82.3 | Confident | 10 Ų | 10 | 68.5 Ų | 68.5 | 10% | 0.103 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.1 | -176.8 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | I261 F262 L311 | I261-G297 CarbonylContact C-O 3.48Å; I261-G297 WeakPolarHBondContact CA-O 3.44Å; F262-G297 PolarHBondContact N-O 3.27Å; F262-G297 PolarHBondContact O-N 3.48Å; G297-L311 CarbonylContact C-O 3.36Å; G297-L311 WeakPolarHBondContact CA-O 3.39Å |
| 298 | Q | 90.8 | Very high | 84.6 | Confident | 102 Ų | 102 | 64.1 Ų | 64.1 | 48% | 0.477 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 148.7 | 177.1 | 60.6 | -177.3 | -25.9 | 0 | 0 | 110.8 | F310 L311 | Q298-F310 CarbonylContact O-C 3.5Å; Q298-F310 WeakPolarHBondContact O-CA 3.47Å; Q298-L311 HydrophobicContact CG-CB 3.88Å; Q298-L311 HydrophobicContact CG-CD1 4.41Å; Q298-L311 PolarHBondContact N-O 3Å; Q298-L311 PolarHBondContact O-N 3.08Å |
| 299 | M | 93.3 | Very high | 86.9 | Confident | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 118.8 | 172.6 | -66.9 | -73.3 | -173.6 | 0 | 0 | 108.6 | F209 F211 F249 I254 T258 F262 L264 I308 F310 | F209-M299 HydrophobicContact CZ-CE 4.39Å; F211-M299 HydrophobicContact CE1-CE 4.39Å; F211-M299 HydrophobicContact CE1-SD 3.88Å; F211-M299 HydrophobicContact CZ-SD 4.08Å; F249-M299 HydrophobicContact CE2-CE 4.12Å; F249-M299 HydrophobicContact CZ-CE 4.42Å; I254-M299 HydrophobicContact CG2-CB 3.56Å; I254-M299 HydrophobicContact CG2-CG 3.64Å; I254-M299 HydrophobicContact CG2-SD 4.29Å; T258-M299 WeakPolarHBondContact CB-O 3.5Å; F262-M299 HydrophobicContact CB-CE 4.49Å; F262-M299 HydrophobicContact CB-CG 4.42Å; F262-M299 HydrophobicContact CD1-CE 4.27Å; F262-M299 HydrophobicContact CD1-CG 3.94Å; F262-M299 HydrophobicContact CD2-CB 4.05Å; F262-M299 HydrophobicContact CD2-CG 3.51Å; F262-M299 HydrophobicContact CE1-CG 4.07Å; F262-M299 HydrophobicContact CE2-CB 3.81Å; F262-M299 HydrophobicContact CE2-CG 3.64Å; F262-M299 HydrophobicContact CG-CE 4.38Å; F262-M299 HydrophobicContact CG-CG 3.69Å; F262-M299 HydrophobicContact CZ-CB 4.26Å; F262-M299 HydrophobicContact CZ-CG 3.93Å; L264-M299 HydrophobicContact CD1-CE 3.96Å; M299-I308 HydrophobicContact CB-CG2 3.98Å; M299-I308 HydrophobicContact CG-CG2 4.44Å; M299-I308 HydrophobicContact SD-CG2 3.72Å; M299-F310 HydrophobicContact CE-CB 4.16Å; M299-F310 HydrophobicContact CE-CD2 3.58Å; M299-F310 HydrophobicContact CE-CE2 4.35Å; M299-F310 HydrophobicContact CE-CG 4.18Å; M299-F310 HydrophobicContact CG-CD2 4.34Å; M299-F310 HydrophobicContact SD-CB 3.75Å; M299-F310 HydrophobicContact SD-CD2 3.75Å; M299-F310 HydrophobicContact SD-CG 4.22Å |
| 300 | K | 90.9 | Very high | 88.9 | Confident | 119 Ų | 119 | 56.5 Ų | 56.5 | 52% | 0.517 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 123.2 | -179.3 | -172.5 | 168.3 | -177.4 | 176 | 0 | 110.8 | I308 V309 | K300-I308 WeakPolarHBondContact O-CA 3.49Å; K300-V309 PolarHBondContact N-O 3.09Å; K300-V309 PolarHBondContact O-N 3.36Å |
| 301 | Y | 91.8 | Very high | 90.4 | Very high | 87 Ų | 87 | 49.6 Ų | 49.6 | 34% | 0.341 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 135.4 | 170.8 | -179.4 | -113.7 | 0 | 0 | 0 | 110.5 | R213 W251 M255 D306 | R213-Y301 PolarHBondContact NH2-OH 3.27Å; W251-Y301 AromaticContact CH2-CD2 3.94Å; W251-Y301 HydrophobicContact CH2-CD2 3.94Å; W251-Y301 AromaticContact CH2-CE2 3.9Å; W251-Y301 HydrophobicContact CH2-CE2 3.9Å; W251-Y301 AromaticContact CZ2-CD2 3.86Å; W251-Y301 HydrophobicContact CZ2-CD2 3.86Å; W251-Y301 AromaticContact CZ2-CE2 3.71Å; W251-Y301 HydrophobicContact CZ2-CE2 3.71Å; M255-Y301 HydrophobicContact CE-CD2 4.21Å; M255-Y301 HydrophobicContact CE-CG 4.27Å; M255-Y301 HydrophobicContact SD-CD2 4.21Å; M255-Y301 HydrophobicContact SD-CG 4.11Å; Y301-D306 PolarHBondContact OH-OD1 3.48Å |
| 302 | M | 88.9 | Confident | 91.3 | Very high | 56 Ų | 56 | 49.2 Ų | 49.2 | 28% | 0.276 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 110.5 | 172.8 | -61.9 | -171.8 | 86.7 | 0 | 0 | 108.5 | E304 W305 D306 A307 V309 | M302-E304 VanDerWaalsContact C-N 3.3Å; M302-E304 PolarHBondContact O-N 3.18Å; M302-W305 HydrophobicContact CB-CB 4.39Å; M302-W305 HydrophobicContact CB-CD2 4.46Å; M302-W305 HydrophobicContact CB-CE3 4.41Å; M302-W305 HydrophobicContact CB-CG 4.48Å; M302-W305 HydrophobicContact CE-CH2 4.38Å; M302-W305 HydrophobicContact CE-CZ2 4.47Å; M302-W305 HydrophobicContact CE-CZ3 4.5Å; M302-W305 PolarHBondContact O-N 3.26Å; M302-W305 HydrophobicContact SD-CD2 4.16Å; M302-W305 HydrophobicContact SD-CE3 3.62Å; M302-W305 HydrophobicContact SD-CH2 3.97Å; M302-W305 HydrophobicContact SD-CZ2 4.46Å; M302-W305 HydrophobicContact SD-CZ3 3.53Å; M302-W305 VanDerWaalsContact SD-CZ3 3.53Å; M302-D306 PolarHBondContact O-N 3.33Å; M302-D306 VanDerWaalsContact O-N 3.07Å; M302-A307 PolarHBondContact N-O 3.23Å; M302-A307 PolarHBondContact O-N 3.11Å; M302-V309 HydrophobicContact CG-CG2 3.94Å; M302-V309 HydrophobicContact SD-CB 4.43Å; M302-V309 HydrophobicContact SD-CG2 3.41Å; M302-V309 WeakPolarHBondContact SD-CG2 3.45Å |
| 303 | S | 86.3 | Confident | 91.6 | Very high | 81 Ų | 81 | 48.2 Ų | 48.2 | 57% | 0.566 | 23% | 0.232 | S | C | * | . | G | 310 helix | trans | -57.4 | -42.7 | -178.7 | 46.9 | 0 | 0 | 0 | 0 | 112.3 | W305 D306 | S303-W305 PolarHBondContact O-N 3.49Å; S303-D306 PolarHBondContact O-N 3.26Å; S303-D306 VanDerWaalsContact O-N 3.09Å |
| 304 | E | 84.6 | Confident | 91.6 | Very high | 156 Ų | 156 | 48.5 Ų | 48.5 | 73% | 0.729 | 24% | 0.235 | S | C | * | . | G | 310 helix | trans | -60 | -27.4 | -179.8 | -61.4 | -50.7 | 124.4 | 0 | 0 | 113.5 | M302 | M302-E304 VanDerWaalsContact C-N 3.3Å; M302-E304 PolarHBondContact O-N 3.18Å |
| 305 | W | 88.2 | Confident | 91.5 | Very high | 93 Ų | 93 | 49.3 Ų | 49.3 | 35% | 0.352 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -103.3 | -7.9 | -179.7 | -60.7 | -8.4 | 0 | 0 | 0 | 112.7 | A198 F201 F202 V210 M302 S303 A307 V309 | A198-W305 HydrophobicContact CB-CZ2 4.46Å; F201-W305 AromaticContact CD1-CH2 3.94Å; F201-W305 HydrophobicContact CD1-CH2 3.94Å; F201-W305 HydrophobicContact CD1-CZ3 4.48Å; F201-W305 HydrophobicContact CE1-CH2 4.06Å; F201-W305 HydrophobicContact CE1-CZ3 4.18Å; F201-W305 HydrophobicContact CG-CH2 4.41Å; F202-W305 HydrophobicContact CZ-CH2 4.45Å; F202-W305 HydrophobicContact CZ-CZ3 4.49Å; V210-W305 HydrophobicContact CG1-CE3 4.07Å; V210-W305 HydrophobicContact CG1-CZ3 4.48Å; V210-W305 HydrophobicContact CG2-CE3 4.4Å; V210-W305 HydrophobicContact CG2-CZ3 3.99Å; M302-W305 HydrophobicContact CB-CB 4.39Å; M302-W305 HydrophobicContact CB-CD2 4.46Å; M302-W305 HydrophobicContact CB-CE3 4.41Å; M302-W305 HydrophobicContact CB-CG 4.48Å; M302-W305 HydrophobicContact CE-CH2 4.38Å; M302-W305 HydrophobicContact CE-CZ2 4.47Å; M302-W305 HydrophobicContact CE-CZ3 4.5Å; M302-W305 PolarHBondContact O-N 3.26Å; M302-W305 HydrophobicContact SD-CD2 4.16Å; M302-W305 HydrophobicContact SD-CE3 3.62Å; M302-W305 HydrophobicContact SD-CH2 3.97Å; M302-W305 HydrophobicContact SD-CZ2 4.46Å; M302-W305 HydrophobicContact SD-CZ3 3.53Å; M302-W305 VanDerWaalsContact SD-CZ3 3.53Å; S303-W305 PolarHBondContact O-N 3.49Å; W305-A307 HydrophobicContact CB-CB 3.9Å; W305-A307 PolarHBondContact O-N 3.08Å; W305-V309 HydrophobicContact CE3-CG2 3.85Å; W305-V309 HydrophobicContact CZ3-CG2 3.66Å |
| 306 | D | 92.6 | Very high | 90.8 | Very high | 66 Ų | 66 | 50.1 Ų | 50.1 | 35% | 0.353 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 42.5 | 44.7 | -165.3 | -168.6 | 36.5 | 0 | 0 | 0 | 112.2 | R213 Y301 M302 S303 | R213-D306 IonicContact CZ-OD1 3.77Å; R213-D306 IonicContact CZ-OD2 3.7Å; R213-D306 VanDerWaalsContact NE-CG 3.34Å; R213-D306 IonicContact NE-OD1 2.63Å; R213-D306 PolarHBondContact NE-OD1 3.22Å; R213-D306 IonicContact NE-OD2 2.61Å; R213-D306 PolarHBondContact NE-OD2 3.01Å; R213-D306 IonicContact NH2-OD1 3.35Å; R213-D306 PolarHBondContact NH2-OD1 2.79Å; Y301-D306 PolarHBondContact OH-OD1 3.48Å; M302-D306 PolarHBondContact O-N 3.33Å; M302-D306 VanDerWaalsContact O-N 3.07Å; S303-D306 PolarHBondContact O-N 3.26Å; S303-D306 VanDerWaalsContact O-N 3.09Å |
| 307 | A | 95.1 | Very high | 90 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 157.1 | -169.8 | 0 | 0 | 0 | 0 | 0 | 112 | V210 F211 L218 M302 W305 | V210-A307 HydrophobicContact CG1-CB 3.67Å; F211-A307 WeakPolarHBondContact O-CA 3.35Å; F211-A307 WeakPolarHBondContact O-CB 3.46Å; L218-A307 HydrophobicContact CD1-CB 4.2Å; M302-A307 PolarHBondContact N-O 3.23Å; M302-A307 PolarHBondContact O-N 3.11Å; W305-A307 HydrophobicContact CB-CB 3.9Å; W305-A307 PolarHBondContact O-N 3.08Å |
| 308 | I | 95.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 132.3 | 170.1 | -66.8 | 166.1 | 0 | 0 | 0 | 108.5 | V210 F211 W251 I254 M255 M299 K300 | V210-I308 WeakPolarHBondContact CA-O 3.48Å; F211-I308 HydrophobicContact CD1-CB 4.26Å; F211-I308 HydrophobicContact CD1-CG2 4.43Å; F211-I308 HydrophobicContact CD2-CB 4.38Å; F211-I308 HydrophobicContact CE1-CB 3.72Å; F211-I308 HydrophobicContact CE1-CG2 3.52Å; F211-I308 HydrophobicContact CE2-CB 3.87Å; F211-I308 HydrophobicContact CE2-CD1 3.7Å; F211-I308 HydrophobicContact CE2-CG1 4.32Å; F211-I308 HydrophobicContact CE2-CG2 4.31Å; F211-I308 HydrophobicContact CZ-CB 3.5Å; F211-I308 HydrophobicContact CZ-CD1 3.76Å; F211-I308 HydrophobicContact CZ-CG1 4.23Å; F211-I308 HydrophobicContact CZ-CG2 3.45Å; F211-I308 VanDerWaalsContact CZ-CG2 3.45Å; F211-I308 PolarHBondContact N-O 2.7Å; F211-I308 PolarHBondContact O-N 3.22Å; W251-I308 HydrophobicContact CD2-CD1 3.86Å; W251-I308 HydrophobicContact CE3-CD1 3.38Å; W251-I308 HydrophobicContact CE3-CG1 3.96Å; W251-I308 HydrophobicContact CH2-CD1 4.01Å; W251-I308 HydrophobicContact CH2-CG1 3.7Å; W251-I308 HydrophobicContact CZ2-CD1 4.38Å; W251-I308 HydrophobicContact CZ2-CG1 4.33Å; W251-I308 HydrophobicContact CZ3-CB 4.17Å; W251-I308 HydrophobicContact CZ3-CD1 3.48Å; W251-I308 VanDerWaalsContact CZ3-CD1 3.48Å; W251-I308 HydrophobicContact CZ3-CG1 3.47Å; W251-I308 VanDerWaalsContact CZ3-CG1 3.47Å; I254-I308 HydrophobicContact CB-CD1 4.32Å; I254-I308 HydrophobicContact CG2-CD1 3.89Å; M255-I308 HydrophobicContact CE-CD1 3.19Å; M255-I308 HydrophobicContact CE-CG1 3.23Å; M299-I308 HydrophobicContact CB-CG2 3.98Å; M299-I308 HydrophobicContact CG-CG2 4.44Å; M299-I308 HydrophobicContact SD-CG2 3.72Å; K300-I308 WeakPolarHBondContact O-CA 3.49Å |
| 309 | V | 95 | Very high | 88.8 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.006 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 123.5 | 168.1 | -170.1 | 0 | 0 | 0 | 0 | 109.5 | F201 N208 F209 V210 K300 M302 W305 L311 | F201-V309 HydrophobicContact CE1-CG1 3.87Å; F201-V309 HydrophobicContact CZ-CB 4.48Å; F201-V309 HydrophobicContact CZ-CG1 3.73Å; N208-V309 HydrophobicContact CB-CG1 4.34Å; F209-V309 WeakPolarHBondContact O-CA 3.39Å; V210-V309 HydrophobicContact CG1-CG2 4.19Å; V210-V309 HydrophobicContact CG2-CB 4.4Å; V210-V309 HydrophobicContact CG2-CG1 4.04Å; V210-V309 HydrophobicContact CG2-CG2 3.85Å; K300-V309 PolarHBondContact N-O 3.09Å; K300-V309 PolarHBondContact O-N 3.36Å; M302-V309 HydrophobicContact CG-CG2 3.94Å; M302-V309 HydrophobicContact SD-CB 4.43Å; M302-V309 HydrophobicContact SD-CG2 3.41Å; M302-V309 WeakPolarHBondContact SD-CG2 3.45Å; W305-V309 HydrophobicContact CE3-CG2 3.85Å; W305-V309 HydrophobicContact CZ3-CG2 3.66Å; V309-L311 HydrophobicContact CG1-CD2 3.93Å; V309-L311 HydrophobicContact CG1-CG 4.21Å |
| 310 | F | 95.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 119.4 | 163.9 | 177.9 | -104.2 | 0 | 0 | 0 | 108.9 | N208 F209 F262 L264 L295 Q298 M299 | N208-F310 WeakPolarHBondContact CA-O 3.16Å; N208-F310 VanDerWaalsContact CB-O 3.29Å; N208-F310 WeakPolarHBondContact CB-O 3.42Å; F209-F310 HydrophobicContact CD1-CB 3.9Å; F209-F310 AromaticContact CD1-CD1 3.6Å; F209-F310 HydrophobicContact CD1-CD1 3.6Å; F209-F310 HydrophobicContact CD1-CG 4.11Å; F209-F310 HydrophobicContact CD2-CB 3.95Å; F209-F310 HydrophobicContact CE1-CB 3.58Å; F209-F310 AromaticContact CE1-CD1 3.15Å; F209-F310 HydrophobicContact CE1-CD1 3.15Å; F209-F310 AromaticContact CE1-CE1 3.89Å; F209-F310 HydrophobicContact CE1-CE1 3.89Å; F209-F310 AromaticContact CE1-CG 3.5Å; F209-F310 HydrophobicContact CE1-CG 3.5Å; F209-F310 VanDerWaalsContact CE1-CG 3.5Å; F209-F310 HydrophobicContact CE2-CB 3.62Å; F209-F310 HydrophobicContact CE2-CG 4.33Å; F209-F310 HydrophobicContact CG-CB 4.09Å; F209-F310 HydrophobicContact CZ-CB 3.42Å; F209-F310 VanDerWaalsContact CZ-CB 3.42Å; F209-F310 AromaticContact CZ-CD1 3.8Å; F209-F310 HydrophobicContact CZ-CD1 3.8Å; F209-F310 HydrophobicContact CZ-CD2 4.41Å; F209-F310 AromaticContact CZ-CG 3.62Å; F209-F310 HydrophobicContact CZ-CG 3.62Å; F209-F310 PolarHBondContact N-O 3.44Å; F209-F310 VanDerWaalsContact N-O 3.14Å; F209-F310 PolarHBondContact O-N 2.9Å; F262-F310 HydrophobicContact CB-CE2 4.13Å; L264-F310 HydrophobicContact CD1-CD1 4.47Å; L264-F310 HydrophobicContact CD1-CD2 4.08Å; L264-F310 HydrophobicContact CD1-CE1 4.32Å; L264-F310 HydrophobicContact CD1-CE2 3.92Å; L264-F310 HydrophobicContact CD1-CG 4.32Å; L264-F310 HydrophobicContact CD1-CZ 4.03Å; L264-F310 HydrophobicContact CG-CE2 4.36Å; L264-F310 HydrophobicContact CG-CZ 4.45Å; L295-F310 HydrophobicContact CB-CE1 3.83Å; L295-F310 HydrophobicContact CB-CZ 3.89Å; L295-F310 HydrophobicContact CD1-CE1 4.21Å; L295-F310 HydrophobicContact CG-CE1 4.5Å; Q298-F310 CarbonylContact O-C 3.5Å; Q298-F310 WeakPolarHBondContact O-CA 3.47Å; M299-F310 HydrophobicContact CE-CB 4.16Å; M299-F310 HydrophobicContact CE-CD2 3.58Å; M299-F310 HydrophobicContact CE-CE2 4.35Å; M299-F310 HydrophobicContact CE-CG 4.18Å; M299-F310 HydrophobicContact CG-CD2 4.34Å; M299-F310 HydrophobicContact SD-CB 3.75Å; M299-F310 HydrophobicContact SD-CD2 3.75Å; M299-F310 HydrophobicContact SD-CG 4.22Å |
| 311 | L | 92.8 | Very high | 87.8 | Confident | 24 Ų | 24 | 55.1 Ų | 55.1 | 13% | 0.126 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 97.3 | 173.7 | -65.5 | 176 | 0 | 0 | 0 | 108 | F201 F205 N208 G297 Q298 V309 | F201-L311 HydrophobicContact CE1-CD2 4.46Å; F201-L311 HydrophobicContact CE2-CD2 4.23Å; F201-L311 HydrophobicContact CZ-CD2 3.68Å; F205-L311 HydrophobicContact CB-CD2 3.98Å; F205-L311 HydrophobicContact CD1-CD2 3.97Å; F205-L311 HydrophobicContact CD2-CD2 3.9Å; F205-L311 HydrophobicContact CE1-CD2 4.46Å; F205-L311 HydrophobicContact CE2-CD2 4.4Å; F205-L311 HydrophobicContact CG-CD2 3.67Å; N208-L311 HydrophobicContact CB-CD2 4.07Å; G297-L311 CarbonylContact C-O 3.36Å; G297-L311 WeakPolarHBondContact CA-O 3.39Å; Q298-L311 HydrophobicContact CG-CB 3.88Å; Q298-L311 HydrophobicContact CG-CD1 4.41Å; Q298-L311 PolarHBondContact N-O 3Å; Q298-L311 PolarHBondContact O-N 3.08Å; V309-L311 HydrophobicContact CG1-CD2 3.93Å; V309-L311 HydrophobicContact CG1-CG 4.21Å |
| 312 | G | 92.2 | Very high | 87.4 | Confident | 11 Ų | 11 | 51.2 Ų | 51.2 | 11% | 0.113 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 169.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | F207 R296 | F207-G312 WeakPolarHBondContact CB-O 3.06Å; R296-G312 CarbonylContact O-C 3.36Å; R296-G312 WeakPolarHBondContact O-CA 3.26Å |
| 313 | T | 91.2 | Very high | 87.1 | Confident | 45 Ų | 45 | 52.6 Ų | 52.6 | 28% | 0.276 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 138.5 | -179.4 | -60.2 | 0 | 0 | 0 | 0 | 107.8 | R296 D336 S338 | R296-T313 PolarHBondContact N-O 3.47Å; R296-T313 PolarHBondContact O-N 3.1Å; T313-D336 VanDerWaalsContact CG2-OD2 3.25Å; T313-D336 WeakPolarHBondContact CG2-OD2 3.43Å; T313-D336 PolarHBondContact OG1-OD2 2.65Å; T313-S338 VanDerWaalsContact CG2-CB 3.47Å |
| 314 | P | 91.3 | Very high | 86.9 | Confident | 8 Ų | 8 | 53.2 Ų | 53.2 | 5% | 0.052 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 138.2 | 176.8 | 30.4 | -37.3 | 0 | 0 | 0 | 111.2 | F207 L293 K294 L295 M316 L332 | F207-P314 HydrophobicContact CD1-CG 4.35Å; F207-P314 VanDerWaalsContact CD2-CD 3.47Å; F207-P314 HydrophobicContact CD2-CG 4.04Å; F207-P314 HydrophobicContact CE1-CB 4.39Å; F207-P314 HydrophobicContact CE1-CG 4.06Å; F207-P314 HydrophobicContact CE2-CG 3.74Å; F207-P314 HydrophobicContact CG-CG 4.34Å; F207-P314 HydrophobicContact CZ-CG 3.75Å; L293-P314 HydrophobicContact CD1-CB 3.93Å; K294-P314 CarbonylContact O-C 3.56Å; K294-P314 WeakPolarHBondContact O-CA 3.44Å; L295-P314 HydrophobicContact CD2-CB 4.26Å; P314-M316 HydrophobicContact CB-CE 4.46Å; P314-M316 HydrophobicContact CB-CG 4.36Å; P314-M316 HydrophobicContact CB-SD 4.48Å; P314-M316 HydrophobicContact CG-CE 4.11Å; P314-L332 HydrophobicContact CG-CD2 3.39Å |
| 315 | I | 87.7 | Confident | 86.8 | Confident | 77 Ų | 77 | 46.6 Ų | 46.6 | 40% | 0.395 | 23% | 0.232 | S | C | . | . | trans | -92.3 | 104.3 | 173.6 | -47.6 | 176.2 | 0 | 0 | 0 | 107.7 | K294 R296 | K294-I315 HydrophobicContact CB-CB 4.17Å; K294-I315 HydrophobicContact CB-CD1 4.38Å; K294-I315 HydrophobicContact CB-CG1 4.48Å; K294-I315 PolarHBondContact O-N 3.33Å; R296-I315 HydrophobicContact CB-CD1 3.78Å; R296-I315 HydrophobicContact CB-CG1 3.77Å | ||
| 316 | M | 79.4 | Confident | 86.5 | Confident | 17 Ų | 17 | 44.1 Ų | 44.1 | 8% | 0.084 | 24% | 0.235 | C | C | . | . | trans | -122.4 | 139.8 | 177.6 | -61.7 | -176.9 | -59.8 | 0 | 0 | 109.6 | P314 M322 L327 L332 V342 | P314-M316 HydrophobicContact CB-CE 4.46Å; P314-M316 HydrophobicContact CB-CG 4.36Å; P314-M316 HydrophobicContact CB-SD 4.48Å; P314-M316 HydrophobicContact CG-CE 4.11Å; M316-M322 HydrophobicContact CE-CB 4.21Å; M316-M322 HydrophobicContact CE-CE 3.73Å; M316-M322 HydrophobicContact CE-CG 3.77Å; M316-M322 HydrophobicContact CE-SD 3.79Å; M316-M322 HydrophobicContact SD-CB 3.62Å; M316-M322 HydrophobicContact SD-CG 3.55Å; M316-M322 VanDerWaalsContact SD-CG 3.55Å; M316-M322 HydrophobicContact SD-SD 4.37Å; M316-L327 HydrophobicContact SD-CD1 4.4Å; M316-L332 HydrophobicContact CE-CD1 3.87Å; M316-L332 HydrophobicContact CE-CD2 3.65Å; M316-L332 HydrophobicContact CE-CG 4.18Å; M316-V342 HydrophobicContact CB-CG2 4.35Å; M316-V342 HydrophobicContact CE-CG2 4.18Å | ||
| 317 | R | 74.4 | Confident | 86.3 | Confident | 197 Ų | 197 | 41 Ų | 41 | 74% | 0.743 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -96.6 | -25.5 | -178.5 | -66.6 | 179.6 | -179.8 | 166.2 | -0.2 | 112.5 | ||
| 318 | D | 76.8 | Confident | 85.9 | Confident | 46 Ų | 46 | 48.2 Ų | 48.2 | 25% | 0.246 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -154.7 | 155.3 | -163.5 | 54.7 | -49.6 | 0 | 0 | 0 | 109.5 | D320 S321 | D318-D320 VanDerWaalsContact C-N 3.26Å; D318-D320 PolarHBondContact O-N 2.53Å; D318-S321 VanDerWaalsContact CG-OG 3.23Å; D318-S321 WeakPolarHBondContact OD1-CB 3.32Å; D318-S321 PolarHBondContact OD1-OG 2.91Å; D318-S321 PolarHBondContact OD2-N 3.12Å; D318-S321 PolarHBondContact OD2-OG 3.07Å; D318-S321 VanDerWaalsContact OD2-OG 3.08Å |
| 319 | V | 80.2 | Confident | 85.5 | Confident | 50 Ų | 50 | 51.1 Ų | 51.1 | 30% | 0.303 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -68.3 | -29.2 | 178 | 174.2 | 0 | 0 | 0 | 0 | 111.3 | M322 L323 V342 E346 | V319-M322 VanDerWaalsContact O-CB 3.23Å; V319-M322 WeakPolarHBondContact O-CB 3.48Å; V319-M322 PolarHBondContact O-N 3.14Å; V319-M322 VanDerWaalsContact O-N 3.11Å; V319-L323 HydrophobicContact CG1-CD1 4.43Å; V319-L323 PolarHBondContact O-N 3.25Å; V319-L323 VanDerWaalsContact O-N 3.1Å; V319-V342 HydrophobicContact CG2-CG1 3.44Å; V319-V342 VanDerWaalsContact CG2-CG1 3.44Å; V319-E346 HydrophobicContact CB-CG 4.28Å; V319-E346 HydrophobicContact CG2-CG 3.41Å; V319-E346 VanDerWaalsContact CG2-CG 3.41Å; V319-E346 PolarHBondContact N-OE1 3.37Å |
| 320 | D | 83.2 | Confident | 85.1 | Confident | 104 Ų | 104 | 57.4 Ų | 57.4 | 56% | 0.556 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -65.2 | -47.7 | -180 | -65.4 | -32.5 | 0 | 0 | 0 | 111.4 | D318 M322 L323 E324 | D318-D320 VanDerWaalsContact C-N 3.26Å; D318-D320 PolarHBondContact O-N 2.53Å; D320-M322 PolarHBondContact O-N 2.97Å; D320-M322 VanDerWaalsContact O-N 3.14Å; D320-L323 PolarHBondContact O-N 3.35Å; D320-E324 WeakPolarHBondContact O-CG 3.24Å; D320-E324 PolarHBondContact O-N 3.26Å |
| 321 | S | 81 | Confident | 84.8 | Confident | 39 Ų | 39 | 58.5 Ų | 58.5 | 27% | 0.273 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -54.6 | -32.2 | 171.6 | -69.7 | 0 | 0 | 0 | 0 | 113.3 | D318 I325 | D318-S321 VanDerWaalsContact CG-OG 3.23Å; D318-S321 WeakPolarHBondContact OD1-CB 3.32Å; D318-S321 PolarHBondContact OD1-OG 2.91Å; D318-S321 PolarHBondContact OD2-N 3.12Å; D318-S321 PolarHBondContact OD2-OG 3.07Å; D318-S321 VanDerWaalsContact OD2-OG 3.08Å; S321-I325 WeakPolarHBondContact O-CD1 3.41Å; S321-I325 VanDerWaalsContact O-CG1 3.3Å; S321-I325 WeakPolarHBondContact O-CG1 3.45Å; S321-I325 PolarHBondContact O-N 3.11Å |
| 322 | M | 83.5 | Confident | 84.6 | Confident | 4 Ų | 4 | 57.5 Ų | 57.5 | 2% | 0.02 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -68.9 | -44.7 | 177.4 | -170.3 | 178.6 | -163.3 | 0 | 0 | 111.5 | M316 V319 D320 I325 G326 L327 Y328 L332 | M316-M322 HydrophobicContact CE-CB 4.21Å; M316-M322 HydrophobicContact CE-CE 3.73Å; M316-M322 HydrophobicContact CE-CG 3.77Å; M316-M322 HydrophobicContact CE-SD 3.79Å; M316-M322 HydrophobicContact SD-CB 3.62Å; M316-M322 HydrophobicContact SD-CG 3.55Å; M316-M322 VanDerWaalsContact SD-CG 3.55Å; M316-M322 HydrophobicContact SD-SD 4.37Å; V319-M322 VanDerWaalsContact O-CB 3.23Å; V319-M322 WeakPolarHBondContact O-CB 3.48Å; V319-M322 PolarHBondContact O-N 3.14Å; V319-M322 VanDerWaalsContact O-N 3.11Å; D320-M322 PolarHBondContact O-N 2.97Å; D320-M322 VanDerWaalsContact O-N 3.14Å; M322-I325 PolarHBondContact O-N 2.67Å; M322-G326 PolarHBondContact O-N 3.1Å; M322-L327 HydrophobicContact CE-CB 3.77Å; M322-L327 HydrophobicContact CG-CB 3.67Å; M322-L327 WeakPolarHBondContact CG-O 3.47Å; M322-L327 PolarHBondContact O-N 2.97Å; M322-Y328 WeakPolarHBondContact CE-O 3.41Å; M322-L332 HydrophobicContact CE-CD1 3.98Å; M322-L332 HydrophobicContact CE-CD2 4.16Å; M322-L332 HydrophobicContact CE-CG 3.69Å |
| 323 | L | 82.5 | Confident | 84.3 | Confident | 86 Ų | 86 | 57.3 Ų | 57.3 | 45% | 0.45 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -66 | -37.6 | 176.3 | -68.7 | 172.2 | 0 | 0 | 0 | 112 | V319 D320 I325 G326 Y328 | V319-L323 HydrophobicContact CG1-CD1 4.43Å; V319-L323 PolarHBondContact O-N 3.25Å; V319-L323 VanDerWaalsContact O-N 3.1Å; D320-L323 PolarHBondContact O-N 3.35Å; L323-I325 PolarHBondContact O-N 2.92Å; L323-G326 PolarHBondContact O-N 3.3Å; L323-Y328 HydrophobicContact CD2-CE1 4.47Å |
| 324 | E | 81.4 | Confident | 83.9 | Confident | 94 Ų | 94 | 62 Ų | 62 | 44% | 0.439 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60 | -34.2 | 175.6 | -74 | -171.9 | 178.2 | 0 | 0 | 112.6 | R290 D320 G326 | R290-E324 IonicContact NE-OE1 3.39Å; D320-E324 WeakPolarHBondContact O-CG 3.24Å; D320-E324 PolarHBondContact O-N 3.26Å; E324-G326 VanDerWaalsContact C-N 3.3Å |
| 325 | I | 82.3 | Confident | 83.4 | Confident | 17 Ų | 17 | 67.4 Ų | 67.4 | 9% | 0.087 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -81.7 | -13.2 | 177 | -63.3 | 167.2 | 0 | 0 | 0 | 111.2 | A227 I269 L293 S321 M322 L323 L327 | A227-I325 HydrophobicContact CB-CG2 3.77Å; I269-I325 HydrophobicContact CD1-CB 4.4Å; I269-I325 HydrophobicContact CD1-CG1 4.37Å; I269-I325 HydrophobicContact CD1-CG2 3.78Å; L293-I325 HydrophobicContact CD1-CD1 4.15Å; L293-I325 HydrophobicContact CD1-CG2 4.3Å; S321-I325 WeakPolarHBondContact O-CD1 3.41Å; S321-I325 VanDerWaalsContact O-CG1 3.3Å; S321-I325 WeakPolarHBondContact O-CG1 3.45Å; S321-I325 PolarHBondContact O-N 3.11Å; M322-I325 PolarHBondContact O-N 2.67Å; L323-I325 PolarHBondContact O-N 2.92Å; I325-L327 HydrophobicContact CB-CD1 4.43Å; I325-L327 HydrophobicContact CG2-CD1 3.76Å; I325-L327 HydrophobicContact CG2-CG 3.95Å |
| 326 | G | 82.1 | Confident | 83.2 | Confident | 40 Ų | 40 | 65.4 Ų | 65.4 | 41% | 0.412 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.8 | 24.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | M322 L323 E324 | M322-G326 PolarHBondContact O-N 3.1Å; L323-G326 PolarHBondContact O-N 3.3Å; E324-G326 VanDerWaalsContact C-N 3.3Å |
| 327 | L | 88.1 | Confident | 83.5 | Confident | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 35% | 0.349 | C | S | . | . | trans | -99.9 | 153.1 | 177.1 | -68.8 | 171.6 | 0 | 0 | 0 | 111.1 | F207 A227 L293 M316 M322 I325 D331 | F207-L327 HydrophobicContact CE1-CD1 3.73Å; F207-L327 HydrophobicContact CE1-CD2 4Å; F207-L327 HydrophobicContact CZ-CD1 3.82Å; F207-L327 HydrophobicContact CZ-CD2 3.94Å; A227-L327 HydrophobicContact CB-CD1 4.24Å; A227-L327 HydrophobicContact CB-CD2 3.98Å; A227-L327 HydrophobicContact CB-CG 4.13Å; L293-L327 HydrophobicContact CD1-CD1 4.36Å; M316-L327 HydrophobicContact SD-CD1 4.4Å; M322-L327 HydrophobicContact CE-CB 3.77Å; M322-L327 HydrophobicContact CG-CB 3.67Å; M322-L327 WeakPolarHBondContact CG-O 3.47Å; M322-L327 PolarHBondContact O-N 2.97Å; I325-L327 HydrophobicContact CB-CD1 4.43Å; I325-L327 HydrophobicContact CG2-CD1 3.76Å; I325-L327 HydrophobicContact CG2-CG 3.95Å; L327-D331 HydrophobicContact CD2-CB 4.01Å | ||
| 328 | Y | 88.7 | Confident | 83.9 | Confident | 153 Ų | 153 | 59.2 Ų | 59.2 | 60% | 0.6 | 32% | 0.317 | S | S | * | . | trans | -120.7 | 155.5 | 173.1 | -63.9 | -86.5 | 0 | 0 | 0 | 111.3 | M322 L323 N330 D331 | M322-Y328 WeakPolarHBondContact CE-O 3.41Å; L323-Y328 HydrophobicContact CD2-CE1 4.47Å; Y328-N330 PolarHBondContact O-N 3.44Å; Y328-D331 PolarHBondContact N-OD2 3.2Å; Y328-D331 WeakPolarHBondContact O-CA 3.43Å; Y328-D331 WeakPolarHBondContact O-CB 3.27Å; Y328-D331 PolarHBondContact O-N 3.38Å | ||
| 329 | L | 86.7 | Confident | 84.3 | Confident | 61 Ų | 61 | 59 Ų | 59 | 32% | 0.319 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -49.6 | -31.8 | -179.2 | -173.3 | 65.3 | 0 | 0 | 0 | 113.5 | D331 L332 R339 L343 | L329-D331 VanDerWaalsContact C-N 3.31Å; L329-D331 PolarHBondContact O-N 2.95Å; L329-L332 HydrophobicContact CD1-CD1 4.16Å; L329-L332 WeakPolarHBondContact O-CB 3.19Å; L329-L332 PolarHBondContact O-N 2.76Å; L329-R339 HydrophobicContact CD1-CB 4.05Å; L329-R339 HydrophobicContact CD1-CG 4Å; L329-R339 PolarHBondContact O-NE 3Å; L329-L343 HydrophobicContact CD2-CD1 4.32Å; L329-L343 HydrophobicContact CD2-CD2 4.03Å; L329-L343 HydrophobicContact CD2-CG 4.4Å |
| 330 | N | 87.1 | Confident | 84.5 | Confident | 132 Ų | 132 | 61.9 Ų | 61.9 | 71% | 0.706 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -71.8 | -18.1 | 177.1 | -75.3 | -22 | 0 | 0 | 0 | 115 | Y328 L332 R339 | Y328-N330 PolarHBondContact O-N 3.44Å; N330-L332 VanDerWaalsContact C-N 3.28Å; N330-R339 PolarHBondContact O-NH2 3.38Å |
| 331 | D | 88.6 | Confident | 84.4 | Confident | 23 Ų | 23 | 62.5 Ų | 62.5 | 12% | 0.123 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -73.5 | -21.4 | 172.9 | -72.2 | -58.3 | 0 | 0 | 0 | 112.5 | F207 S223 N226 L327 Y328 L329 | F207-D331 VanDerWaalsContact CE2-O 3.24Å; F207-D331 WeakPolarHBondContact CE2-O 3.35Å; F207-D331 HydrophobicContact CZ-CB 4.47Å; S223-D331 WeakPolarHBondContact OG-CA 3.3Å; S223-D331 WeakPolarHBondContact OG-CB 3.46Å; S223-D331 PolarHBondContact OG-O 2.76Å; S223-D331 PolarHBondContact OG-OD1 2.91Å; N226-D331 PolarHBondContact ND2-OD1 3.3Å; N226-D331 VanDerWaalsContact ND2-OD1 3.16Å; L327-D331 HydrophobicContact CD2-CB 4.01Å; Y328-D331 PolarHBondContact N-OD2 3.2Å; Y328-D331 WeakPolarHBondContact O-CA 3.43Å; Y328-D331 WeakPolarHBondContact O-CB 3.27Å; Y328-D331 PolarHBondContact O-N 3.38Å; L329-D331 VanDerWaalsContact C-N 3.31Å; L329-D331 PolarHBondContact O-N 2.95Å |
| 332 | L | 88.1 | Confident | 84.5 | Confident | 3 Ų | 3 | 60.9 Ų | 60.9 | 2% | 0.016 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -71.8 | 153.6 | 175.9 | -66.4 | -175.5 | 0 | 0 | 0 | 111.8 | F207 P314 M316 M322 L329 N330 S338 R339 V342 | F207-L332 HydrophobicContact CE2-CD2 3.8Å; F207-L332 HydrophobicContact CZ-CD2 4.16Å; P314-L332 HydrophobicContact CG-CD2 3.39Å; M316-L332 HydrophobicContact CE-CD1 3.87Å; M316-L332 HydrophobicContact CE-CD2 3.65Å; M316-L332 HydrophobicContact CE-CG 4.18Å; M322-L332 HydrophobicContact CE-CD1 3.98Å; M322-L332 HydrophobicContact CE-CD2 4.16Å; M322-L332 HydrophobicContact CE-CG 3.69Å; L329-L332 HydrophobicContact CD1-CD1 4.16Å; L329-L332 WeakPolarHBondContact O-CB 3.19Å; L329-L332 PolarHBondContact O-N 2.76Å; N330-L332 VanDerWaalsContact C-N 3.28Å; L332-S338 WeakPolarHBondContact CB-OG 3.44Å; L332-R339 HydrophobicContact CB-CG 3.48Å; L332-R339 VanDerWaalsContact CB-CG 3.48Å; L332-R339 HydrophobicContact CD1-CG 4.06Å; L332-R339 HydrophobicContact CG-CG 4.39Å; L332-R339 PolarHBondContact O-NE 2.61Å; L332-R339 PolarHBondContact O-NH2 3.3Å; L332-V342 HydrophobicContact CD1-CG2 4.15Å |
| 333 | S | 85.7 | Confident | 84.5 | Confident | 7 Ų | 7 | 64.9 Ų | 64.9 | 5% | 0.049 | 34% | 0.337 | C | S | . | . | trans | -62.7 | 140.3 | 174.8 | -69.2 | 0 | 0 | 0 | 0 | 111.4 | P206 H335 D336 R339 | P206-S333 VanDerWaalsContact CD-OG 3.3Å; P206-S333 WeakPolarHBondContact CD-OG 3.17Å; P206-S333 WeakPolarHBondContact CG-OG 3.45Å; S333-H335 PolarHBondContact OG-CE1 3Å; S333-D336 VanDerWaalsContact CB-CG 3.47Å; S333-D336 WeakPolarHBondContact CB-OD2 3.48Å; S333-R339 WeakPolarHBondContact O-CD 3.5Å; S333-R339 PolarHBondContact O-NE 3.18Å | ||
| 334 | M | 82.4 | Confident | 84.4 | Confident | 145 Ų | 145 | 62.7 Ų | 62.7 | 71% | 0.714 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -77.9 | -21.9 | 173.9 | -78.8 | -67.7 | -59.5 | 0 | 0 | 113.2 | R339 | M334-R339 PolarHBondContact SD-NH1 2.91Š|
| 335 | H | 82 | Confident | 84.3 | Confident | 120 Ų | 120 | 59.5 Ų | 59.5 | 56% | 0.556 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -103.1 | -1.7 | -169.8 | 64 | -86.2 | 0 | 0 | 0 | 113 | A204 S333 | A204-H335 PolarHBondContact O-CE1 3.25Å; S333-H335 PolarHBondContact OG-CE1 3Å |
| 336 | D | 83.3 | Confident | 84.2 | Confident | 36 Ų | 36 | 62.1 Ų | 62.1 | 19% | 0.193 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -112.7 | 172.5 | 173.3 | 78.1 | 10 | 0 | 0 | 0 | 110.7 | T313 S333 S338 | T313-D336 VanDerWaalsContact CG2-OD2 3.25Å; T313-D336 WeakPolarHBondContact CG2-OD2 3.43Å; T313-D336 PolarHBondContact OG1-OD2 2.65Å; S333-D336 VanDerWaalsContact CB-CG 3.47Å; S333-D336 WeakPolarHBondContact CB-OD2 3.48Å; D336-S338 PolarHBondContact O-N 3.21Å; D336-S338 WeakPolarHBondContact OD1-CB 2.88Å; D336-S338 PolarHBondContact OD1-N 2.93Å; D336-S338 PolarHBondContact OD1-OG 3.28Å |
| 337 | S | 84.7 | Confident | 84.2 | Confident | 74 Ų | 74 | 66 Ų | 66 | 52% | 0.517 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -83.8 | 9.2 | -177.5 | 57.3 | 0 | 0 | 0 | 0 | 114.1 | D340 M341 | S337-D340 PolarHBondContact O-N 3.1Å; S337-M341 VanDerWaalsContact O-CB 3.27Å; S337-M341 WeakPolarHBondContact O-CB 3.23Å; S337-M341 PolarHBondContact O-N 2.94Å |
| 338 | S | 84.2 | Confident | 83.8 | Confident | 10 Ų | 10 | 72.5 Ų | 72.5 | 7% | 0.07 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -66.5 | -44.1 | -174 | 63.6 | 0 | 0 | 0 | 0 | 112.3 | T313 L332 D336 M341 V342 | T313-S338 VanDerWaalsContact CG2-CB 3.47Å; L332-S338 WeakPolarHBondContact CB-OG 3.44Å; D336-S338 PolarHBondContact O-N 3.21Å; D336-S338 WeakPolarHBondContact OD1-CB 2.88Å; D336-S338 PolarHBondContact OD1-N 2.93Å; D336-S338 PolarHBondContact OD1-OG 3.28Å; S338-M341 PolarHBondContact O-N 3.22Å; S338-V342 WeakPolarHBondContact O-CG2 3.41Å; S338-V342 PolarHBondContact O-N 3.46Å; S338-V342 VanDerWaalsContact O-N 3.12Å |
| 339 | R | 85.2 | Confident | 83.3 | Confident | 41 Ų | 41 | 68.6 Ų | 68.6 | 16% | 0.155 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -60.7 | -48.2 | 175.3 | -67.4 | 179.8 | -178.2 | -139.7 | 4.2 | 111.2 | L329 N330 L332 S333 M334 M341 V342 L343 | L329-R339 HydrophobicContact CD1-CB 4.05Å; L329-R339 HydrophobicContact CD1-CG 4Å; L329-R339 PolarHBondContact O-NE 3Å; N330-R339 PolarHBondContact O-NH2 3.38Å; L332-R339 HydrophobicContact CB-CG 3.48Å; L332-R339 VanDerWaalsContact CB-CG 3.48Å; L332-R339 HydrophobicContact CD1-CG 4.06Å; L332-R339 HydrophobicContact CG-CG 4.39Å; L332-R339 PolarHBondContact O-NE 2.61Å; L332-R339 PolarHBondContact O-NH2 3.3Å; S333-R339 WeakPolarHBondContact O-CD 3.5Å; S333-R339 PolarHBondContact O-NE 3.18Å; M334-R339 PolarHBondContact SD-NH1 2.91Å; R339-M341 VanDerWaalsContact C-N 3.27Å; R339-M341 PolarHBondContact O-N 3.41Å; R339-V342 PolarHBondContact O-N 3.47Å; R339-L343 WeakPolarHBondContact O-CG 3.34Å; R339-L343 PolarHBondContact O-N 3.07Å; R339-L343 VanDerWaalsContact O-N 3.07Å |
| 340 | D | 83.7 | Confident | 83 | Confident | 110 Ų | 110 | 68.6 Ų | 68.6 | 59% | 0.588 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -62.2 | -37.5 | 179.8 | -65.2 | -23.5 | 0 | 0 | 0 | 111.5 | S337 A344 | S337-D340 PolarHBondContact O-N 3.1Å; D340-A344 WeakPolarHBondContact O-CB 3.35Å; D340-A344 PolarHBondContact O-N 3.34Å |
| 341 | M | 80.6 | Confident | 82.7 | Confident | 117 Ų | 117 | 67.4 Ų | 67.4 | 58% | 0.576 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -67.2 | -44 | 179.2 | -170.4 | 176.7 | -56.3 | 0 | 0 | 112.3 | S337 S338 R339 G345 | S337-M341 VanDerWaalsContact O-CB 3.27Å; S337-M341 WeakPolarHBondContact O-CB 3.23Å; S337-M341 PolarHBondContact O-N 2.94Å; S338-M341 PolarHBondContact O-N 3.22Å; R339-M341 VanDerWaalsContact C-N 3.27Å; R339-M341 PolarHBondContact O-N 3.41Å; M341-G345 PolarHBondContact O-N 3.03Å |
| 342 | V | 82.7 | Confident | 82.3 | Confident | 5 Ų | 5 | 72.4 Ų | 72.4 | 3% | 0.03 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -63.5 | -45.7 | 177 | 173.5 | 0 | 0 | 0 | 0 | 110.3 | M316 V319 L332 S338 R339 G345 E346 | M316-V342 HydrophobicContact CB-CG2 4.35Å; M316-V342 HydrophobicContact CE-CG2 4.18Å; V319-V342 HydrophobicContact CG2-CG1 3.44Å; V319-V342 VanDerWaalsContact CG2-CG1 3.44Å; L332-V342 HydrophobicContact CD1-CG2 4.15Å; S338-V342 WeakPolarHBondContact O-CG2 3.41Å; S338-V342 PolarHBondContact O-N 3.46Å; S338-V342 VanDerWaalsContact O-N 3.12Å; R339-V342 PolarHBondContact O-N 3.47Å; V342-G345 PolarHBondContact O-N 3.32Å; V342-E346 PolarHBondContact O-N 3.43Å; V342-E346 VanDerWaalsContact O-N 3.15Å |
| 343 | L | 83.7 | Confident | 82.2 | Confident | 89 Ų | 89 | 78.6 Ų | 78.6 | 47% | 0.466 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -67 | -42.6 | 179.3 | -66.2 | 176.5 | 0 | 0 | 0 | 112.7 | L329 R339 G345 E346 Q347 | L329-L343 HydrophobicContact CD2-CD1 4.32Å; L329-L343 HydrophobicContact CD2-CD2 4.03Å; L329-L343 HydrophobicContact CD2-CG 4.4Å; R339-L343 WeakPolarHBondContact O-CG 3.34Å; R339-L343 PolarHBondContact O-N 3.07Å; R339-L343 VanDerWaalsContact O-N 3.07Å; L343-G345 VanDerWaalsContact C-N 3.31Å; L343-G345 PolarHBondContact O-N 3.39Å; L343-E346 PolarHBondContact O-N 3.49Å; L343-Q347 PolarHBondContact O-N 3.35Å |
| 344 | A | 81 | Confident | 82.2 | Confident | 40 Ų | 40 | 82.6 Ų | 82.6 | 33% | 0.331 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -65.5 | -36.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | D340 Q347 Q348 | D340-A344 WeakPolarHBondContact O-CB 3.35Å; D340-A344 PolarHBondContact O-N 3.34Å; A344-Q347 PolarHBondContact O-N 2.84Å; A344-Q348 WeakPolarHBondContact O-CB 3.32Å; A344-Q348 VanDerWaalsContact O-CG 3.32Å; A344-Q348 WeakPolarHBondContact O-CG 3.44Å; A344-Q348 PolarHBondContact O-N 3.21Å |
| 345 | G | 80.5 | Confident | 82.5 | Confident | 26 Ų | 26 | 78.1 Ų | 78.1 | 27% | 0.268 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -59.5 | -48.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | M341 V342 L343 Q348 S349 | M341-G345 PolarHBondContact O-N 3.03Å; V342-G345 PolarHBondContact O-N 3.32Å; L343-G345 VanDerWaalsContact C-N 3.31Å; L343-G345 PolarHBondContact O-N 3.39Å; G345-Q348 PolarHBondContact O-N 3.2Å; G345-S349 WeakPolarHBondContact O-CB 3.12Å; G345-S349 PolarHBondContact O-N 2.95Å |
| 346 | E | 80.2 | Confident | 82.8 | Confident | 73 Ų | 73 | 77.2 Ų | 77.2 | 34% | 0.341 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -62.3 | -44.4 | 176 | -71.2 | -58 | 144.8 | 0 | 0 | 112.4 | V319 V342 L343 Q348 S349 A350 | V319-E346 HydrophobicContact CB-CG 4.28Å; V319-E346 HydrophobicContact CG2-CG 3.41Å; V319-E346 VanDerWaalsContact CG2-CG 3.41Å; V319-E346 PolarHBondContact N-OE1 3.37Å; V342-E346 PolarHBondContact O-N 3.43Å; V342-E346 VanDerWaalsContact O-N 3.15Å; L343-E346 PolarHBondContact O-N 3.49Å; E346-Q348 PolarHBondContact O-N 2.98Å; E346-S349 PolarHBondContact O-N 3.15Å; E346-A350 WeakPolarHBondContact O-CB 3.42Å; E346-A350 PolarHBondContact O-N 3.36Å |
| 347 | Q | 81.2 | Confident | 83 | Confident | 121 Ų | 121 | 80.4 Ų | 80.4 | 57% | 0.565 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -60.2 | -47.9 | 178.2 | -175.9 | -177 | -14.9 | 0 | 0 | 111.3 | L343 A344 S349 A350 E351 | L343-Q347 PolarHBondContact O-N 3.35Å; A344-Q347 PolarHBondContact O-N 2.84Å; Q347-S349 VanDerWaalsContact C-N 3.34Å; Q347-S349 PolarHBondContact O-N 3.02Å; Q347-A350 PolarHBondContact O-N 3.29Å; Q347-E351 WeakPolarHBondContact CG-OE1 3.39Å; Q347-E351 PolarHBondContact NE2-OE1 3.42Å; Q347-E351 WeakPolarHBondContact O-CB 3.38Å; Q347-E351 WeakPolarHBondContact O-CG 3.43Å; Q347-E351 PolarHBondContact O-N 2.95Å |
| 348 | Q | 79.6 | Confident | 83.2 | Confident | 136 Ų | 136 | 81.1 Ų | 81.1 | 64% | 0.636 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -64.9 | -38.1 | 179 | -72.6 | -178.7 | 8.5 | 0 | 0 | 112 | A344 G345 E346 L352 | A344-Q348 WeakPolarHBondContact O-CB 3.32Å; A344-Q348 VanDerWaalsContact O-CG 3.32Å; A344-Q348 WeakPolarHBondContact O-CG 3.44Å; A344-Q348 PolarHBondContact O-N 3.21Å; G345-Q348 PolarHBondContact O-N 3.2Å; E346-Q348 PolarHBondContact O-N 2.98Å; Q348-L352 WeakPolarHBondContact O-CB 3.49Å; Q348-L352 PolarHBondContact O-N 3.4Å |
| 349 | S | 79.2 | Confident | 83.4 | Confident | 72 Ų | 72 | 86 Ų | 86 | 50% | 0.503 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -63 | -44.6 | 175.8 | -172.3 | 0 | 0 | 0 | 0 | 111.6 | G345 E346 Q347 L352 K353 | G345-S349 WeakPolarHBondContact O-CB 3.12Å; G345-S349 PolarHBondContact O-N 2.95Å; E346-S349 PolarHBondContact O-N 3.15Å; Q347-S349 VanDerWaalsContact C-N 3.34Å; Q347-S349 PolarHBondContact O-N 3.02Å; S349-L352 PolarHBondContact O-N 3.3Å; S349-K353 WeakPolarHBondContact O-CB 3.21Å; S349-K353 PolarHBondContact O-N 3.47Å |
| 350 | A | 80 | Confident | 83.6 | Confident | 60 Ų | 60 | 87.9 Ų | 87.9 | 50% | 0.496 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65.4 | -45.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | E346 Q347 L352 K353 L354 | E346-A350 WeakPolarHBondContact O-CB 3.42Å; E346-A350 PolarHBondContact O-N 3.36Å; Q347-A350 PolarHBondContact O-N 3.29Å; A350-L352 VanDerWaalsContact C-N 3.35Å; A350-L352 PolarHBondContact O-N 3.47Å; A350-K353 PolarHBondContact O-N 2.87Å; A350-L354 WeakPolarHBondContact O-CB 3.49Å; A350-L354 PolarHBondContact O-N 2.92Å |
| 351 | E | 81.1 | Confident | 83.9 | Confident | 108 Ų | 108 | 87.2 Ų | 87.2 | 51% | 0.505 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.7 | -42.8 | 176.3 | -74.5 | 177.7 | -167.5 | 0 | 0 | 111.6 | Q347 L354 A355 | Q347-E351 WeakPolarHBondContact CG-OE1 3.39Å; Q347-E351 PolarHBondContact NE2-OE1 3.42Å; Q347-E351 WeakPolarHBondContact O-CB 3.38Å; Q347-E351 WeakPolarHBondContact O-CG 3.43Å; Q347-E351 PolarHBondContact O-N 2.95Å; E351-L354 PolarHBondContact O-N 2.91Å; E351-A355 WeakPolarHBondContact O-CB 3.42Å; E351-A355 PolarHBondContact O-N 3.34Å |
| 352 | L | 80.1 | Confident | 84.3 | Confident | 127 Ų | 127 | 88.3 Ų | 88.3 | 67% | 0.665 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -64.2 | -41.9 | 177 | 179.7 | 61.1 | 0 | 0 | 0 | 111.9 | Q348 S349 A350 A355 L356 | Q348-L352 WeakPolarHBondContact O-CB 3.49Å; Q348-L352 PolarHBondContact O-N 3.4Å; S349-L352 PolarHBondContact O-N 3.3Å; A350-L352 VanDerWaalsContact C-N 3.35Å; A350-L352 PolarHBondContact O-N 3.47Å; L352-A355 PolarHBondContact O-N 2.94Å; L352-L356 WeakPolarHBondContact O-CB 3.5Å; L352-L356 PolarHBondContact O-N 2.95Å |
| 353 | K | 84.3 | Confident | 84.4 | Confident | 134 Ų | 134 | 90.2 Ų | 90.2 | 58% | 0.583 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -63.1 | -44.7 | 176.9 | -173.1 | 177.4 | 178.3 | -178.5 | 0 | 111.3 | S349 A350 L356 E357 | S349-K353 WeakPolarHBondContact O-CB 3.21Å; S349-K353 PolarHBondContact O-N 3.47Å; A350-K353 PolarHBondContact O-N 2.87Å; K353-L356 PolarHBondContact O-N 3.07Å; K353-E357 WeakPolarHBondContact CE-OE1 3.4Å; K353-E357 WeakPolarHBondContact O-CG 3.39Å; K353-E357 PolarHBondContact O-N 3.21Å |
| 354 | L | 87.6 | Confident | 84.7 | Confident | 91 Ų | 91 | 92.6 Ų | 92.6 | 48% | 0.476 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.7 | -44.9 | 175.7 | 179.3 | 63.4 | 0 | 0 | 0 | 111.8 | A350 E351 L356 E357 Q358 | A350-L354 WeakPolarHBondContact O-CB 3.49Å; A350-L354 PolarHBondContact O-N 2.92Å; E351-L354 PolarHBondContact O-N 2.91Å; L354-L356 VanDerWaalsContact C-N 3.28Å; L354-L356 PolarHBondContact O-N 3.4Å; L354-E357 PolarHBondContact O-N 3.07Å; L354-Q358 HydrophobicContact CD1-CG 4.45Å; L354-Q358 VanDerWaalsContact O-CG 3.31Å; L354-Q358 WeakPolarHBondContact O-CG 3.44Å; L354-Q358 PolarHBondContact O-N 3.4Å |
| 355 | A | 86.9 | Confident | 85.2 | Confident | 51 Ų | 51 | 97.8 Ų | 97.8 | 42% | 0.421 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61 | -38.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | E351 L352 E359 | E351-A355 WeakPolarHBondContact O-CB 3.42Å; E351-A355 PolarHBondContact O-N 3.34Å; L352-A355 PolarHBondContact O-N 2.94Å; A355-E359 WeakPolarHBondContact O-CB 3.45Å; A355-E359 PolarHBondContact O-N 3.27Å |
| 356 | L | 88.4 | Confident | 85.6 | Confident | 100 Ų | 100 | 101.6 Ų | 101.6 | 52% | 0.524 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67 | -42.7 | 176.2 | -179.1 | 63 | 0 | 0 | 0 | 112.3 | L352 K353 L354 E359 N360 | L352-L356 WeakPolarHBondContact O-CB 3.5Å; L352-L356 PolarHBondContact O-N 2.95Å; K353-L356 PolarHBondContact O-N 3.07Å; L354-L356 VanDerWaalsContact C-N 3.28Å; L354-L356 PolarHBondContact O-N 3.4Å; L356-E359 PolarHBondContact O-N 3.33Å; L356-N360 PolarHBondContact O-N 3.38Å |
| 357 | E | 87.5 | Confident | 86 | Confident | 104 Ų | 104 | 104 Ų | 104 | 49% | 0.486 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.4 | -43.3 | 176.3 | -73.8 | 172.5 | -171.8 | 0 | 0 | 111.6 | K353 L354 E359 N360 E361 | K353-E357 WeakPolarHBondContact CE-OE1 3.4Å; K353-E357 WeakPolarHBondContact O-CG 3.39Å; K353-E357 PolarHBondContact O-N 3.21Å; L354-E357 PolarHBondContact O-N 3.07Å; E357-E359 VanDerWaalsContact C-N 3.33Å; E357-E359 PolarHBondContact O-N 2.94Å; E357-N360 PolarHBondContact O-N 2.92Å; E357-E361 PolarHBondContact O-N 2.97Å |
| 358 | Q | 90.2 | Very high | 86.5 | Confident | 88 Ų | 88 | 102.8 Ų | 102.8 | 41% | 0.411 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.4 | -37.5 | 176.1 | -72.4 | 177.9 | 3.2 | 0 | 0 | 112.8 | L354 K362 | L354-Q358 HydrophobicContact CD1-CG 4.45Å; L354-Q358 VanDerWaalsContact O-CG 3.31Å; L354-Q358 WeakPolarHBondContact O-CG 3.44Å; L354-Q358 PolarHBondContact O-N 3.4Å; Q358-K362 VanDerWaalsContact O-CG 3.29Å; Q358-K362 WeakPolarHBondContact O-CG 3.39Å; Q358-K362 PolarHBondContact O-N 3.41Å |
| 359 | E | 87.1 | Confident | 87 | Confident | 113 Ų | 113 | 99.1 Ų | 99.1 | 53% | 0.528 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.8 | -46.1 | 177.3 | -165.8 | -83.9 | 162.8 | 0 | 0 | 111 | A355 L356 E357 E361 K362 S363 | A355-E359 WeakPolarHBondContact O-CB 3.45Å; A355-E359 PolarHBondContact O-N 3.27Å; L356-E359 PolarHBondContact O-N 3.33Å; E357-E359 VanDerWaalsContact C-N 3.33Å; E357-E359 PolarHBondContact O-N 2.94Å; E359-E361 VanDerWaalsContact C-N 3.32Å; E359-E361 PolarHBondContact O-N 3.49Å; E359-K362 PolarHBondContact O-N 2.97Å; E359-S363 PolarHBondContact O-N 3.02Å |
| 360 | N | 89.1 | Confident | 87.6 | Confident | 81 Ų | 81 | 99.9 Ų | 99.9 | 43% | 0.433 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.9 | -41 | 174 | -82.9 | -32.3 | 0 | 0 | 0 | 112.5 | L356 E357 S363 K364 | L356-N360 PolarHBondContact O-N 3.38Å; E357-N360 PolarHBondContact O-N 2.92Å; N360-S363 PolarHBondContact O-N 2.85Å; N360-K364 WeakPolarHBondContact O-CG 3.25Å; N360-K364 PolarHBondContact O-N 3.4Å; N360-K364 VanDerWaalsContact O-N 3.08Å |
| 361 | E | 90.7 | Very high | 88.1 | Confident | 95 Ų | 95 | 104.2 Ų | 104.2 | 44% | 0.444 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.7 | -43.3 | 177.1 | -170.8 | -177.3 | -166.8 | 0 | 0 | 111.9 | E357 E359 S363 K364 R365 | E357-E361 PolarHBondContact O-N 2.97Å; E359-E361 VanDerWaalsContact C-N 3.32Å; E359-E361 PolarHBondContact O-N 3.49Å; E361-S363 VanDerWaalsContact C-N 3.32Å; E361-S363 PolarHBondContact O-N 3.04Å; E361-K364 PolarHBondContact O-N 3.01Å; E361-R365 VanDerWaalsContact CD-NH2 3.32Å; E361-R365 WeakPolarHBondContact O-CG 3.31Å; E361-R365 PolarHBondContact O-N 3.45Å; E361-R365 IonicContact OE1-CZ 3.46Å; E361-R365 IonicContact OE1-NE 3.32Å; E361-R365 PolarHBondContact OE1-NE 3.46Å; E361-R365 IonicContact OE1-NH2 3.84Å; E361-R365 PolarHBondContact OE1-NH2 3.33Å; E361-R365 IonicContact OE2-NH2 3.3Å |
| 362 | K | 88.2 | Confident | 88.5 | Confident | 140 Ų | 140 | 106.3 Ų | 106.3 | 61% | 0.609 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.2 | -40.4 | 175.6 | -73.5 | 171.7 | -173.2 | 172.2 | 0 | 111.7 | Q358 E359 R365 L366 | Q358-K362 VanDerWaalsContact O-CG 3.29Å; Q358-K362 WeakPolarHBondContact O-CG 3.39Å; Q358-K362 PolarHBondContact O-N 3.41Å; E359-K362 PolarHBondContact O-N 2.97Å; K362-R365 PolarHBondContact O-N 3.49Å; K362-L366 WeakPolarHBondContact O-CB 3.41Å; K362-L366 PolarHBondContact O-N 3.05Å |
| 363 | S | 85.1 | Confident | 89 | Confident | 46 Ų | 46 | 104.8 Ų | 104.8 | 32% | 0.322 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.9 | -47.2 | 176.6 | -164.8 | 0 | 0 | 0 | 0 | 111.4 | E359 N360 E361 R365 L366 E367 | E359-S363 PolarHBondContact O-N 3.02Å; N360-S363 PolarHBondContact O-N 2.85Å; E361-S363 VanDerWaalsContact C-N 3.32Å; E361-S363 PolarHBondContact O-N 3.04Å; S363-R365 PolarHBondContact O-N 2.99Å; S363-L366 WeakPolarHBondContact O-CB 3.44Å; S363-L366 PolarHBondContact O-N 3.15Å; S363-E367 WeakPolarHBondContact O-CG 3.47Å; S363-E367 PolarHBondContact O-N 3.27Å |
| 364 | K | 91.3 | Very high | 89.1 | Confident | 138 Ų | 138 | 102.5 Ų | 102.5 | 60% | 0.6 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -60.5 | -45.1 | 177.5 | -71.1 | 177.1 | -178 | -178.3 | 0 | 112.7 | N360 E361 L366 E367 E368 | N360-K364 WeakPolarHBondContact O-CG 3.25Å; N360-K364 PolarHBondContact O-N 3.4Å; N360-K364 VanDerWaalsContact O-N 3.08Å; E361-K364 PolarHBondContact O-N 3.01Å; K364-L366 VanDerWaalsContact C-N 3.28Å; K364-L366 PolarHBondContact O-N 2.99Å; K364-E367 PolarHBondContact O-N 3.14Å; K364-E368 PolarHBondContact O-N 2.96Å |
| 365 | R | 90.6 | Very high | 89.1 | Confident | 150 Ų | 150 | 102 Ų | 102 | 57% | 0.566 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62.4 | -37.6 | 177.2 | -70.4 | 176.7 | -175.1 | -173.3 | 2.3 | 111.9 | E361 K362 S363 S369 | E361-R365 VanDerWaalsContact CD-NH2 3.32Å; E361-R365 WeakPolarHBondContact O-CG 3.31Å; E361-R365 PolarHBondContact O-N 3.45Å; E361-R365 IonicContact OE1-CZ 3.46Å; E361-R365 IonicContact OE1-NE 3.32Å; E361-R365 PolarHBondContact OE1-NE 3.46Å; E361-R365 IonicContact OE1-NH2 3.84Å; E361-R365 PolarHBondContact OE1-NH2 3.33Å; E361-R365 IonicContact OE2-NH2 3.3Å; K362-R365 PolarHBondContact O-N 3.49Å; S363-R365 PolarHBondContact O-N 2.99Å; R365-S369 WeakPolarHBondContact O-CB 3.49Å; R365-S369 PolarHBondContact O-N 2.95Å |
| 366 | L | 89 | Confident | 89 | Confident | 106 Ų | 106 | 105.5 Ų | 105.5 | 56% | 0.555 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.1 | -46.1 | 176.3 | -180 | 60.8 | 0 | 0 | 0 | 111.1 | K362 S363 K364 E368 S369 L370 | K362-L366 WeakPolarHBondContact O-CB 3.41Å; K362-L366 PolarHBondContact O-N 3.05Å; S363-L366 WeakPolarHBondContact O-CB 3.44Å; S363-L366 PolarHBondContact O-N 3.15Å; K364-L366 VanDerWaalsContact C-N 3.28Å; K364-L366 PolarHBondContact O-N 2.99Å; L366-E368 PolarHBondContact O-N 2.94Å; L366-S369 WeakPolarHBondContact O-CB 3.38Å; L366-S369 PolarHBondContact O-N 3.3Å; L366-L370 HydrophobicContact CD1-CG 4.42Å; L366-L370 HydrophobicContact CG-CD1 4.31Å; L366-L370 WeakPolarHBondContact O-CG 3.29Å; L366-L370 PolarHBondContact O-N 2.96Å |
| 367 | E | 88.3 | Confident | 89 | Confident | 124 Ų | 124 | 105.3 Ų | 105.3 | 58% | 0.579 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -59.1 | -45.6 | 176.4 | -72.8 | 171.1 | -165.5 | 0 | 0 | 112.2 | S363 K364 S369 L370 R371 | S363-E367 WeakPolarHBondContact O-CG 3.47Å; S363-E367 PolarHBondContact O-N 3.27Å; K364-E367 PolarHBondContact O-N 3.14Å; E367-S369 VanDerWaalsContact C-N 3.32Å; E367-S369 PolarHBondContact O-N 3.23Å; E367-L370 PolarHBondContact O-N 3.46Å; E367-R371 PolarHBondContact O-N 3.43Å |
| 368 | E | 92.2 | Very high | 88.8 | Confident | 94 Ų | 94 | 107.6 Ų | 107.6 | 44% | 0.439 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.2 | -40.1 | 175.7 | -73.1 | -177.3 | -176.8 | 0 | 0 | 112.4 | K364 L366 R371 R372 | K364-E368 PolarHBondContact O-N 2.96Å; L366-E368 PolarHBondContact O-N 2.94Å; E368-R371 PolarHBondContact O-N 3.47Å; E368-R372 WeakPolarHBondContact O-CG 3.36Å; E368-R372 PolarHBondContact O-N 2.93Å; E368-R372 VanDerWaalsContact O-N 3.1Å |
| 369 | S | 90 | Very high | 88.6 | Confident | 59 Ų | 59 | 111 Ų | 111 | 41% | 0.413 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.4 | -40.8 | 177.3 | -171.8 | 0 | 0 | 0 | 0 | 111.8 | R365 L366 E367 R372 L373 | R365-S369 WeakPolarHBondContact O-CB 3.49Å; R365-S369 PolarHBondContact O-N 2.95Å; L366-S369 WeakPolarHBondContact O-CB 3.38Å; L366-S369 PolarHBondContact O-N 3.3Å; E367-S369 VanDerWaalsContact C-N 3.32Å; E367-S369 PolarHBondContact O-N 3.23Å; S369-R372 PolarHBondContact O-N 3.48Å; S369-L373 WeakPolarHBondContact O-CG 3.45Å; S369-L373 PolarHBondContact O-N 3.28Å |
| 370 | L | 91.6 | Very high | 88.4 | Confident | 89 Ų | 89 | 109 Ų | 109 | 47% | 0.466 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.3 | -44.5 | 176.6 | -71.5 | 173.3 | 0 | 0 | 0 | 110.8 | L366 E367 R372 L373 D374 | L366-L370 HydrophobicContact CD1-CG 4.42Å; L366-L370 HydrophobicContact CG-CD1 4.31Å; L366-L370 WeakPolarHBondContact O-CG 3.29Å; L366-L370 PolarHBondContact O-N 2.96Å; E367-L370 PolarHBondContact O-N 3.46Å; L370-R372 VanDerWaalsContact C-N 3.33Å; L370-R372 PolarHBondContact O-N 2.97Å; L370-L373 WeakPolarHBondContact O-CB 3.41Å; L370-L373 PolarHBondContact O-N 3.47Å; L370-D374 PolarHBondContact O-N 3.12Å |
| 371 | R | 90.7 | Very high | 88.2 | Confident | 150 Ų | 150 | 106.3 Ų | 106.3 | 57% | 0.566 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -58.9 | -43 | 176.7 | -166.7 | -177.6 | 78.1 | -152.8 | -1.9 | 112.5 | E367 E368 D374 E375 | E367-R371 PolarHBondContact O-N 3.43Å; E368-R371 PolarHBondContact O-N 3.47Å; R371-D374 PolarHBondContact O-N 3.06Å; R371-E375 IonicContact NE-OE1 2.95Å; R371-E375 PolarHBondContact NE-OE1 3.39Å; R371-E375 WeakPolarHBondContact O-CG 3.21Å; R371-E375 PolarHBondContact O-N 2.85Å |
| 372 | R | 90.4 | Very high | 87.8 | Confident | 153 Ų | 153 | 106 Ų | 106 | 58% | 0.577 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64.6 | -41.6 | 177.3 | -71.5 | 178.4 | -168.8 | 174.9 | 7.8 | 112 | E368 S369 L370 D374 E375 E376 | E368-R372 WeakPolarHBondContact O-CG 3.36Å; E368-R372 PolarHBondContact O-N 2.93Å; E368-R372 VanDerWaalsContact O-N 3.1Å; S369-R372 PolarHBondContact O-N 3.48Å; L370-R372 VanDerWaalsContact C-N 3.33Å; L370-R372 PolarHBondContact O-N 2.97Å; R372-D374 VanDerWaalsContact C-N 3.32Å; R372-E375 PolarHBondContact O-N 2.84Å; R372-E376 WeakPolarHBondContact O-CB 3.5Å; R372-E376 PolarHBondContact O-N 3.35Å |
| 373 | L | 89.4 | Confident | 87.6 | Confident | 95 Ų | 95 | 104.3 Ų | 104.3 | 50% | 0.497 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.8 | -41.5 | 176 | -74.4 | 169.4 | 0 | 0 | 0 | 111.3 | S369 L370 E376 M377 | S369-L373 WeakPolarHBondContact O-CG 3.45Å; S369-L373 PolarHBondContact O-N 3.28Å; L370-L373 WeakPolarHBondContact O-CB 3.41Å; L370-L373 PolarHBondContact O-N 3.47Å; L373-E376 PolarHBondContact O-N 3.08Å; L373-M377 WeakPolarHBondContact O-CB 3.4Å; L373-M377 PolarHBondContact O-N 3.19Å |
| 374 | D | 85.7 | Confident | 87.6 | Confident | 85 Ų | 85 | 104.7 Ų | 104.7 | 46% | 0.455 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.4 | -42.6 | 177.2 | -71.9 | -25.3 | 0 | 0 | 0 | 112.2 | L370 R371 R372 E376 M377 R378 | L370-D374 PolarHBondContact O-N 3.12Å; R371-D374 PolarHBondContact O-N 3.06Å; R372-D374 VanDerWaalsContact C-N 3.32Å; D374-E376 PolarHBondContact O-N 3.04Å; D374-M377 PolarHBondContact O-N 3.36Å; D374-R378 WeakPolarHBondContact O-CB 3.33Å; D374-R378 PolarHBondContact O-N 3.24Å |
| 375 | E | 88.4 | Confident | 87.3 | Confident | 82 Ų | 82 | 100.4 Ų | 100.4 | 38% | 0.383 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62 | -42.2 | 175.8 | -74.2 | 172.5 | -156.8 | 0 | 0 | 112 | R371 R372 R379 | R371-E375 IonicContact NE-OE1 2.95Å; R371-E375 PolarHBondContact NE-OE1 3.39Å; R371-E375 WeakPolarHBondContact O-CG 3.21Å; R371-E375 PolarHBondContact O-N 2.85Å; R372-E375 PolarHBondContact O-N 2.84Å; E375-R379 WeakPolarHBondContact O-CG 3.35Å; E375-R379 PolarHBondContact O-N 3.46Å; E375-R379 VanDerWaalsContact O-N 3.12Å |
| 376 | E | 85.4 | Confident | 86.8 | Confident | 124 Ų | 124 | 100.6 Ų | 100.6 | 58% | 0.579 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -69.6 | -42.4 | 177.6 | -171.1 | 176.8 | -177.2 | 0 | 0 | 111.7 | R372 L373 D374 R378 R379 T380 | R372-E376 WeakPolarHBondContact O-CB 3.5Å; R372-E376 PolarHBondContact O-N 3.35Å; L373-E376 PolarHBondContact O-N 3.08Å; D374-E376 PolarHBondContact O-N 3.04Å; E376-R378 VanDerWaalsContact C-N 3.35Å; E376-R378 PolarHBondContact O-N 3.47Å; E376-R379 PolarHBondContact O-N 2.67Å; E376-T380 PolarHBondContact O-N 2.92Å; E376-T380 PolarHBondContact O-OG1 3.29Å |
| 377 | M | 86.9 | Confident | 86.4 | Confident | 95 Ų | 95 | 102 Ų | 102 | 47% | 0.468 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.1 | -43.7 | 174.8 | -173.3 | 175.8 | 65.6 | 0 | 0 | 111 | L373 D374 R379 T380 D381 | L373-M377 WeakPolarHBondContact O-CB 3.4Å; L373-M377 PolarHBondContact O-N 3.19Å; D374-M377 PolarHBondContact O-N 3.36Å; M377-R379 PolarHBondContact O-N 3.23Å; M377-T380 VanDerWaalsContact CA-OG1 3.28Å; M377-T380 WeakPolarHBondContact CA-OG1 3.41Å; M377-T380 PolarHBondContact O-N 3.47Å; M377-T380 PolarHBondContact O-OG1 2.98Å; M377-D381 VanDerWaalsContact O-CB 3.3Å; M377-D381 WeakPolarHBondContact O-CB 3.42Å; M377-D381 PolarHBondContact O-N 3.37Å |
| 378 | R | 84.1 | Confident | 86.3 | Confident | 153 Ų | 153 | 96.4 Ų | 96.4 | 58% | 0.577 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -62 | -44.4 | 176.9 | -171 | -178.7 | 68.9 | 138.2 | 2.8 | 112 | D374 E376 D381 E382 | D374-R378 WeakPolarHBondContact O-CB 3.33Å; D374-R378 PolarHBondContact O-N 3.24Å; E376-R378 VanDerWaalsContact C-N 3.35Å; E376-R378 PolarHBondContact O-N 3.47Å; R378-D381 PolarHBondContact O-N 3.47Å; R378-E382 IonicContact CZ-OE1 2.58Å; R378-E382 IonicContact NE-OE1 3.66Å; R378-E382 IonicContact NH1-OE1 3.34Å; R378-E382 WeakPolarHBondContact O-CB 3.43Å; R378-E382 VanDerWaalsContact O-CG 3.32Å; R378-E382 WeakPolarHBondContact O-CG 3.37Å; R378-E382 PolarHBondContact O-N 3.32Å |
| 379 | R | 85.1 | Confident | 85.9 | Confident | 159 Ų | 159 | 92.4 Ų | 92.4 | 60% | 0.6 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -64.1 | -42.5 | 177.8 | -74.2 | 177.1 | -176.3 | 175 | 5.4 | 112 | E375 E376 M377 L383 | E375-R379 WeakPolarHBondContact O-CG 3.35Å; E375-R379 PolarHBondContact O-N 3.46Å; E375-R379 VanDerWaalsContact O-N 3.12Å; E376-R379 PolarHBondContact O-N 2.67Å; M377-R379 PolarHBondContact O-N 3.23Å; R379-L383 VanDerWaalsContact O-CG 3.27Å; R379-L383 WeakPolarHBondContact O-CG 3.4Å; R379-L383 PolarHBondContact O-N 2.97Å; R379-L383 VanDerWaalsContact O-N 3.07Å |
| 380 | T | 83.7 | Confident | 85.7 | Confident | 70 Ų | 70 | 94.1 Ų | 94.1 | 43% | 0.429 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -67.4 | -38.2 | 178 | 42.3 | 0 | 0 | 0 | 0 | 111.7 | E376 M377 L384 | E376-T380 PolarHBondContact O-N 2.92Å; E376-T380 PolarHBondContact O-OG1 3.29Å; M377-T380 VanDerWaalsContact CA-OG1 3.28Å; M377-T380 WeakPolarHBondContact CA-OG1 3.41Å; M377-T380 PolarHBondContact O-N 3.47Å; M377-T380 PolarHBondContact O-OG1 2.98Å; T380-L384 VanDerWaalsContact O-CB 3.32Å; T380-L384 WeakPolarHBondContact O-CB 3.27Å; T380-L384 PolarHBondContact O-N 2.98Å |
| 381 | D | 84.3 | Confident | 85.2 | Confident | 25 Ų | 25 | 92.1 Ų | 92.1 | 13% | 0.134 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -66.5 | -44.7 | 174.4 | -80 | 10.9 | 0 | 0 | 0 | 111.9 | M377 R378 L383 L384 Y385 R397 | M377-D381 VanDerWaalsContact O-CB 3.3Å; M377-D381 WeakPolarHBondContact O-CB 3.42Å; M377-D381 PolarHBondContact O-N 3.37Å; R378-D381 PolarHBondContact O-N 3.47Å; D381-L383 PolarHBondContact O-N 3.41Å; D381-L384 PolarHBondContact O-N 2.92Å; D381-Y385 HydrophobicContact CB-CD2 4.3Å; D381-Y385 HydrophobicContact CB-CE2 3.78Å; D381-Y385 WeakPolarHBondContact O-CB 3.3Å; D381-Y385 WeakPolarHBondContact O-CD2 3.32Å; D381-Y385 PolarHBondContact O-N 3.21Å; D381-R397 IonicContact OD1-CZ 2.73Å; D381-R397 IonicContact OD1-NH1 3.84Å; D381-R397 PolarHBondContact OD1-NH1 3.4Å; D381-R397 IonicContact OD1-NH2 3.68Å; D381-R397 PolarHBondContact OD1-NH2 3.5Å; D381-R397 IonicContact OD2-NH1 2.76Å; D381-R397 PolarHBondContact OD2-NH1 3.48Å |
| 382 | E | 83.5 | Confident | 84.9 | Confident | 88 Ų | 88 | 85 Ų | 85 | 41% | 0.411 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -58 | -46.6 | 175.6 | -78.6 | 171.2 | -171.3 | 0 | 0 | 111.7 | R378 Y385 Q386 | R378-E382 IonicContact CZ-OE1 2.58Å; R378-E382 IonicContact NE-OE1 3.66Å; R378-E382 IonicContact NH1-OE1 3.34Å; R378-E382 WeakPolarHBondContact O-CB 3.43Å; R378-E382 VanDerWaalsContact O-CG 3.32Å; R378-E382 WeakPolarHBondContact O-CG 3.37Å; R378-E382 PolarHBondContact O-N 3.32Å; E382-Y385 PolarHBondContact O-N 3.44Å; E382-Q386 VanDerWaalsContact O-CG 3.31Å; E382-Q386 WeakPolarHBondContact O-CG 3.3Å; E382-Q386 PolarHBondContact O-N 3.19Å; E382-Q386 VanDerWaalsContact O-N 3.13Å |
| 383 | L | 84.5 | Confident | 84.6 | Confident | 105 Ų | 105 | 77.9 Ų | 77.9 | 55% | 0.55 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.9 | -40.3 | 176.3 | -70 | 171.2 | 0 | 0 | 0 | 112 | R379 D381 Q386 M387 | R379-L383 VanDerWaalsContact O-CG 3.27Å; R379-L383 WeakPolarHBondContact O-CG 3.4Å; R379-L383 PolarHBondContact O-N 2.97Å; R379-L383 VanDerWaalsContact O-N 3.07Å; D381-L383 PolarHBondContact O-N 3.41Å; L383-Q386 PolarHBondContact O-N 2.63Å; L383-M387 WeakPolarHBondContact O-CG 3.2Å; L383-M387 PolarHBondContact O-N 3.48Å |
| 384 | L | 83.8 | Confident | 84.4 | Confident | 54 Ų | 54 | 76.6 Ų | 76.6 | 28% | 0.283 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.5 | -45.5 | 177.8 | 178.7 | 62.9 | 0 | 0 | 0 | 111.6 | T380 D381 Q386 M387 I388 A393 | T380-L384 VanDerWaalsContact O-CB 3.32Å; T380-L384 WeakPolarHBondContact O-CB 3.27Å; T380-L384 PolarHBondContact O-N 2.98Å; D381-L384 PolarHBondContact O-N 2.92Å; L384-Q386 PolarHBondContact O-N 3.42Å; L384-M387 PolarHBondContact O-N 3.01Å; L384-I388 HydrophobicContact CD1-CD1 4.45Å; L384-I388 PolarHBondContact O-N 3.19Å; L384-A393 HydrophobicContact CD2-CB 4.32Å; L384-A393 HydrophobicContact CG-CB 4.29Å |
| 385 | Y | 84.7 | Confident | 84.3 | Confident | 48 Ų | 48 | 75.1 Ų | 75.1 | 19% | 0.188 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -72.3 | -16.1 | -179.2 | -60.1 | -39 | 0 | 0 | 0 | 113.6 | D381 E382 I388 R390 A393 | D381-Y385 HydrophobicContact CB-CD2 4.3Å; D381-Y385 HydrophobicContact CB-CE2 3.78Å; D381-Y385 WeakPolarHBondContact O-CB 3.3Å; D381-Y385 WeakPolarHBondContact O-CD2 3.32Å; D381-Y385 PolarHBondContact O-N 3.21Å; E382-Y385 PolarHBondContact O-N 3.44Å; Y385-I388 WeakPolarHBondContact CA-O 3.41Å; Y385-R390 HydrophobicContact CD1-CB 4.27Å; Y385-R390 HydrophobicContact CD1-CG 3.65Å; Y385-R390 HydrophobicContact CD2-CG 4.3Å; Y385-R390 HydrophobicContact CE1-CB 4.49Å; Y385-R390 HydrophobicContact CE1-CG 4.18Å; Y385-R390 HydrophobicContact CG-CG 3.74Å; Y385-A393 HydrophobicContact CD1-CB 3.97Å; Y385-A393 HydrophobicContact CE1-CB 3.9Å |
| 386 | Q | 80.8 | Confident | 84.1 | Confident | 154 Ų | 154 | 73.4 Ų | 73.4 | 72% | 0.72 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -75.2 | -28.7 | 167.4 | -74.3 | 172.9 | -3.2 | 0 | 0 | 112.3 | E382 L383 L384 | E382-Q386 VanDerWaalsContact O-CG 3.31Å; E382-Q386 WeakPolarHBondContact O-CG 3.3Å; E382-Q386 PolarHBondContact O-N 3.19Å; E382-Q386 VanDerWaalsContact O-N 3.13Å; L383-Q386 PolarHBondContact O-N 2.63Å; L384-Q386 PolarHBondContact O-N 3.42Å |
| 387 | M | 81.5 | Confident | 83.9 | Confident | 136 Ų | 136 | 74 Ų | 74 | 67% | 0.67 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -89.6 | -34.3 | -178 | -65 | -178 | 73.2 | 0 | 0 | 113.2 | L383 L384 | L383-M387 WeakPolarHBondContact O-CG 3.2Å; L383-M387 PolarHBondContact O-N 3.48Å; L384-M387 PolarHBondContact O-N 3.01Å |
| 388 | I | 85.4 | Confident | 83.7 | Confident | 6 Ų | 6 | 73.3 Ų | 73.3 | 3% | 0.031 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -137.6 | 142.5 | -172.7 | -57.4 | 177.4 | 0 | 0 | 0 | 108.8 | L384 Y385 R390 V392 A393 L396 V517 P523 | L384-I388 HydrophobicContact CD1-CD1 4.45Å; L384-I388 PolarHBondContact O-N 3.19Å; Y385-I388 WeakPolarHBondContact CA-O 3.41Å; I388-R390 PolarHBondContact O-N 3.28Å; I388-V392 HydrophobicContact CG2-CB 4.11Å; I388-V392 HydrophobicContact CG2-CG1 4.33Å; I388-A393 HydrophobicContact CB-CB 4.43Å; I388-A393 HydrophobicContact CG2-CB 4.24Å; I388-L396 HydrophobicContact CD1-CD1 4.37Å; I388-V517 HydrophobicContact CG2-CG2 4.11Å; I388-P523 HydrophobicContact CD1-CB 3.84Å; I388-P523 HydrophobicContact CD1-CG 3.78Å |
| 389 | P | 84.8 | Confident | 83.6 | Confident | 11 Ų | 11 | 69.1 Ų | 69.1 | 7% | 0.071 | 35% | 0.354 | C | S | . | . | trans | -56.9 | 140.4 | 175.4 | -17.4 | 26 | 0 | 0 | 0 | 112.7 | S391 V392 A393 Y455 P471 Y525 | P389-S391 VanDerWaalsContact C-N 3.33Å; P389-S391 PolarHBondContact O-N 3.01Å; P389-V392 HydrophobicContact CB-CG2 4.34Å; P389-V392 HydrophobicContact CG-CG2 4.43Å; P389-V392 PolarHBondContact O-N 3.02Å; P389-A393 WeakPolarHBondContact O-CB 3.19Å; P389-A393 PolarHBondContact O-N 3.36Å; P389-Y455 HydrophobicContact CB-CE2 4.33Å; P389-Y455 WeakPolarHBondContact CD-OH 3.28Å; P389-Y455 HydrophobicContact CG-CD2 4.17Å; P389-Y455 HydrophobicContact CG-CE1 4.44Å; P389-Y455 HydrophobicContact CG-CE2 3.51Å; P389-P471 HydrophobicContact CB-CB 4.28Å; P389-P471 HydrophobicContact CB-CG 3.64Å; P389-P471 HydrophobicContact CG-CB 4.37Å; P389-P471 HydrophobicContact CG-CG 3.84Å; P389-Y525 HydrophobicContact CG-CD1 4.18Å; P389-Y525 HydrophobicContact CG-CD2 4.01Å; P389-Y525 HydrophobicContact CG-CE1 4.47Å; P389-Y525 HydrophobicContact CG-CE2 4.35Å; P389-Y525 HydrophobicContact CG-CG 3.91Å | ||
| 390 | R | 84.5 | Confident | 83.5 | Confident | 95 Ų | 95 | 65.6 Ų | 65.6 | 36% | 0.358 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -50.3 | -49.5 | -179.4 | -69.1 | 174.9 | -179.3 | -98.6 | -1.2 | 113 | Y385 I388 V392 A393 E394 | Y385-R390 HydrophobicContact CD1-CB 4.27Å; Y385-R390 HydrophobicContact CD1-CG 3.65Å; Y385-R390 HydrophobicContact CD2-CG 4.3Å; Y385-R390 HydrophobicContact CE1-CB 4.49Å; Y385-R390 HydrophobicContact CE1-CG 4.18Å; Y385-R390 HydrophobicContact CG-CG 3.74Å; I388-R390 PolarHBondContact O-N 3.28Å; R390-V392 PolarHBondContact O-N 3.37Å; R390-V392 VanDerWaalsContact O-N 3.13Å; R390-A393 PolarHBondContact O-N 3.44Å; R390-E394 WeakPolarHBondContact O-CB 3.38Å; R390-E394 WeakPolarHBondContact O-CG 3.42Å; R390-E394 PolarHBondContact O-N 3.35Å |
| 391 | S | 82.6 | Confident | 83.3 | Confident | 47 Ų | 47 | 64.7 Ų | 64.7 | 33% | 0.329 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -57.9 | -29.3 | -179.9 | 57.1 | 0 | 0 | 0 | 0 | 113.6 | P389 R395 | P389-S391 VanDerWaalsContact C-N 3.33Å; P389-S391 PolarHBondContact O-N 3.01Å; S391-R395 WeakPolarHBondContact O-CG 3.39Å; S391-R395 PolarHBondContact O-NE 3.17Å |
| 392 | V | 83.9 | Confident | 82.9 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -92 | -38.2 | 178.7 | -172.8 | 0 | 0 | 0 | 0 | 111.2 | I388 P389 R390 E394 R395 L396 T405 V517 Y525 | I388-V392 HydrophobicContact CG2-CB 4.11Å; I388-V392 HydrophobicContact CG2-CG1 4.33Å; P389-V392 HydrophobicContact CB-CG2 4.34Å; P389-V392 HydrophobicContact CG-CG2 4.43Å; P389-V392 PolarHBondContact O-N 3.02Å; R390-V392 PolarHBondContact O-N 3.37Å; R390-V392 VanDerWaalsContact O-N 3.13Å; V392-E394 VanDerWaalsContact C-N 3.32Å; V392-E394 PolarHBondContact O-N 2.94Å; V392-R395 PolarHBondContact O-N 3.3Å; V392-L396 HydrophobicContact CG1-CD1 4.33Å; V392-L396 HydrophobicContact CG1-CG 4.48Å; V392-L396 WeakPolarHBondContact O-CG 3.37Å; V392-L396 PolarHBondContact O-N 3.47Å; V392-T405 HydrophobicContact CG1-CG2 3.95Å; V392-V517 HydrophobicContact CB-CG2 4.48Å; V392-V517 HydrophobicContact CG1-CB 4.38Å; V392-V517 HydrophobicContact CG1-CG2 3.43Å; V392-V517 VanDerWaalsContact CG1-CG2 3.43Å; V392-Y525 HydrophobicContact CG2-CD2 4.06Å; V392-Y525 HydrophobicContact CG2-CE2 3.76Å |
| 393 | A | 84.3 | Confident | 82.5 | Confident | 4 Ų | 4 | 66 Ų | 66 | 3% | 0.033 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.1 | -39.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L384 Y385 I388 P389 R390 L396 R397 | L384-A393 HydrophobicContact CD2-CB 4.32Å; L384-A393 HydrophobicContact CG-CB 4.29Å; Y385-A393 HydrophobicContact CD1-CB 3.97Å; Y385-A393 HydrophobicContact CE1-CB 3.9Å; I388-A393 HydrophobicContact CB-CB 4.43Å; I388-A393 HydrophobicContact CG2-CB 4.24Å; P389-A393 WeakPolarHBondContact O-CB 3.19Å; P389-A393 PolarHBondContact O-N 3.36Å; R390-A393 PolarHBondContact O-N 3.44Å; A393-L396 PolarHBondContact O-N 3.02Å; A393-R397 VanDerWaalsContact O-CB 3.29Å; A393-R397 WeakPolarHBondContact O-CB 3.19Å; A393-R397 PolarHBondContact O-N 3.41Å |
| 394 | E | 85.1 | Confident | 82.4 | Confident | 68 Ų | 68 | 66.1 Ų | 66.1 | 32% | 0.318 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.7 | -42.4 | 175.7 | -73.2 | 173.2 | -166 | 0 | 0 | 112 | R390 V392 R397 A398 S617 | R390-E394 WeakPolarHBondContact O-CB 3.38Å; R390-E394 WeakPolarHBondContact O-CG 3.42Å; R390-E394 PolarHBondContact O-N 3.35Å; V392-E394 VanDerWaalsContact C-N 3.32Å; V392-E394 PolarHBondContact O-N 2.94Å; E394-R397 PolarHBondContact O-N 3.32Å; E394-A398 PolarHBondContact O-N 2.61Å; E394-S617 WeakPolarHBondContact OE1-CB 3.4Å; E394-S617 PolarHBondContact OE1-OG 3.06Å |
| 395 | R | 83.8 | Confident | 82.2 | Confident | 53 Ų | 53 | 63.6 Ų | 63.6 | 20% | 0.2 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.6 | -46 | 174.2 | -73.2 | -168.6 | -71.1 | 160.3 | -9.2 | 112.2 | S391 V392 R397 A398 G399 E400 T405 E407 | S391-R395 WeakPolarHBondContact O-CG 3.39Å; S391-R395 PolarHBondContact O-NE 3.17Å; V392-R395 PolarHBondContact O-N 3.3Å; R395-R397 VanDerWaalsContact C-N 3.32Å; R395-R397 PolarHBondContact O-N 3.02Å; R395-A398 WeakPolarHBondContact O-CB 3.49Å; R395-A398 PolarHBondContact O-N 3Å; R395-G399 PolarHBondContact O-N 3.4Å; R395-E400 HydrophobicContact CB-CB 4.49Å; R395-E400 WeakPolarHBondContact CD-OE2 3.49Å; R395-E400 WeakPolarHBondContact O-CB 3.47Å; R395-E400 PolarHBondContact O-N 3.36Å; R395-T405 HydrophobicContact CB-CG2 4.49Å; R395-T405 PolarHBondContact NH2-O 3.44Å; R395-T405 VanDerWaalsContact NH2-O 3.14Å; R395-E407 IonicContact CZ-OE1 3.74Å; R395-E407 VanDerWaalsContact CZ-OE1 3.3Å; R395-E407 IonicContact NH1-OE1 2.66Å; R395-E407 PolarHBondContact NH1-OE1 3.31Å; R395-E407 IonicContact NH2-OE1 3.91Å; R395-E407 PolarHBondContact NH2-OE1 3.08Å |
| 396 | L | 83.1 | Confident | 82.1 | Confident | 47 Ų | 47 | 64.1 Ų | 64.1 | 25% | 0.246 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62 | -39.6 | 174.6 | -69.5 | 174 | 0 | 0 | 0 | 111.9 | I388 V392 A393 A398 G399 A402 T405 V517 | I388-L396 HydrophobicContact CD1-CD1 4.37Å; V392-L396 HydrophobicContact CG1-CD1 4.33Å; V392-L396 HydrophobicContact CG1-CG 4.48Å; V392-L396 WeakPolarHBondContact O-CG 3.37Å; V392-L396 PolarHBondContact O-N 3.47Å; A393-L396 PolarHBondContact O-N 3.02Å; L396-A398 VanDerWaalsContact C-N 3.32Å; L396-A398 PolarHBondContact O-N 3.39Å; L396-G399 PolarHBondContact O-N 3.44Å; L396-G399 VanDerWaalsContact O-N 3.11Å; L396-A402 HydrophobicContact CD2-CB 4.34Å; L396-T405 HydrophobicContact CD2-CG2 3.7Å; L396-T405 HydrophobicContact CG-CG2 4.03Å; L396-V517 HydrophobicContact CD1-CB 4.42Å; L396-V517 HydrophobicContact CD1-CG1 4.15Å; L396-V517 HydrophobicContact CD1-CG2 4.2Å |
| 397 | R | 81.8 | Confident | 82.2 | Confident | 135 Ų | 135 | 59.8 Ų | 59.8 | 51% | 0.509 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -66.9 | -31.7 | 176.1 | 178.6 | 174.5 | -84.8 | -160.3 | -4.8 | 112.3 | D381 A393 E394 R395 G399 | D381-R397 IonicContact OD1-CZ 2.73Å; D381-R397 IonicContact OD1-NH1 3.84Å; D381-R397 PolarHBondContact OD1-NH1 3.4Å; D381-R397 IonicContact OD1-NH2 3.68Å; D381-R397 PolarHBondContact OD1-NH2 3.5Å; D381-R397 IonicContact OD2-NH1 2.76Å; D381-R397 PolarHBondContact OD2-NH1 3.48Å; A393-R397 VanDerWaalsContact O-CB 3.29Å; A393-R397 WeakPolarHBondContact O-CB 3.19Å; A393-R397 PolarHBondContact O-N 3.41Å; E394-R397 PolarHBondContact O-N 3.32Å; R395-R397 VanDerWaalsContact C-N 3.32Å; R395-R397 PolarHBondContact O-N 3.02Å; R397-G399 PolarHBondContact O-N 3.49Å |
| 398 | A | 83.7 | Confident | 82.3 | Confident | 82 Ų | 82 | 57.7 Ų | 57.7 | 68% | 0.678 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -8.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | E394 R395 L396 | E394-A398 PolarHBondContact O-N 2.61Å; R395-A398 WeakPolarHBondContact O-CB 3.49Å; R395-A398 PolarHBondContact O-N 3Å; L396-A398 VanDerWaalsContact C-N 3.32Å; L396-A398 PolarHBondContact O-N 3.39Å |
| 399 | G | 81.2 | Confident | 82.4 | Confident | 65 Ų | 65 | 57.8 Ų | 57.8 | 67% | 0.67 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.3 | 12.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | R395 L396 R397 | R395-G399 PolarHBondContact O-N 3.4Å; L396-G399 PolarHBondContact O-N 3.44Å; L396-G399 VanDerWaalsContact O-N 3.11Å; R397-G399 PolarHBondContact O-N 3.49Å |
| 400 | E | 82.3 | Confident | 82.2 | Confident | 84 Ų | 84 | 62.5 Ų | 62.5 | 39% | 0.393 | 36% | 0.359 | S | S | . | . | trans | -65 | 143.1 | 171.8 | -65.9 | 180 | -151.1 | 0 | 0 | 110.8 | R395 | R395-E400 HydrophobicContact CB-CB 4.49Å; R395-E400 WeakPolarHBondContact CD-OE2 3.49Å; R395-E400 WeakPolarHBondContact O-CB 3.47Å; R395-E400 PolarHBondContact O-N 3.36Å | ||
| 401 | A | 79.6 | Confident | 82.2 | Confident | 52 Ų | 52 | 61.7 Ų | 61.7 | 43% | 0.43 | 36% | 0.361 | S | S | . | . | trans | -69.9 | 145.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | V403 D404 T405 | A401-V403 PolarHBondContact O-N 2.82Å; A401-V403 VanDerWaalsContact O-N 3.09Å; A401-D404 WeakPolarHBondContact O-CB 3.48Å; A401-D404 PolarHBondContact O-N 3.44Å; A401-T405 PolarHBondContact O-N 3.43Å | ||
| 402 | A | 75.6 | Confident | 82.4 | Confident | 24 Ų | 24 | 59.4 Ų | 59.4 | 20% | 0.198 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -55.1 | -34 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L396 D404 T405 | L396-A402 HydrophobicContact CD2-CB 4.34Å; A402-D404 VanDerWaalsContact C-N 3.29Å; A402-D404 PolarHBondContact O-N 2.96Å; A402-T405 WeakPolarHBondContact O-CB 3.41Å; A402-T405 PolarHBondContact O-N 3.39Å; A402-T405 PolarHBondContact O-OG1 2.86Å |
| 403 | V | 76.5 | Confident | 82.5 | Confident | 116 Ų | 116 | 59.4 Ų | 59.4 | 70% | 0.703 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -63.6 | -35.3 | 177.6 | -176.9 | 0 | 0 | 0 | 0 | 112 | A401 T405 C406 | A401-V403 PolarHBondContact O-N 2.82Å; A401-V403 VanDerWaalsContact O-N 3.09Å; V403-T405 PolarHBondContact O-N 2.97Å; V403-C406 WeakPolarHBondContact O-CB 3.46Å; V403-C406 PolarHBondContact O-N 3.5Å |
| 404 | D | 80.6 | Confident | 82.7 | Confident | 108 Ų | 108 | 59.2 Ų | 59.2 | 58% | 0.578 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | -76.5 | -15.4 | -179 | -57.5 | -29.8 | 0 | 0 | 0 | 111.8 | A401 A402 C406 | A401-D404 WeakPolarHBondContact O-CB 3.48Å; A401-D404 PolarHBondContact O-N 3.44Å; A402-D404 VanDerWaalsContact C-N 3.29Å; A402-D404 PolarHBondContact O-N 2.96Å; D404-C406 VanDerWaalsContact C-N 3.26Å; D404-C406 PolarHBondContact O-N 3.1Å |
| 405 | T | 79.8 | Confident | 82.8 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -75.3 | -16.8 | 174.3 | 72.9 | 0 | 0 | 0 | 0 | 113.8 | V392 R395 L396 A401 A402 V403 E407 V517 | V392-T405 HydrophobicContact CG1-CG2 3.95Å; R395-T405 HydrophobicContact CB-CG2 4.49Å; R395-T405 PolarHBondContact NH2-O 3.44Å; R395-T405 VanDerWaalsContact NH2-O 3.14Å; L396-T405 HydrophobicContact CD2-CG2 3.7Å; L396-T405 HydrophobicContact CG-CG2 4.03Å; A401-T405 PolarHBondContact O-N 3.43Å; A402-T405 WeakPolarHBondContact O-CB 3.41Å; A402-T405 PolarHBondContact O-N 3.39Å; A402-T405 PolarHBondContact O-OG1 2.86Å; V403-T405 PolarHBondContact O-N 2.97Å; T405-E407 PolarHBondContact O-N 3.13Å; T405-V517 PolarHBondContact OG1-N 3.41Å |
| 406 | C | 82.9 | Confident | 82.8 | Confident | 59 Ų | 59 | 53.7 Ų | 53.7 | 40% | 0.399 | 32% | 0.32 | S | S | . | . | trans | -69.2 | 125.6 | -178.8 | -67 | 0 | 0 | 0 | 0 | 111.2 | V403 D404 | V403-C406 WeakPolarHBondContact O-CB 3.46Å; V403-C406 PolarHBondContact O-N 3.5Å; D404-C406 VanDerWaalsContact C-N 3.26Å; D404-C406 PolarHBondContact O-N 3.1Å | ||
| 407 | E | 83.7 | Confident | 82.7 | Confident | 64 Ų | 64 | 51.5 Ų | 51.5 | 30% | 0.299 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 144 | 179.3 | -75.2 | -178.7 | -139.3 | 0 | 0 | 111.1 | R395 T405 F409 R473 A515 | R395-E407 IonicContact CZ-OE1 3.74Å; R395-E407 VanDerWaalsContact CZ-OE1 3.3Å; R395-E407 IonicContact NH1-OE1 2.66Å; R395-E407 PolarHBondContact NH1-OE1 3.31Å; R395-E407 IonicContact NH2-OE1 3.91Å; R395-E407 PolarHBondContact NH2-OE1 3.08Å; T405-E407 PolarHBondContact O-N 3.13Å; E407-F409 HydrophobicContact CB-CD2 4.28Å; E407-F409 HydrophobicContact CB-CE2 3.55Å; E407-F409 HydrophobicContact CB-CZ 3.87Å; E407-F409 WeakPolarHBondContact O-CD2 3.4Å; E407-R473 IonicContact OE2-NH2 3.33Å; E407-R473 PolarHBondContact OE2-NH2 2.73Å; E407-A515 PolarHBondContact N-O 3.35Å; E407-A515 PolarHBondContact O-N 2.74Å; E407-A515 VanDerWaalsContact O-O 3.12Å |
| 408 | T | 83.8 | Confident | 82.5 | Confident | 92 Ų | 92 | 46.4 Ų | 46.4 | 56% | 0.564 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88 | 126.1 | 171.4 | 55.4 | 0 | 0 | 0 | 0 | 109.3 | R473 V514 | T408-R473 PolarHBondContact O-NH1 3.46Å; T408-R473 PolarHBondContact O-NH2 3.47Å; T408-V514 HydrophobicContact CG2-CG1 4.39Å; T408-V514 HydrophobicContact CG2-CG2 4.01Å |
| 409 | F | 86.1 | Confident | 81.9 | Confident | 7 Ų | 7 | 42.9 Ų | 42.9 | 3% | 0.031 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 117.1 | 176.6 | -63.9 | -93.5 | 0 | 0 | 0 | 109.1 | E407 N411 V412 G469 C470 P471 R473 A513 A515 | E407-F409 HydrophobicContact CB-CD2 4.28Å; E407-F409 HydrophobicContact CB-CE2 3.55Å; E407-F409 HydrophobicContact CB-CZ 3.87Å; E407-F409 WeakPolarHBondContact O-CD2 3.4Å; F409-N411 PolarHBondContact O-N 3.02Å; F409-V412 HydrophobicContact CB-CG2 3.31Å; F409-V412 HydrophobicContact CG-CG2 4.18Å; F409-G469 WeakPolarHBondContact CD1-O 3.42Å; F409-C470 HydrophobicContact CB-CB 4.5Å; F409-C470 HydrophobicContact CD1-CB 3.76Å; F409-C470 HydrophobicContact CD2-CB 3.82Å; F409-C470 HydrophobicContact CE1-CB 3.84Å; F409-C470 HydrophobicContact CE2-CB 3.9Å; F409-C470 HydrophobicContact CG-CB 3.76Å; F409-C470 HydrophobicContact CZ-CB 3.91Å; F409-P471 VanDerWaalsContact CE1-O 3.29Å; F409-P471 WeakPolarHBondContact CE1-O 3.4Å; F409-R473 HydrophobicContact CD1-CG 3.8Å; F409-R473 HydrophobicContact CE1-CG 3.78Å; F409-A513 WeakPolarHBondContact CA-O 3.49Å; F409-A513 WeakPolarHBondContact CB-O 3.29Å; F409-A513 PolarHBondContact N-O 3.22Å; F409-A513 PolarHBondContact O-N 2.99Å; F409-A513 VanDerWaalsContact O-O 3.05Å; F409-A515 HydrophobicContact CD2-CB 3.82Å; F409-A515 HydrophobicContact CE2-CB 3.73Å |
| 410 | D | 82 | Confident | 81.2 | Confident | 111 Ų | 111 | 42.5 Ų | 42.5 | 59% | 0.594 | 25% | 0.246 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -68.9 | -36.2 | -173.7 | -58.7 | -52.8 | 0 | 0 | 0 | 112.2 | P512 | D410-P512 VanDerWaalsContact O-CA 3.28Å; D410-P512 WeakPolarHBondContact O-CA 3.36Å; D410-P512 WeakPolarHBondContact O-CB 3.45Å |
| 411 | N | 83.6 | Confident | 80.5 | Confident | 77 Ų | 77 | 40.1 Ų | 40.1 | 41% | 0.412 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 103.7 | -179.7 | -62.2 | -48.7 | 0 | 0 | 0 | 110.7 | F409 H477 | F409-N411 PolarHBondContact O-N 3.02Å; N411-H477 VanDerWaalsContact CB-NE2 3.34Å; N411-H477 WeakPolarHBondContact CB-NE2 3.17Å |
| 412 | V | 86.7 | Confident | 80 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 141.6 | 174.1 | 178.8 | 0 | 0 | 0 | 0 | 109.2 | F409 L414 A467 S468 C470 V510 G511 A513 L527 | F409-V412 HydrophobicContact CB-CG2 3.31Å; F409-V412 HydrophobicContact CG-CG2 4.18Å; V412-L414 HydrophobicContact CG1-CD2 4.03Å; V412-L414 HydrophobicContact CG1-CG 4.38Å; V412-A467 HydrophobicContact CG1-CB 4.26Å; V412-S468 CarbonylContact C-O 3.57Å; V412-S468 WeakPolarHBondContact CA-O 3.36Å; V412-S468 WeakPolarHBondContact CG1-O 3.37Å; V412-C470 HydrophobicContact CG2-CB 4.19Å; V412-V510 CarbonylContact O-C 3.59Å; V412-V510 WeakPolarHBondContact O-CA 3.49Å; V412-G511 CarbonylContact C-O 3.44Å; V412-G511 WeakPolarHBondContact CA-O 3.16Å; V412-G511 PolarHBondContact N-O 2.86Å; V412-G511 PolarHBondContact O-N 2.82Å; V412-A513 HydrophobicContact CB-CB 4.03Å; V412-A513 HydrophobicContact CG1-CB 4.3Å; V412-A513 HydrophobicContact CG2-CB 4.06Å; V412-L527 HydrophobicContact CG1-CD2 3.93Å |
| 413 | T | 86.9 | Confident | 79.7 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 125.7 | 171.7 | -46.3 | 0 | 0 | 0 | 0 | 109 | A467 S468 H477 A478 I481 I508 R509 V510 | T413-A467 CarbonylContact O-C 3.58Å; T413-A467 VanDerWaalsContact O-CA 3.31Å; T413-A467 WeakPolarHBondContact O-CA 3.42Å; T413-S468 PolarHBondContact N-O 3.4Å; T413-S468 PolarHBondContact O-N 3Å; T413-H477 WeakPolarHBondContact CB-O 3.44Å; T413-H477 VanDerWaalsContact OG1-C 3.22Å; T413-H477 PolarHBondContact OG1-ND1 3.45Å; T413-H477 PolarHBondContact OG1-O 3.18Å; T413-A478 WeakPolarHBondContact OG1-CA 3.27Å; T413-A478 PolarHBondContact OG1-N 2.85Å; T413-I481 HydrophobicContact CG2-CB 3.52Å; T413-I481 HydrophobicContact CG2-CG1 3.65Å; T413-I481 HydrophobicContact CG2-CG2 3.69Å; T413-I508 HydrophobicContact CG2-CG2 3.89Å; T413-R509 CarbonylContact C-O 3.59Å; T413-R509 VanDerWaalsContact CA-O 3.26Å; T413-R509 WeakPolarHBondContact CA-O 3.02Å; T413-R509 WeakPolarHBondContact CG2-O 3.32Å; T413-V510 HydrophobicContact CG2-CG2 3.52Å; T413-V510 WeakPolarHBondContact OG1-CG2 3.31Å |
| 414 | L | 88.4 | Confident | 79.6 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 136 | 176 | -64.8 | -175.1 | 0 | 0 | 0 | 110.4 | V412 L416 I466 A467 R509 L527 T531 V532 | V412-L414 HydrophobicContact CG1-CD2 4.03Å; V412-L414 HydrophobicContact CG1-CG 4.38Å; L414-L416 HydrophobicContact CB-CD1 4.08Å; L414-I466 CarbonylContact C-O 3.58Å; L414-I466 VanDerWaalsContact CA-O 3.29Å; L414-I466 WeakPolarHBondContact CA-O 3.27Å; L414-A467 HydrophobicContact CD2-CB 3.47Å; L414-A467 VanDerWaalsContact CD2-CB 3.47Å; L414-R509 PolarHBondContact N-O 3.01Å; L414-R509 PolarHBondContact O-N 2.99Å; L414-R509 VanDerWaalsContact O-O 3.07Å; L414-L527 HydrophobicContact CD2-CD2 3.87Å; L414-T531 HydrophobicContact CD1-CG2 3.92Å; L414-T531 HydrophobicContact CG-CG2 4.13Å; L414-V532 HydrophobicContact CD1-CG2 3.86Å |
| 415 | L | 86.9 | Confident | 79.1 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 130.9 | 164.8 | -177.4 | 148.1 | 0 | 0 | 0 | 108.3 | M465 I466 I481 A485 M488 L506 R507 I508 | L415-M465 CarbonylContact O-C 3.24Å; L415-M465 VanDerWaalsContact O-CA 3.32Å; L415-M465 WeakPolarHBondContact O-CA 3.48Å; L415-I466 HydrophobicContact CB-CB 4.35Å; L415-I466 HydrophobicContact CD2-CD1 3.99Å; L415-I466 HydrophobicContact CD2-CG1 4.37Å; L415-I466 PolarHBondContact N-O 2.88Å; L415-I466 PolarHBondContact O-N 3.13Å; L415-I481 HydrophobicContact CB-CD1 4.15Å; L415-I481 HydrophobicContact CB-CG2 3.68Å; L415-I481 HydrophobicContact CD1-CG2 4.02Å; L415-I481 HydrophobicContact CG-CG2 4.44Å; L415-A485 HydrophobicContact CD1-CB 3.44Å; L415-A485 VanDerWaalsContact CD1-CB 3.44Å; L415-M488 HydrophobicContact CD1-SD 3.99Å; L415-M488 HydrophobicContact CD2-CE 3.95Å; L415-M488 HydrophobicContact CD2-SD 3.59Å; L415-M488 VanDerWaalsContact CD2-SD 3.59Å; L415-M488 HydrophobicContact CG-SD 4.48Å; L415-L506 HydrophobicContact CD2-CD2 4.42Å; L415-R507 VanDerWaalsContact CA-O 3.3Å; L415-R507 WeakPolarHBondContact CA-O 3.22Å; L415-R507 WeakPolarHBondContact CG-O 3.35Å; L415-I508 HydrophobicContact CD1-CG1 4.11Å |
| 416 | L | 84.7 | Confident | 78.6 | Confident | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.021 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 121.3 | 169.3 | -77.1 | 68 | 0 | 0 | 0 | 107.5 | L414 Y464 M465 R507 S535 E536 E539 | L414-L416 HydrophobicContact CB-CD1 4.08Å; L416-Y464 WeakPolarHBondContact CA-O 3.48Å; L416-M465 HydrophobicContact CD1-CE 3.9Å; L416-M465 HydrophobicContact CD1-CG 3.92Å; L416-M465 HydrophobicContact CD1-SD 4.48Å; L416-M465 HydrophobicContact CD2-CE 3.8Å; L416-M465 HydrophobicContact CG-CB 4.38Å; L416-M465 HydrophobicContact CG-CE 3.85Å; L416-M465 HydrophobicContact CG-CG 4.22Å; L416-R507 PolarHBondContact N-O 3.17Å; L416-R507 PolarHBondContact O-N 3.02Å; L416-R507 VanDerWaalsContact O-N 3.12Å; L416-S535 VanDerWaalsContact CD1-CB 3.49Å; L416-E536 HydrophobicContact CD2-CG 4.16Å; L416-E539 HydrophobicContact CB-CB 4.17Å; L416-E539 HydrophobicContact CB-CG 4.23Å; L416-E539 HydrophobicContact CD2-CB 4.11Å; L416-E539 HydrophobicContact CD2-CG 4.39Å |
| 417 | S | 79.2 | Confident | 78.3 | Confident | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.007 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 139.4 | 166.3 | -161.6 | 0 | 0 | 0 | 0 | 109 | A463 Y464 E504 L506 | S417-A463 CarbonylContact O-C 3.29Å; S417-A463 VanDerWaalsContact O-CA 3.26Å; S417-A463 WeakPolarHBondContact O-CA 3.41Å; S417-Y464 PolarHBondContact N-O 3.41Å; S417-Y464 PolarHBondContact O-N 3.09Å; S417-E504 PolarHBondContact OG-OE1 3.49Å; S417-L506 WeakPolarHBondContact OG-CD2 3.37Å; S417-L506 WeakPolarHBondContact OG-CG 3.41Å |
| 418 | D | 77.4 | Confident | 77.9 | Confident | 29 Ų | 29 | 44.5 Ų | 44.5 | 16% | 0.155 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 142.8 | 173 | -178.8 | 43.4 | 0 | 0 | 0 | 110.6 | V420 D462 S505 E539 | D418-V420 PolarHBondContact O-N 2.88Å; D418-D462 VanDerWaalsContact OD1-OD2 3.12Å; D418-S505 PolarHBondContact N-O 2.58Å; D418-S505 VanDerWaalsContact N-O 3.15Å; D418-S505 PolarHBondContact O-N 3.2Å; D418-S505 VanDerWaalsContact O-N 3.15Å; D418-S505 PolarHBondContact O-OG 2.87Å; D418-E539 HydrophobicContact CB-CG 3.95Å; D418-E539 WeakPolarHBondContact CB-OE1 3.21Å |
| 419 | V | 71.7 | Confident | 77.5 | Confident | 7 Ų | 7 | 43.1 Ų | 43.1 | 4% | 0.042 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 102.9 | -179.7 | 178.8 | 0 | 0 | 0 | 0 | 108.7 | G421 F422 I425 L441 P503 | V419-G421 PolarHBondContact O-N 3.36Å; V419-F422 HydrophobicContact CB-CB 3.91Å; V419-F422 HydrophobicContact CB-CD2 4.18Å; V419-F422 HydrophobicContact CB-CG 4.41Å; V419-F422 HydrophobicContact CG1-CB 3.91Å; V419-F422 HydrophobicContact CG1-CD2 4.01Å; V419-F422 HydrophobicContact CG1-CG 4.45Å; V419-F422 VanDerWaalsContact O-CB 3.28Å; V419-F422 WeakPolarHBondContact O-CB 3.29Å; V419-F422 PolarHBondContact O-N 2.95Å; V419-I425 HydrophobicContact CG1-CD1 4.43Å; V419-L441 HydrophobicContact CG2-CD1 4.33Å; V419-P503 CarbonylContact C-O 3.11Å; V419-P503 VanDerWaalsContact C-O 3.24Å; V419-P503 WeakPolarHBondContact CA-O 3.38Å; V419-P503 HydrophobicContact CG1-CB 3.95Å; V419-P503 HydrophobicContact CG1-CG 3.81Å; V419-P503 WeakPolarHBondContact CG1-O 3.39Å |
| 420 | V | 67.7 | Low | 77.3 | Confident | 57 Ų | 57 | 45.1 Ų | 45.1 | 35% | 0.345 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | 110.2 | 178.6 | -176.4 | 0 | 0 | 0 | 0 | 111.3 | D418 F422 P503 P544 | D418-V420 PolarHBondContact O-N 2.88Å; V420-F422 VanDerWaalsContact C-N 3.34Å; V420-P503 HydrophobicContact CB-CB 4.48Å; V420-P503 PolarHBondContact N-O 3.22Å; V420-P503 WeakPolarHBondContact O-CB 3.49Å; V420-P544 HydrophobicContact CG1-CG 4.5Å; V420-P544 HydrophobicContact CG2-CB 4.42Å; V420-P544 HydrophobicContact CG2-CG 4.35Å |
| 421 | G | 67.6 | Low | 77.3 | Confident | 34 Ų | 34 | 45.1 Ų | 45.1 | 35% | 0.351 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76 | 21.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | V419 T423 T424 I425 | V419-G421 PolarHBondContact O-N 3.36Å; G421-T423 PolarHBondContact O-N 2.92Å; G421-T424 WeakPolarHBondContact O-CA 3.33Å; G421-T424 VanDerWaalsContact O-CB 3.3Å; G421-T424 WeakPolarHBondContact O-CB 3.41Å; G421-T424 PolarHBondContact O-N 3.47Å; G421-I425 PolarHBondContact O-N 2.66Å |
| 422 | F | 67.9 | Low | 77.3 | Confident | 32 Ų | 32 | 48.7 Ų | 48.7 | 14% | 0.14 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -49.3 | -42.2 | 173 | -177.9 | -106.4 | 0 | 0 | 0 | 112.8 | V419 V420 T424 I425 C426 V434 L438 D462 | V419-F422 HydrophobicContact CB-CB 3.91Å; V419-F422 HydrophobicContact CB-CD2 4.18Å; V419-F422 HydrophobicContact CB-CG 4.41Å; V419-F422 HydrophobicContact CG1-CB 3.91Å; V419-F422 HydrophobicContact CG1-CD2 4.01Å; V419-F422 HydrophobicContact CG1-CG 4.45Å; V419-F422 VanDerWaalsContact O-CB 3.28Å; V419-F422 WeakPolarHBondContact O-CB 3.29Å; V419-F422 PolarHBondContact O-N 2.95Å; V420-F422 VanDerWaalsContact C-N 3.34Å; F422-T424 PolarHBondContact O-N 3.32Å; F422-I425 PolarHBondContact O-N 3.07Å; F422-I425 VanDerWaalsContact O-N 3.16Å; F422-C426 VanDerWaalsContact CD1-SG 3.59Å; F422-C426 WeakPolarHBondContact CE1-SG 3.45Å; F422-C426 WeakPolarHBondContact CZ-SG 3.47Å; F422-C426 WeakPolarHBondContact O-CB 3.32Å; F422-C426 PolarHBondContact O-N 3.17Å; F422-C426 PolarHBondContact O-SG 3.12Å; F422-V434 HydrophobicContact CE2-CG1 4.05Å; F422-V434 HydrophobicContact CZ-CG1 3.81Å; F422-L438 HydrophobicContact CE2-CD1 4.32Å; F422-D462 HydrophobicContact CB-CB 4.3Å; F422-D462 WeakPolarHBondContact CB-OD2 3.35Å; F422-D462 HydrophobicContact CD1-CB 3.49Å; F422-D462 VanDerWaalsContact CD1-CB 3.49Å; F422-D462 VanDerWaalsContact CD1-CG 3.41Å; F422-D462 VanDerWaalsContact CD1-OD2 3.28Å; F422-D462 WeakPolarHBondContact CD1-OD2 3.34Å; F422-D462 HydrophobicContact CD2-CB 3.97Å; F422-D462 HydrophobicContact CE1-CB 3.65Å; F422-D462 HydrophobicContact CE2-CB 4.11Å; F422-D462 HydrophobicContact CG-CB 3.66Å; F422-D462 WeakPolarHBondContact CG-OD2 3.49Å; F422-D462 HydrophobicContact CZ-CB 3.96Å |
| 423 | T | 70.5 | Confident | 77 | Confident | 111 Ų | 111 | 53.7 Ų | 53.7 | 68% | 0.681 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -60.1 | -37.3 | 177.2 | -10.2 | 0 | 0 | 0 | 0 | 111.7 | G421 S427 | G421-T423 PolarHBondContact O-N 2.92Å; T423-S427 PolarHBondContact O-N 3.48Å; T423-S427 VanDerWaalsContact O-N 3.16Å; T423-S427 PolarHBondContact O-OG 2.96Å |
| 424 | T | 72.6 | Confident | 76.5 | Confident | 109 Ų | 109 | 54.6 Ų | 54.6 | 67% | 0.669 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -71.7 | -41.2 | 176.1 | -50.3 | 0 | 0 | 0 | 0 | 111.4 | G421 F422 S427 G428 | G421-T424 WeakPolarHBondContact O-CA 3.33Å; G421-T424 VanDerWaalsContact O-CB 3.3Å; G421-T424 WeakPolarHBondContact O-CB 3.41Å; G421-T424 PolarHBondContact O-N 3.47Å; F422-T424 PolarHBondContact O-N 3.32Å; T424-S427 WeakPolarHBondContact O-CB 3.43Å; T424-S427 PolarHBondContact O-N 2.89Å; T424-G428 PolarHBondContact O-N 2.7Å |
| 425 | I | 70.3 | Confident | 76.1 | Confident | 48 Ų | 48 | 59.2 Ų | 59.2 | 25% | 0.246 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -62.4 | -46.3 | 175.6 | -66.5 | 161.2 | 0 | 0 | 0 | 110.4 | V419 G421 F422 S427 G428 L429 L437 P503 | V419-I425 HydrophobicContact CG1-CD1 4.43Å; G421-I425 PolarHBondContact O-N 2.66Å; F422-I425 PolarHBondContact O-N 3.07Å; F422-I425 VanDerWaalsContact O-N 3.16Å; I425-S427 PolarHBondContact O-N 3.46Å; I425-G428 PolarHBondContact O-N 3.28Å; I425-G428 VanDerWaalsContact O-N 3.08Å; I425-L429 HydrophobicContact CG2-CD1 3.5Å; I425-L429 VanDerWaalsContact CG2-CD1 3.5Å; I425-L429 HydrophobicContact CG2-CG 4.22Å; I425-L429 WeakPolarHBondContact O-CG 3.47Å; I425-L429 PolarHBondContact O-N 3.37Å; I425-L429 VanDerWaalsContact O-N 3.15Å; I425-L437 HydrophobicContact CG2-CD2 4.17Å; I425-P503 HydrophobicContact CD1-CB 3.69Å; I425-P503 HydrophobicContact CD1-CG 3.71Å |
| 426 | C | 69.8 | Low | 75.9 | Confident | 41 Ų | 41 | 62.1 Ų | 62.1 | 28% | 0.277 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.9 | -30.3 | 177.4 | -69.3 | 0 | 0 | 0 | 0 | 113.1 | F422 G428 V434 | F422-C426 VanDerWaalsContact CD1-SG 3.59Å; F422-C426 WeakPolarHBondContact CE1-SG 3.45Å; F422-C426 WeakPolarHBondContact CZ-SG 3.47Å; F422-C426 WeakPolarHBondContact O-CB 3.32Å; F422-C426 PolarHBondContact O-N 3.17Å; F422-C426 PolarHBondContact O-SG 3.12Å; C426-G428 VanDerWaalsContact C-N 3.26Å; C426-G428 PolarHBondContact O-N 3.18Å; C426-V434 HydrophobicContact CB-CG2 4.32Å; C426-V434 WeakPolarHBondContact SG-CG1 3.3Å |
| 427 | S | 77.1 | Confident | 75.5 | Confident | 105 Ų | 105 | 63.9 Ų | 63.9 | 73% | 0.734 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -70 | -25.5 | 177.7 | -58.6 | 0 | 0 | 0 | 0 | 112.4 | T423 T424 I425 | T423-S427 PolarHBondContact O-N 3.48Å; T423-S427 VanDerWaalsContact O-N 3.16Å; T423-S427 PolarHBondContact O-OG 2.96Å; T424-S427 WeakPolarHBondContact O-CB 3.43Å; T424-S427 PolarHBondContact O-N 2.89Å; I425-S427 PolarHBondContact O-N 3.46Å |
| 428 | G | 75.8 | Confident | 75.5 | Confident | 69 Ų | 69 | 65.4 Ų | 65.4 | 71% | 0.711 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -101.1 | -15.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | T424 I425 C426 | T424-G428 PolarHBondContact O-N 2.7Å; I425-G428 PolarHBondContact O-N 3.28Å; I425-G428 VanDerWaalsContact O-N 3.08Å; C426-G428 VanDerWaalsContact C-N 3.26Å; C426-G428 PolarHBondContact O-N 3.18Å |
| 429 | L | 75.1 | Confident | 75.8 | Confident | 64 Ų | 64 | 68.9 Ų | 68.9 | 34% | 0.335 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -104.3 | 154 | -175.8 | -68.4 | -178.4 | 0 | 0 | 0 | 112.2 | I425 E433 V434 L437 | I425-L429 HydrophobicContact CG2-CD1 3.5Å; I425-L429 VanDerWaalsContact CG2-CD1 3.5Å; I425-L429 HydrophobicContact CG2-CG 4.22Å; I425-L429 WeakPolarHBondContact O-CG 3.47Å; I425-L429 PolarHBondContact O-N 3.37Å; I425-L429 VanDerWaalsContact O-N 3.15Å; L429-E433 HydrophobicContact CB-CB 4.35Å; L429-V434 HydrophobicContact CB-CG2 3.68Å; L429-V434 HydrophobicContact CD1-CG2 4.36Å; L429-L437 HydrophobicContact CD1-CD2 4.47Å |
| 430 | A | 81.8 | Confident | 76.3 | Confident | 48 Ų | 48 | 72.9 Ų | 72.9 | 40% | 0.397 | 45% | 0.445 | S | S | . | . | trans | -66.5 | 145.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110 | L432 E433 V434 | A430-L432 PolarHBondContact O-N 3.43Å; A430-L432 VanDerWaalsContact O-N 3.07Å; A430-E433 HydrophobicContact CB-CG 4.16Å; A430-E433 PolarHBondContact N-OE2 3.3Å; A430-E433 WeakPolarHBondContact O-CB 3.39Å; A430-E433 PolarHBondContact O-N 3.39Å; A430-V434 PolarHBondContact O-N 3.11Å; A430-V434 VanDerWaalsContact O-N 3.11Å | ||
| 431 | P | 80.7 | Confident | 76.8 | Confident | 111 Ų | 111 | 71 Ų | 71 | 72% | 0.721 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -53.2 | -34.7 | -179.7 | -29.6 | 35.4 | 0 | 0 | 0 | 114.5 | V435 | P431-V435 WeakPolarHBondContact O-CG2 3.41Å; P431-V435 PolarHBondContact O-N 3.23Å; P431-V435 VanDerWaalsContact O-N 3.15Å |
| 432 | L | 84.4 | Confident | 77.6 | Confident | 152 Ų | 152 | 71.2 Ų | 71.2 | 80% | 0.796 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -68.1 | -34.8 | 175.9 | -73.7 | 171 | 0 | 0 | 0 | 113 | A430 S436 | A430-L432 PolarHBondContact O-N 3.43Å; A430-L432 VanDerWaalsContact O-N 3.07Å; L432-S436 WeakPolarHBondContact O-CB 3.49Å; L432-S436 PolarHBondContact O-N 3.39Å |
| 433 | E | 80.9 | Confident | 78.4 | Confident | 106 Ų | 106 | 72.8 Ų | 72.8 | 50% | 0.495 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -71.8 | -39.5 | 177.7 | -64.5 | 174.8 | 141.1 | 0 | 0 | 111 | L429 A430 S436 L437 | L429-E433 HydrophobicContact CB-CB 4.35Å; A430-E433 HydrophobicContact CB-CG 4.16Å; A430-E433 PolarHBondContact N-OE2 3.3Å; A430-E433 WeakPolarHBondContact O-CB 3.39Å; A430-E433 PolarHBondContact O-N 3.39Å; E433-S436 PolarHBondContact O-N 2.9Å; E433-L437 WeakPolarHBondContact O-CB 3.4Å; E433-L437 PolarHBondContact O-N 2.94Å |
| 434 | V | 76.6 | Confident | 79.1 | Confident | 18 Ų | 18 | 69.8 Ų | 69.8 | 11% | 0.109 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -59.1 | -47.5 | 173.6 | 177 | 0 | 0 | 0 | 0 | 110.7 | F422 C426 L429 A430 S436 L437 L438 | F422-V434 HydrophobicContact CE2-CG1 4.05Å; F422-V434 HydrophobicContact CZ-CG1 3.81Å; C426-V434 HydrophobicContact CB-CG2 4.32Å; C426-V434 WeakPolarHBondContact SG-CG1 3.3Å; L429-V434 HydrophobicContact CB-CG2 3.68Å; L429-V434 HydrophobicContact CD1-CG2 4.36Å; A430-V434 PolarHBondContact O-N 3.11Å; A430-V434 VanDerWaalsContact O-N 3.11Å; V434-S436 VanDerWaalsContact C-N 3.32Å; V434-S436 PolarHBondContact O-N 3.4Å; V434-L437 PolarHBondContact O-N 3.03Å; V434-L438 WeakPolarHBondContact O-CB 3.41Å; V434-L438 PolarHBondContact O-N 3.03Å |
| 435 | V | 80.5 | Confident | 79.8 | Confident | 97 Ų | 97 | 64.7 Ų | 64.7 | 59% | 0.588 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -62.5 | -40.9 | 177.7 | 172.7 | 0 | 0 | 0 | 0 | 111 | P431 L438 N439 | P431-V435 WeakPolarHBondContact O-CG2 3.41Å; P431-V435 PolarHBondContact O-N 3.23Å; P431-V435 VanDerWaalsContact O-N 3.15Å; V435-L438 PolarHBondContact O-N 3.4Å; V435-N439 VanDerWaalsContact O-CB 3.22Å; V435-N439 WeakPolarHBondContact O-CB 3.46Å; V435-N439 PolarHBondContact O-N 3.34Å |
| 436 | S | 81.2 | Confident | 80.7 | Confident | 61 Ų | 61 | 65 Ų | 65 | 43% | 0.427 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63.9 | -44.3 | 176.9 | -172.4 | 0 | 0 | 0 | 0 | 112.2 | L432 E433 V434 N439 K440 | L432-S436 WeakPolarHBondContact O-CB 3.49Å; L432-S436 PolarHBondContact O-N 3.39Å; E433-S436 PolarHBondContact O-N 2.9Å; V434-S436 VanDerWaalsContact C-N 3.32Å; V434-S436 PolarHBondContact O-N 3.4Å; S436-N439 PolarHBondContact O-N 3.33Å; S436-K440 WeakPolarHBondContact O-CG 3.36Å; S436-K440 PolarHBondContact O-N 3.34Å |
| 437 | L | 77.2 | Confident | 81.5 | Confident | 42 Ų | 42 | 65.2 Ų | 65.2 | 22% | 0.22 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -61.1 | -48.7 | 176.1 | 177.6 | 64.3 | 0 | 0 | 0 | 111.4 | I425 L429 E433 V434 N439 K440 L441 | I425-L437 HydrophobicContact CG2-CD2 4.17Å; L429-L437 HydrophobicContact CD1-CD2 4.47Å; E433-L437 WeakPolarHBondContact O-CB 3.4Å; E433-L437 PolarHBondContact O-N 2.94Å; V434-L437 PolarHBondContact O-N 3.03Å; L437-N439 VanDerWaalsContact C-N 3.34Å; L437-N439 PolarHBondContact O-N 3.48Å; L437-K440 WeakPolarHBondContact O-CB 3.46Å; L437-K440 PolarHBondContact O-N 3.07Å; L437-L441 HydrophobicContact CD1-CD1 4.45Å; L437-L441 HydrophobicContact CG-CD1 4.34Å; L437-L441 PolarHBondContact O-N 3.47Å |
| 438 | L | 79.1 | Confident | 82.1 | Confident | 32 Ų | 32 | 61.1 Ų | 61.1 | 17% | 0.168 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.6 | -41.7 | 179.4 | -167.1 | 65.8 | 0 | 0 | 0 | 111.2 | F422 V434 V435 K440 L441 Y442 | F422-L438 HydrophobicContact CE2-CD1 4.32Å; V434-L438 WeakPolarHBondContact O-CB 3.41Å; V434-L438 PolarHBondContact O-N 3.03Å; V435-L438 PolarHBondContact O-N 3.4Å; L438-K440 VanDerWaalsContact C-N 3.35Å; L438-K440 PolarHBondContact O-N 3.12Å; L438-L441 PolarHBondContact O-N 3.04Å; L438-Y442 HydrophobicContact CD1-CD1 4.23Å; L438-Y442 HydrophobicContact CD1-CD2 4.48Å; L438-Y442 HydrophobicContact CD1-CE1 3.62Å; L438-Y442 HydrophobicContact CD1-CE2 3.94Å; L438-Y442 VanDerWaalsContact CD1-CZ 3.48Å; L438-Y442 HydrophobicContact CD2-CD2 4.48Å; L438-Y442 HydrophobicContact CD2-CE2 3.77Å; L438-Y442 HydrophobicContact CG-CD1 4.49Å; L438-Y442 HydrophobicContact CG-CD2 3.96Å; L438-Y442 HydrophobicContact CG-CE1 4.16Å; L438-Y442 HydrophobicContact CG-CE2 3.6Å; L438-Y442 HydrophobicContact CG-CG 4.41Å; L438-Y442 WeakPolarHBondContact O-CB 3.34Å; L438-Y442 PolarHBondContact O-N 3.43Å |
| 439 | N | 82.6 | Confident | 82.7 | Confident | 102 Ų | 102 | 58.8 Ų | 58.8 | 55% | 0.545 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.9 | -37 | 177.1 | -169.5 | 61.4 | 0 | 0 | 0 | 112.3 | V435 S436 L437 S443 | V435-N439 VanDerWaalsContact O-CB 3.22Å; V435-N439 WeakPolarHBondContact O-CB 3.46Å; V435-N439 PolarHBondContact O-N 3.34Å; S436-N439 PolarHBondContact O-N 3.33Å; L437-N439 VanDerWaalsContact C-N 3.34Å; L437-N439 PolarHBondContact O-N 3.48Å; N439-S443 VanDerWaalsContact O-CB 3.27Å; N439-S443 WeakPolarHBondContact O-CB 3.38Å; N439-S443 PolarHBondContact O-N 2.74Å; N439-S443 PolarHBondContact O-OG 3.36Å |
| 440 | K | 81.9 | Confident | 83.1 | Confident | 92 Ų | 92 | 62.3 Ų | 62.3 | 40% | 0.4 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.5 | -49 | 173 | -75.8 | 175 | 179.9 | -175.6 | 0 | 111.4 | S436 L437 L438 S443 V444 D497 | S436-K440 WeakPolarHBondContact O-CG 3.36Å; S436-K440 PolarHBondContact O-N 3.34Å; L437-K440 WeakPolarHBondContact O-CB 3.46Å; L437-K440 PolarHBondContact O-N 3.07Å; L438-K440 VanDerWaalsContact C-N 3.35Å; L438-K440 PolarHBondContact O-N 3.12Å; K440-S443 PolarHBondContact O-N 3.05Å; K440-V444 PolarHBondContact O-N 3.19Å; K440-D497 IonicContact NZ-OD1 2.76Å; K440-D497 IonicContact NZ-OD2 3.83Å; K440-D497 PolarHBondContact NZ-OD2 2.83Å |
| 441 | L | 78.9 | Confident | 83.4 | Confident | 16 Ų | 16 | 65.5 Ų | 65.5 | 8% | 0.084 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.2 | -49.4 | 178.5 | -72.4 | 170.4 | 0 | 0 | 0 | 111.2 | V419 L437 L438 S443 V444 F445 V495 | V419-L441 HydrophobicContact CG2-CD1 4.33Å; L437-L441 HydrophobicContact CD1-CD1 4.45Å; L437-L441 HydrophobicContact CG-CD1 4.34Å; L437-L441 PolarHBondContact O-N 3.47Å; L438-L441 PolarHBondContact O-N 3.04Å; L441-S443 VanDerWaalsContact C-N 3.32Å; L441-S443 PolarHBondContact O-N 3.42Å; L441-V444 PolarHBondContact O-N 2.94Å; L441-F445 PolarHBondContact O-N 3.28Å; L441-F445 VanDerWaalsContact O-N 3.11Å; L441-V495 HydrophobicContact CD2-CG1 4.13Å |
| 442 | Y | 84.6 | Confident | 83.8 | Confident | 40 Ų | 40 | 60.2 Ų | 60.2 | 16% | 0.157 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.1 | -34.6 | 178 | -71.1 | -5.2 | 0 | 0 | 0 | 112.6 | L438 V444 F445 D446 D462 Y464 | L438-Y442 HydrophobicContact CD1-CD1 4.23Å; L438-Y442 HydrophobicContact CD1-CD2 4.48Å; L438-Y442 HydrophobicContact CD1-CE1 3.62Å; L438-Y442 HydrophobicContact CD1-CE2 3.94Å; L438-Y442 VanDerWaalsContact CD1-CZ 3.48Å; L438-Y442 HydrophobicContact CD2-CD2 4.48Å; L438-Y442 HydrophobicContact CD2-CE2 3.77Å; L438-Y442 HydrophobicContact CG-CD1 4.49Å; L438-Y442 HydrophobicContact CG-CD2 3.96Å; L438-Y442 HydrophobicContact CG-CE1 4.16Å; L438-Y442 HydrophobicContact CG-CE2 3.6Å; L438-Y442 HydrophobicContact CG-CG 4.41Å; L438-Y442 WeakPolarHBondContact O-CB 3.34Å; L438-Y442 PolarHBondContact O-N 3.43Å; Y442-V444 VanDerWaalsContact C-N 3.29Å; Y442-V444 PolarHBondContact O-N 3.16Å; Y442-F445 HydrophobicContact CD1-CD2 4.48Å; Y442-F445 PolarHBondContact O-N 2.91Å; Y442-D446 WeakPolarHBondContact O-CB 3.16Å; Y442-D446 PolarHBondContact O-N 3.13Å; Y442-D462 PolarHBondContact OH-O 3.42Å; Y442-Y464 AromaticContact CD1-CD2 3.45Å; Y442-Y464 HydrophobicContact CD1-CD2 3.45Å; Y442-Y464 VanDerWaalsContact CD1-CD2 3.45Å; Y442-Y464 AromaticContact CD1-CE2 3.94Å; Y442-Y464 HydrophobicContact CD1-CE2 3.94Å; Y442-Y464 HydrophobicContact CD1-CG 4.37Å; Y442-Y464 AromaticContact CE1-CD2 3.49Å; Y442-Y464 HydrophobicContact CE1-CD2 3.49Å; Y442-Y464 VanDerWaalsContact CE1-CD2 3.49Å; Y442-Y464 HydrophobicContact CE1-CE2 4.39Å; Y442-Y464 HydrophobicContact CE1-CG 4.2Å; Y442-Y464 HydrophobicContact CG-CD2 4.11Å; Y442-Y464 HydrophobicContact CG-CE2 4.23Å |
| 443 | S | 85.5 | Confident | 83.9 | Confident | 65 Ų | 65 | 56.4 Ų | 56.4 | 46% | 0.455 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62 | -38.3 | 175.7 | -63.5 | 0 | 0 | 0 | 0 | 112.1 | N439 K440 L441 G447 | N439-S443 VanDerWaalsContact O-CB 3.27Å; N439-S443 WeakPolarHBondContact O-CB 3.38Å; N439-S443 PolarHBondContact O-N 2.74Å; N439-S443 PolarHBondContact O-OG 3.36Å; K440-S443 PolarHBondContact O-N 3.05Å; L441-S443 VanDerWaalsContact C-N 3.32Å; L441-S443 PolarHBondContact O-N 3.42Å; S443-G447 PolarHBondContact O-N 3.28Å; S443-G447 VanDerWaalsContact O-N 3.14Å |
| 444 | V | 84.6 | Confident | 84.3 | Confident | 48 Ų | 48 | 51.9 Ų | 51.9 | 29% | 0.291 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -67.8 | -45.2 | 176.6 | 174.6 | 0 | 0 | 0 | 0 | 110.4 | K440 L441 Y442 G447 L448 V495 | K440-V444 PolarHBondContact O-N 3.19Å; L441-V444 PolarHBondContact O-N 2.94Å; Y442-V444 VanDerWaalsContact C-N 3.29Å; Y442-V444 PolarHBondContact O-N 3.16Å; V444-G447 PolarHBondContact O-N 3.02Å; V444-L448 PolarHBondContact O-N 2.63Å; V444-V495 HydrophobicContact CG2-CG2 3.88Å |
| 445 | F | 86.7 | Confident | 84.9 | Confident | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.009 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -68.6 | -41.1 | 178.6 | -61 | -22 | 0 | 0 | 0 | 113 | L441 Y442 G447 L448 T449 Y464 M488 V492 E504 | L441-F445 PolarHBondContact O-N 3.28Å; L441-F445 VanDerWaalsContact O-N 3.11Å; Y442-F445 HydrophobicContact CD1-CD2 4.48Å; Y442-F445 PolarHBondContact O-N 2.91Å; F445-G447 VanDerWaalsContact C-N 3.26Å; F445-G447 PolarHBondContact O-N 3.44Å; F445-L448 HydrophobicContact CD1-CD1 4.48Å; F445-L448 CarbonylContact O-C 3.59Å; F445-L448 WeakPolarHBondContact O-CA 3.34Å; F445-L448 WeakPolarHBondContact O-CB 3.43Å; F445-L448 PolarHBondContact O-N 3.19Å; F445-T449 WeakPolarHBondContact O-CG2 3.37Å; F445-T449 PolarHBondContact O-N 2.88Å; F445-Y464 HydrophobicContact CB-CD1 4.22Å; F445-Y464 HydrophobicContact CB-CE1 3.61Å; F445-Y464 HydrophobicContact CB-CE2 4.02Å; F445-Y464 AromaticContact CD2-CD1 3.99Å; F445-Y464 HydrophobicContact CD2-CD1 3.99Å; F445-Y464 HydrophobicContact CD2-CD2 4.23Å; F445-Y464 HydrophobicContact CD2-CE1 4.25Å; F445-Y464 HydrophobicContact CD2-CE2 4.45Å; F445-Y464 AromaticContact CD2-CG 3.97Å; F445-Y464 HydrophobicContact CD2-CG 3.97Å; F445-Y464 HydrophobicContact CG-CD1 4.45Å; F445-Y464 HydrophobicContact CG-CE1 4.3Å; F445-M488 HydrophobicContact CB-CE 4.32Å; F445-M488 HydrophobicContact CD1-CB 4.45Å; F445-M488 HydrophobicContact CD1-CE 3.73Å; F445-M488 HydrophobicContact CD1-CG 3.89Å; F445-M488 HydrophobicContact CD2-CE 3.58Å; F445-M488 HydrophobicContact CE1-CB 4.13Å; F445-M488 HydrophobicContact CE1-CE 3.82Å; F445-M488 HydrophobicContact CE1-CG 4.05Å; F445-M488 HydrophobicContact CE2-CE 3.68Å; F445-M488 HydrophobicContact CG-CE 3.61Å; F445-M488 HydrophobicContact CZ-CE 3.8Å; F445-V492 HydrophobicContact CE1-CG2 3.62Å; F445-V492 HydrophobicContact CZ-CG2 3.55Å; F445-E504 WeakPolarHBondContact CE2-OE1 3.2Å; F445-E504 WeakPolarHBondContact CZ-OE1 3.35Å |
| 446 | D | 88.7 | Confident | 85.3 | Confident | 55 Ų | 55 | 52 Ų | 52 | 29% | 0.294 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.5 | -40.6 | 176.9 | -70.4 | -6.8 | 0 | 0 | 0 | 109.8 | Y442 L448 T449 E450 K456 Y464 | Y442-D446 WeakPolarHBondContact O-CB 3.16Å; Y442-D446 PolarHBondContact O-N 3.13Å; D446-L448 VanDerWaalsContact C-N 3.34Å; D446-L448 PolarHBondContact O-N 3.25Å; D446-T449 PolarHBondContact O-N 3.45Å; D446-T449 PolarHBondContact O-OG1 2.88Å; D446-E450 PolarHBondContact O-N 3.07Å; D446-K456 WeakPolarHBondContact OD1-CD 3.49Å; D446-K456 WeakPolarHBondContact OD1-CE 3.38Å; D446-K456 IonicContact OD1-NZ 3.94Å; D446-K456 PolarHBondContact OD1-NZ 3.47Å; D446-K456 IonicContact OD2-NZ 3.69Å; D446-K456 PolarHBondContact OD2-NZ 3.26Å; D446-Y464 PolarHBondContact N-OH 3.21Å; D446-Y464 WeakPolarHBondContact OD1-CE2 3.45Å; D446-Y464 PolarHBondContact OD1-OH 3.49Å |
| 447 | G | 88.3 | Confident | 85.5 | Confident | 44 Ų | 44 | 49.4 Ų | 49.4 | 45% | 0.454 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.1 | -38.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | S443 V444 F445 K451 | S443-G447 PolarHBondContact O-N 3.28Å; S443-G447 VanDerWaalsContact O-N 3.14Å; V444-G447 PolarHBondContact O-N 3.02Å; F445-G447 VanDerWaalsContact C-N 3.26Å; F445-G447 PolarHBondContact O-N 3.44Å; G447-K451 PolarHBondContact O-N 3.13Å |
| 448 | L | 88.3 | Confident | 85.5 | Confident | 19 Ų | 19 | 53.3 Ų | 53.3 | 10% | 0.099 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -70.3 | -33.5 | 174.6 | -67.6 | 177.6 | 0 | 0 | 0 | 112.4 | V444 F445 D446 E450 K451 H452 M484 D487 M488 | V444-L448 PolarHBondContact O-N 2.63Å; F445-L448 HydrophobicContact CD1-CD1 4.48Å; F445-L448 CarbonylContact O-C 3.59Å; F445-L448 WeakPolarHBondContact O-CA 3.34Å; F445-L448 WeakPolarHBondContact O-CB 3.43Å; F445-L448 PolarHBondContact O-N 3.19Å; D446-L448 VanDerWaalsContact C-N 3.34Å; D446-L448 PolarHBondContact O-N 3.25Å; L448-E450 PolarHBondContact O-N 3.43Å; L448-K451 HydrophobicContact CD2-CD 4.31Å; L448-K451 WeakPolarHBondContact O-CB 3.16Å; L448-K451 PolarHBondContact O-N 2.9Å; L448-K451 VanDerWaalsContact O-N 3.07Å; L448-H452 PolarHBondContact O-CD2 2.96Å; L448-H452 PolarHBondContact O-N 3.22Å; L448-M484 HydrophobicContact CB-CE 3.34Å; L448-M484 HydrophobicContact CB-SD 3.61Å; L448-M484 HydrophobicContact CD1-CE 4.11Å; L448-M484 HydrophobicContact CG-CE 4.39Å; L448-D487 HydrophobicContact CD1-CB 4.24Å; L448-D487 HydrophobicContact CD2-CB 4.12Å; L448-M488 HydrophobicContact CD1-CB 4.45Å; L448-M488 HydrophobicContact CD1-CG 3.86Å |
| 449 | T | 88.7 | Confident | 85.1 | Confident | 21 Ų | 21 | 54.2 Ų | 54.2 | 13% | 0.129 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.9 | -37.2 | 177.7 | 65 | 0 | 0 | 0 | 0 | 111.8 | F445 D446 K453 V454 Y464 I466 M484 | F445-T449 WeakPolarHBondContact O-CG2 3.37Å; F445-T449 PolarHBondContact O-N 2.88Å; D446-T449 PolarHBondContact O-N 3.45Å; D446-T449 PolarHBondContact O-OG1 2.88Å; T449-K453 WeakPolarHBondContact O-CA 3.17Å; T449-K453 PolarHBondContact O-N 3.39Å; T449-V454 HydrophobicContact CG2-CG2 4.09Å; T449-V454 PolarHBondContact O-N 3.34Å; T449-V454 VanDerWaalsContact O-N 3.17Å; T449-Y464 HydrophobicContact CG2-CE1 4.38Å; T449-Y464 VanDerWaalsContact CG2-OH 3.3Å; T449-Y464 WeakPolarHBondContact CG2-OH 3.43Å; T449-I466 HydrophobicContact CG2-CD1 4.25Å; T449-I466 HydrophobicContact CG2-CG2 4.48Å; T449-M484 HydrophobicContact CG2-CE 4.09Å |
| 450 | E | 85 | Confident | 84.5 | Confident | 137 Ų | 137 | 57.3 Ų | 57.3 | 64% | 0.64 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -69.8 | -34.3 | 176.6 | -172.9 | 165.1 | -156.7 | 0 | 0 | 112.6 | D446 L448 K453 | D446-E450 PolarHBondContact O-N 3.07Å; L448-E450 PolarHBondContact O-N 3.43Å; E450-K453 VanDerWaalsContact O-CD 3.3Å; E450-K453 WeakPolarHBondContact O-CD 3.37Å; E450-K453 WeakPolarHBondContact O-CE 3.45Å; E450-K453 PolarHBondContact O-NZ 2.76Å |
| 451 | K | 87 | Confident | 84 | Confident | 115 Ų | 115 | 55.5 Ų | 55.5 | 50% | 0.5 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -67.4 | -46.4 | 175.1 | -177.8 | -172.7 | 178.6 | -169.2 | 0 | 112 | G447 L448 D487 | G447-K451 PolarHBondContact O-N 3.13Å; L448-K451 HydrophobicContact CD2-CD 4.31Å; L448-K451 WeakPolarHBondContact O-CB 3.16Å; L448-K451 PolarHBondContact O-N 2.9Å; L448-K451 VanDerWaalsContact O-N 3.07Å; K451-D487 IonicContact NZ-OD2 3.78Å; K451-D487 PolarHBondContact NZ-OD2 3.19Å |
| 452 | H | 88.6 | Confident | 83.8 | Confident | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -89.4 | -2.3 | -176.8 | -61.7 | -74.9 | 0 | 0 | 0 | 113.9 | L448 V454 M484 D487 R607 | L448-H452 PolarHBondContact O-CD2 2.96Å; L448-H452 PolarHBondContact O-N 3.22Å; H452-V454 VanDerWaalsContact C-N 3.25Å; H452-V454 HydrophobicContact CB-CG1 4.11Å; H452-V454 HydrophobicContact CB-CG2 4.16Å; H452-V454 PolarHBondContact O-N 2.77Å; H452-M484 HydrophobicContact CB-CB 4.32Å; H452-M484 HydrophobicContact CB-SD 4.29Å; H452-M484 PolarHBondContact CD2-SD 3.28Å; H452-D487 IonicContact CE1-OD2 2.87Å; H452-D487 PolarHBondContact CE1-OD2 3.45Å; H452-D487 IonicContact NE2-OD2 3.14Å; H452-D487 PolarHBondContact NE2-OD2 3.4Å; H452-R607 PolarHBondContact ND1-NH2 3.24Å |
| 453 | K | 87.7 | Confident | 83.4 | Confident | 72 Ų | 72 | 55 Ų | 55 | 31% | 0.313 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 43 | -178.2 | -58.1 | -61.6 | 175.9 | -155.5 | 0 | 112.6 | T449 E450 R607 I610 A611 | T449-K453 WeakPolarHBondContact O-CA 3.17Å; T449-K453 PolarHBondContact O-N 3.39Å; E450-K453 VanDerWaalsContact O-CD 3.3Å; E450-K453 WeakPolarHBondContact O-CD 3.37Å; E450-K453 WeakPolarHBondContact O-CE 3.45Å; E450-K453 PolarHBondContact O-NZ 2.76Å; K453-R607 HydrophobicContact CG-CB 4.06Å; K453-R607 HydrophobicContact CG-CG 4.34Å; K453-I610 HydrophobicContact CB-CG2 4.37Å; K453-A611 HydrophobicContact CD-CB 4.49Å |
| 454 | V | 89.6 | Confident | 83.3 | Confident | 11 Ų | 11 | 52.1 Ų | 52.1 | 7% | 0.067 | 28% | 0.282 | C | S | . | . | trans | -105.2 | 151.8 | 177.9 | -65.4 | 0 | 0 | 0 | 0 | 109.9 | T449 H452 I466 F480 I481 M484 | T449-V454 HydrophobicContact CG2-CG2 4.09Å; T449-V454 PolarHBondContact O-N 3.34Å; T449-V454 VanDerWaalsContact O-N 3.17Å; H452-V454 VanDerWaalsContact C-N 3.25Å; H452-V454 HydrophobicContact CB-CG1 4.11Å; H452-V454 HydrophobicContact CB-CG2 4.16Å; H452-V454 PolarHBondContact O-N 2.77Å; V454-I466 HydrophobicContact CB-CG2 3.5Å; V454-I466 HydrophobicContact CG2-CG2 3.37Å; V454-F480 HydrophobicContact CG1-CB 3.94Å; V454-I481 HydrophobicContact CB-CD1 4.39Å; V454-I481 HydrophobicContact CG1-CD1 4.04Å; V454-M484 HydrophobicContact CG2-CG 4.25Å; V454-M484 HydrophobicContact CG2-SD 3.96Å | ||
| 455 | Y | 89.3 | Confident | 83.4 | Confident | 47 Ų | 47 | 50.4 Ų | 50.4 | 18% | 0.184 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 123.7 | -173.8 | -178.4 | -101.8 | 0 | 0 | 0 | 111.4 | P389 V457 I466 A467 Y525 | P389-Y455 HydrophobicContact CB-CE2 4.33Å; P389-Y455 WeakPolarHBondContact CD-OH 3.28Å; P389-Y455 HydrophobicContact CG-CD2 4.17Å; P389-Y455 HydrophobicContact CG-CE1 4.44Å; P389-Y455 HydrophobicContact CG-CE2 3.51Å; Y455-V457 HydrophobicContact CD1-CG2 4.05Å; Y455-V457 HydrophobicContact CE1-CG2 4.36Å; Y455-I466 CarbonylContact O-C 3.49Å; Y455-I466 WeakPolarHBondContact O-CA 3.33Å; Y455-I466 WeakPolarHBondContact O-CG2 3.41Å; Y455-A467 PolarHBondContact N-O 3.4Å; Y455-A467 PolarHBondContact O-N 3.15Å; Y455-Y525 HydrophobicContact CD1-CD1 4.1Å; Y455-Y525 HydrophobicContact CD1-CE1 4.27Å; Y455-Y525 AromaticContact CE1-CD1 3.38Å; Y455-Y525 HydrophobicContact CE1-CD1 3.38Å; Y455-Y525 AromaticContact CE1-CE1 3.99Å; Y455-Y525 HydrophobicContact CE1-CE1 3.99Å; Y455-Y525 HydrophobicContact CE1-CG 4.24Å; Y455-Y525 AromaticContact CZ-CD1 3.89Å; Y455-Y525 WeakPolarHBondContact OH-CB 3.35Å |
| 456 | K | 88.8 | Confident | 83.5 | Confident | 71 Ų | 71 | 50.3 Ų | 50.3 | 31% | 0.309 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 124.8 | 173.4 | -178.8 | -177.4 | -175.6 | 168 | 0 | 110.3 | D446 Y464 | D446-K456 WeakPolarHBondContact OD1-CD 3.49Å; D446-K456 WeakPolarHBondContact OD1-CE 3.38Å; D446-K456 IonicContact OD1-NZ 3.94Å; D446-K456 PolarHBondContact OD1-NZ 3.47Å; D446-K456 IonicContact OD2-NZ 3.69Å; D446-K456 PolarHBondContact OD2-NZ 3.26Å; K456-Y464 HydrophobicContact CD-CE2 4.04Å; K456-Y464 VanDerWaalsContact CE-CE2 3.48Å; K456-Y464 HydrophobicContact CG-CE2 4.31Å |
| 457 | V | 85.1 | Confident | 83.6 | Confident | 5 Ų | 5 | 47.7 Ų | 47.7 | 3% | 0.03 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 131.2 | 178.3 | -173.4 | 0 | 0 | 0 | 0 | 108.3 | Y455 T459 M465 A467 L527 | Y455-V457 HydrophobicContact CD1-CG2 4.05Å; Y455-V457 HydrophobicContact CE1-CG2 4.36Å; V457-T459 PolarHBondContact O-N 2.82Å; V457-M465 HydrophobicContact CB-CB 4.12Å; V457-M465 HydrophobicContact CB-CG 3.88Å; V457-M465 HydrophobicContact CB-SD 3.97Å; V457-M465 HydrophobicContact CG1-CG 4.42Å; V457-M465 HydrophobicContact CG1-SD 3.82Å; V457-M465 HydrophobicContact CG2-CG 4.24Å; V457-M465 HydrophobicContact CG2-SD 4.45Å; V457-M465 PolarHBondContact N-O 3.43Å; V457-A467 HydrophobicContact CG2-CB 3.76Å; V457-L527 HydrophobicContact CB-CD1 4.06Å; V457-L527 HydrophobicContact CG1-CD1 3.51Å; V457-L527 HydrophobicContact CG2-CD1 3.31Å |
| 458 | E | 75.9 | Confident | 83.7 | Confident | 125 Ų | 125 | 45.8 Ų | 45.8 | 58% | 0.584 | 24% | 0.237 | S | C | * | . | P | Polyproline II helix | trans | -67.5 | 130.8 | 173.5 | -80.7 | -163 | 156.4 | 0 | 0 | 111.3 | R524 | E458-R524 VanDerWaalsContact OE2-CD 3.22Å; E458-R524 WeakPolarHBondContact OE2-CD 3.24Å; E458-R524 IonicContact OE2-CZ 2.77Å; E458-R524 IonicContact OE2-NE 2.91Å; E458-R524 PolarHBondContact OE2-NE 3.27Å; E458-R524 VanDerWaalsContact OE2-NE 3.14Å |
| 459 | T | 71.7 | Confident | 83.6 | Confident | 50 Ų | 50 | 45 Ų | 45 | 31% | 0.307 | 23% | 0.233 | S | C | . | . | trans | -122.7 | 166.8 | 178 | 35 | 0 | 0 | 0 | 0 | 111.2 | V457 A463 M465 | V457-T459 PolarHBondContact O-N 2.82Å; T459-A463 WeakPolarHBondContact CB-O 3.42Å; T459-A463 PolarHBondContact OG1-O 3.14Å; T459-M465 HydrophobicContact CG2-CB 3.35Å; T459-M465 HydrophobicContact CG2-CE 3.61Å; T459-M465 HydrophobicContact CG2-CG 4.27Å; T459-M465 HydrophobicContact CG2-SD 4.05Å | ||
| 460 | I | 68.9 | Low | 83.5 | Confident | 168 Ų | 168 | 44.2 Ų | 44.2 | 86% | 0.862 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -97.4 | 125.3 | 172.7 | -58.5 | 173.8 | 0 | 0 | 0 | 107.8 | ||
| 461 | G | 72.6 | Confident | 83.3 | Confident | 54 Ų | 54 | 38.9 Ų | 38.9 | 56% | 0.557 | 21% | 0.206 | S | C | * | . | S | Bend | trans | 103.3 | -146.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 462 | D | 73.4 | Confident | 83.2 | Confident | 33 Ų | 33 | 34.9 Ų | 34.9 | 18% | 0.176 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -94.8 | -8.1 | 179.5 | 52.8 | -40.6 | 0 | 0 | 0 | 113.8 | D418 F422 Y442 Y464 | D418-D462 VanDerWaalsContact OD1-OD2 3.12Å; F422-D462 HydrophobicContact CB-CB 4.3Å; F422-D462 WeakPolarHBondContact CB-OD2 3.35Å; F422-D462 HydrophobicContact CD1-CB 3.49Å; F422-D462 VanDerWaalsContact CD1-CB 3.49Å; F422-D462 VanDerWaalsContact CD1-CG 3.41Å; F422-D462 VanDerWaalsContact CD1-OD2 3.28Å; F422-D462 WeakPolarHBondContact CD1-OD2 3.34Å; F422-D462 HydrophobicContact CD2-CB 3.97Å; F422-D462 HydrophobicContact CE1-CB 3.65Å; F422-D462 HydrophobicContact CE2-CB 4.11Å; F422-D462 HydrophobicContact CG-CB 3.66Å; F422-D462 WeakPolarHBondContact CG-OD2 3.49Å; F422-D462 HydrophobicContact CZ-CB 3.96Å; Y442-D462 PolarHBondContact OH-O 3.42Å; D462-Y464 PolarHBondContact O-N 3Å |
| 463 | A | 76.8 | Confident | 83.1 | Confident | 13 Ų | 13 | 41 Ų | 41 | 11% | 0.107 | 22% | 0.215 | C | C | . | . | trans | -64.2 | 129.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | S417 T459 | S417-A463 CarbonylContact O-C 3.29Å; S417-A463 VanDerWaalsContact O-CA 3.26Å; S417-A463 WeakPolarHBondContact O-CA 3.41Å; T459-A463 WeakPolarHBondContact CB-O 3.42Å; T459-A463 PolarHBondContact OG1-O 3.14Å | ||
| 464 | Y | 83.8 | Confident | 83.1 | Confident | 4 Ų | 4 | 38.1 Ų | 38.1 | 2% | 0.016 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 112.4 | 172.9 | -168.9 | -95.7 | 0 | 0 | 0 | 109.8 | L416 S417 Y442 F445 D446 T449 K456 D462 I466 M488 | L416-Y464 WeakPolarHBondContact CA-O 3.48Å; S417-Y464 PolarHBondContact N-O 3.41Å; S417-Y464 PolarHBondContact O-N 3.09Å; Y442-Y464 AromaticContact CD1-CD2 3.45Å; Y442-Y464 HydrophobicContact CD1-CD2 3.45Å; Y442-Y464 VanDerWaalsContact CD1-CD2 3.45Å; Y442-Y464 AromaticContact CD1-CE2 3.94Å; Y442-Y464 HydrophobicContact CD1-CE2 3.94Å; Y442-Y464 HydrophobicContact CD1-CG 4.37Å; Y442-Y464 AromaticContact CE1-CD2 3.49Å; Y442-Y464 HydrophobicContact CE1-CD2 3.49Å; Y442-Y464 VanDerWaalsContact CE1-CD2 3.49Å; Y442-Y464 HydrophobicContact CE1-CE2 4.39Å; Y442-Y464 HydrophobicContact CE1-CG 4.2Å; Y442-Y464 HydrophobicContact CG-CD2 4.11Å; Y442-Y464 HydrophobicContact CG-CE2 4.23Å; F445-Y464 HydrophobicContact CB-CD1 4.22Å; F445-Y464 HydrophobicContact CB-CE1 3.61Å; F445-Y464 HydrophobicContact CB-CE2 4.02Å; F445-Y464 AromaticContact CD2-CD1 3.99Å; F445-Y464 HydrophobicContact CD2-CD1 3.99Å; F445-Y464 HydrophobicContact CD2-CD2 4.23Å; F445-Y464 HydrophobicContact CD2-CE1 4.25Å; F445-Y464 HydrophobicContact CD2-CE2 4.45Å; F445-Y464 AromaticContact CD2-CG 3.97Å; F445-Y464 HydrophobicContact CD2-CG 3.97Å; F445-Y464 HydrophobicContact CG-CD1 4.45Å; F445-Y464 HydrophobicContact CG-CE1 4.3Å; D446-Y464 PolarHBondContact N-OH 3.21Å; D446-Y464 WeakPolarHBondContact OD1-CE2 3.45Å; D446-Y464 PolarHBondContact OD1-OH 3.49Å; T449-Y464 HydrophobicContact CG2-CE1 4.38Å; T449-Y464 VanDerWaalsContact CG2-OH 3.3Å; T449-Y464 WeakPolarHBondContact CG2-OH 3.43Å; K456-Y464 HydrophobicContact CD-CE2 4.04Å; K456-Y464 VanDerWaalsContact CE-CE2 3.48Å; K456-Y464 HydrophobicContact CG-CE2 4.31Å; D462-Y464 PolarHBondContact O-N 3Å; Y464-I466 HydrophobicContact CD1-CD1 3.81Å; Y464-I466 HydrophobicContact CD1-CG1 3.61Å; Y464-I466 HydrophobicContact CE1-CD1 3.41Å; Y464-I466 VanDerWaalsContact CE1-CD1 3.41Å; Y464-I466 HydrophobicContact CE1-CG1 3.34Å; Y464-M488 HydrophobicContact CD1-CE 3.89Å; Y464-M488 HydrophobicContact CE1-CE 4.34Å |
| 465 | M | 86.6 | Confident | 82.9 | Confident | 11 Ų | 11 | 44.2 Ų | 44.2 | 5% | 0.054 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 134.1 | -177.7 | -175.1 | -178 | -65.9 | 0 | 0 | 112 | L415 L416 V457 T459 V532 | L415-M465 CarbonylContact O-C 3.24Å; L415-M465 VanDerWaalsContact O-CA 3.32Å; L415-M465 WeakPolarHBondContact O-CA 3.48Å; L416-M465 HydrophobicContact CD1-CE 3.9Å; L416-M465 HydrophobicContact CD1-CG 3.92Å; L416-M465 HydrophobicContact CD1-SD 4.48Å; L416-M465 HydrophobicContact CD2-CE 3.8Å; L416-M465 HydrophobicContact CG-CB 4.38Å; L416-M465 HydrophobicContact CG-CE 3.85Å; L416-M465 HydrophobicContact CG-CG 4.22Å; V457-M465 HydrophobicContact CB-CB 4.12Å; V457-M465 HydrophobicContact CB-CG 3.88Å; V457-M465 HydrophobicContact CB-SD 3.97Å; V457-M465 HydrophobicContact CG1-CG 4.42Å; V457-M465 HydrophobicContact CG1-SD 3.82Å; V457-M465 HydrophobicContact CG2-CG 4.24Å; V457-M465 HydrophobicContact CG2-SD 4.45Å; V457-M465 PolarHBondContact N-O 3.43Å; T459-M465 HydrophobicContact CG2-CB 3.35Å; T459-M465 HydrophobicContact CG2-CE 3.61Å; T459-M465 HydrophobicContact CG2-CG 4.27Å; T459-M465 HydrophobicContact CG2-SD 4.05Å; M465-V532 HydrophobicContact CE-CG1 4.19Å |
| 466 | I | 89.5 | Confident | 82.8 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 140.7 | 178.5 | -45.7 | 172.7 | 0 | 0 | 0 | 108.7 | L414 L415 T449 V454 Y455 Y464 I481 M484 M488 | L414-I466 CarbonylContact C-O 3.58Å; L414-I466 VanDerWaalsContact CA-O 3.29Å; L414-I466 WeakPolarHBondContact CA-O 3.27Å; L415-I466 HydrophobicContact CB-CB 4.35Å; L415-I466 HydrophobicContact CD2-CD1 3.99Å; L415-I466 HydrophobicContact CD2-CG1 4.37Å; L415-I466 PolarHBondContact N-O 2.88Å; L415-I466 PolarHBondContact O-N 3.13Å; T449-I466 HydrophobicContact CG2-CD1 4.25Å; T449-I466 HydrophobicContact CG2-CG2 4.48Å; V454-I466 HydrophobicContact CB-CG2 3.5Å; V454-I466 HydrophobicContact CG2-CG2 3.37Å; Y455-I466 CarbonylContact O-C 3.49Å; Y455-I466 WeakPolarHBondContact O-CA 3.33Å; Y455-I466 WeakPolarHBondContact O-CG2 3.41Å; Y464-I466 HydrophobicContact CD1-CD1 3.81Å; Y464-I466 HydrophobicContact CD1-CG1 3.61Å; Y464-I466 HydrophobicContact CE1-CD1 3.41Å; Y464-I466 VanDerWaalsContact CE1-CD1 3.41Å; Y464-I466 HydrophobicContact CE1-CG1 3.34Å; I466-I481 HydrophobicContact CB-CD1 4.27Å; I466-I481 HydrophobicContact CG2-CD1 4.01Å; I466-M484 HydrophobicContact CD1-CE 3.49Å; I466-M484 VanDerWaalsContact CD1-CE 3.49Å; I466-M484 HydrophobicContact CD1-CG 3.72Å; I466-M484 HydrophobicContact CD1-SD 4.19Å; I466-M488 HydrophobicContact CD1-CE 4.32Å; I466-M488 HydrophobicContact CD1-SD 3.86Å |
| 467 | A | 89.7 | Confident | 82.8 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 145.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | V412 T413 L414 Y455 V457 L527 | V412-A467 HydrophobicContact CG1-CB 4.26Å; T413-A467 CarbonylContact O-C 3.58Å; T413-A467 VanDerWaalsContact O-CA 3.31Å; T413-A467 WeakPolarHBondContact O-CA 3.42Å; L414-A467 HydrophobicContact CD2-CB 3.47Å; L414-A467 VanDerWaalsContact CD2-CB 3.47Å; Y455-A467 PolarHBondContact N-O 3.4Å; Y455-A467 PolarHBondContact O-N 3.15Å; V457-A467 HydrophobicContact CG2-CB 3.76Å; A467-L527 HydrophobicContact CB-CD1 4.33Å; A467-L527 HydrophobicContact CB-CD2 4.14Å |
| 468 | S | 90.5 | Very high | 83 | Confident | 4 Ų | 4 | 40.7 Ų | 40.7 | 3% | 0.028 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 148.1 | 165.5 | -171.2 | 0 | 0 | 0 | 0 | 110.1 | V412 T413 C470 H477 F480 | V412-S468 CarbonylContact C-O 3.57Å; V412-S468 WeakPolarHBondContact CA-O 3.36Å; V412-S468 WeakPolarHBondContact CG1-O 3.37Å; T413-S468 PolarHBondContact N-O 3.4Å; T413-S468 PolarHBondContact O-N 3Å; S468-C470 VanDerWaalsContact C-N 3.31Å; S468-H477 WeakPolarHBondContact CB-O 3.17Å; S468-H477 WeakPolarHBondContact OG-CA 3.3Å; S468-H477 PolarHBondContact OG-O 2.91Å; S468-F480 WeakPolarHBondContact OG-CD2 3.38Å |
| 469 | G | 86.7 | Confident | 83.7 | Confident | 3 Ų | 3 | 34.8 Ų | 34.8 | 3% | 0.031 | 19% | 0.189 | C | C | . | . | S | Bend | trans | 89.8 | -7 | -167.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | F409 S472 | F409-G469 WeakPolarHBondContact CD1-O 3.42Å; G469-S472 CarbonylContact C-O 3.56Å; G469-S472 WeakPolarHBondContact CA-O 3.4Å |
| 470 | C | 86.5 | Confident | 84.6 | Confident | 4 Ų | 4 | 32.4 Ų | 32.4 | 3% | 0.027 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -146.9 | 148.6 | 168.5 | 67 | 0 | 0 | 0 | 0 | 110.5 | F409 V412 S468 S472 A515 L527 | F409-C470 HydrophobicContact CB-CB 4.5Å; F409-C470 HydrophobicContact CD1-CB 3.76Å; F409-C470 HydrophobicContact CD2-CB 3.82Å; F409-C470 HydrophobicContact CE1-CB 3.84Å; F409-C470 HydrophobicContact CE2-CB 3.9Å; F409-C470 HydrophobicContact CG-CB 3.76Å; F409-C470 HydrophobicContact CZ-CB 3.91Å; V412-C470 HydrophobicContact CG2-CB 4.19Å; S468-C470 VanDerWaalsContact C-N 3.31Å; C470-S472 VanDerWaalsContact C-N 3.3Å; C470-S472 PolarHBondContact N-O 2.98Å; C470-A515 HydrophobicContact CB-CB 4.3Å; C470-L527 VanDerWaalsContact SG-CD2 3.53Å |
| 471 | P | 80.2 | Confident | 85.6 | Confident | 25 Ų | 25 | 24.4 Ų | 24.4 | 16% | 0.162 | 13% | 0.133 | C | C | . | . | S | Bend | cis | -70.9 | -21.6 | -4.6 | 29.8 | -34.7 | 0 | 0 | 0 | 113 | P389 F409 | P389-P471 HydrophobicContact CB-CB 4.28Å; P389-P471 HydrophobicContact CB-CG 3.64Å; P389-P471 HydrophobicContact CG-CB 4.37Å; P389-P471 HydrophobicContact CG-CG 3.84Å; F409-P471 VanDerWaalsContact CE1-O 3.29Å; F409-P471 WeakPolarHBondContact CE1-O 3.4Å |
| 472 | S | 86.1 | Confident | 86.4 | Confident | 31 Ų | 31 | 21.9 Ų | 21.9 | 22% | 0.217 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -83.3 | 119.7 | 174.7 | -52.7 | 0 | 0 | 0 | 0 | 110.2 | G469 C470 | G469-S472 CarbonylContact C-O 3.56Å; G469-S472 WeakPolarHBondContact CA-O 3.4Å; C470-S472 VanDerWaalsContact C-N 3.3Å; C470-S472 PolarHBondContact N-O 2.98Å |
| 473 | R | 86.2 | Confident | 87.1 | Confident | 130 Ų | 130 | 20.4 Ų | 20.4 | 49% | 0.491 | 10% | 0.099 | S | C | . | . | trans | -70.4 | 135.4 | 176.5 | -63.8 | 177.7 | -173.2 | -97.7 | -7.9 | 109.8 | E407 T408 F409 | E407-R473 IonicContact OE2-NH2 3.33Å; E407-R473 PolarHBondContact OE2-NH2 2.73Å; T408-R473 PolarHBondContact O-NH1 3.46Å; T408-R473 PolarHBondContact O-NH2 3.47Å; F409-R473 HydrophobicContact CD1-CG 3.8Å; F409-R473 HydrophobicContact CE1-CG 3.78Å | ||
| 474 | T | 87.1 | Confident | 87.8 | Confident | 12 Ų | 12 | 19.8 Ų | 19.8 | 7% | 0.074 | 9% | 0.094 | C | C | . | . | trans | -154.9 | 142 | 176.6 | -178.8 | 0 | 0 | 0 | 0 | 109.8 | Y476 H477 F480 E606 I610 | T474-Y476 PolarHBondContact OG1-N 3.25Å; T474-H477 HydrophobicContact CG2-CB 4.15Å; T474-H477 PolarHBondContact O-CD2 3.45Å; T474-H477 VanDerWaalsContact O-CD2 3.23Å; T474-F480 HydrophobicContact CG2-CD2 3.87Å; T474-F480 HydrophobicContact CG2-CE2 3.78Å; T474-E606 WeakPolarHBondContact OG1-CG 3.41Å; T474-E606 PolarHBondContact OG1-OE1 3.38Å; T474-I610 HydrophobicContact CG2-CD1 4.3Å | ||
| 475 | E | 85.4 | Confident | 87.9 | Confident | 139 Ų | 139 | 19.6 Ų | 19.6 | 65% | 0.65 | 9% | 0.093 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -21.4 | 174.1 | -66.3 | -65.1 | 143.2 | 0 | 0 | 111.7 | H477 | E475-H477 PolarHBondContact O-N 3.45Š|
| 476 | Y | 88.3 | Confident | 87.9 | Confident | 45 Ų | 45 | 20.3 Ų | 20.3 | 18% | 0.176 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 21.3 | 179.5 | -61.4 | -89.5 | 0 | 0 | 0 | 112.6 | T474 A478 P479 F480 Y560 F599 E602 L603 E606 | T474-Y476 PolarHBondContact OG1-N 3.25Å; Y476-A478 VanDerWaalsContact C-N 3.29Å; Y476-A478 PolarHBondContact O-N 2.98Å; Y476-P479 WeakPolarHBondContact O-CD 3.34Å; Y476-F480 WeakPolarHBondContact O-CD2 3.38Å; Y476-F480 WeakPolarHBondContact O-CG 3.28Å; Y476-F480 PolarHBondContact O-N 3.36Å; Y476-Y560 HydrophobicContact CD1-CE1 4.41Å; Y476-Y560 HydrophobicContact CE1-CE1 4.19Å; Y476-F599 HydrophobicContact CD1-CE2 4.22Å; Y476-F599 HydrophobicContact CE1-CE2 4.2Å; Y476-E602 PolarHBondContact OH-OE2 3.03Å; Y476-L603 HydrophobicContact CD1-CD1 3.94Å; Y476-L603 HydrophobicContact CG-CD1 4.24Å; Y476-E606 HydrophobicContact CD2-CB 4.05Å; Y476-E606 HydrophobicContact CD2-CG 3.73Å; Y476-E606 HydrophobicContact CE2-CB 4.41Å; Y476-E606 HydrophobicContact CE2-CG 4.4Å; Y476-E606 HydrophobicContact CG-CG 4.43Å |
| 477 | H | 88.2 | Confident | 87.8 | Confident | 3 Ų | 3 | 20.8 Ų | 20.8 | 1% | 0.014 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -56.2 | -41.7 | -176.8 | 58.4 | 71.1 | 0 | 0 | 0 | 112.6 | N411 T413 S468 T474 E475 I481 | N411-H477 VanDerWaalsContact CB-NE2 3.34Å; N411-H477 WeakPolarHBondContact CB-NE2 3.17Å; T413-H477 WeakPolarHBondContact CB-O 3.44Å; T413-H477 VanDerWaalsContact OG1-C 3.22Å; T413-H477 PolarHBondContact OG1-ND1 3.45Å; T413-H477 PolarHBondContact OG1-O 3.18Å; S468-H477 WeakPolarHBondContact CB-O 3.17Å; S468-H477 WeakPolarHBondContact OG-CA 3.3Å; S468-H477 PolarHBondContact OG-O 2.91Å; T474-H477 HydrophobicContact CG2-CB 4.15Å; T474-H477 PolarHBondContact O-CD2 3.45Å; T474-H477 VanDerWaalsContact O-CD2 3.23Å; E475-H477 PolarHBondContact O-N 3.45Å; H477-I481 PolarHBondContact O-N 2.96Å |
| 478 | A | 88.4 | Confident | 87.6 | Confident | 1 Ų | 1 | 20.8 Ų | 20.8 | 1% | 0.008 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -73.8 | -49.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | T413 Y476 F480 I481 A482 V510 N556 L557 | T413-A478 WeakPolarHBondContact OG1-CA 3.27Å; T413-A478 PolarHBondContact OG1-N 2.85Å; Y476-A478 VanDerWaalsContact C-N 3.29Å; Y476-A478 PolarHBondContact O-N 2.98Å; A478-F480 PolarHBondContact O-N 2.94Å; A478-I481 PolarHBondContact O-N 3.04Å; A478-A482 PolarHBondContact O-N 3.36Å; A478-V510 HydrophobicContact CB-CG2 3.67Å; A478-N556 HydrophobicContact CB-CB 3.83Å; A478-L557 HydrophobicContact CB-CD2 4Å; A478-L557 HydrophobicContact CB-CG 4.26Å |
| 479 | P | 90.2 | Very high | 87.1 | Confident | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.006 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -51.7 | -45.7 | 169.4 | -34 | 38.2 | 0 | 0 | 0 | 115.3 | Y476 I481 A482 E483 L557 Y560 F599 L603 | Y476-P479 WeakPolarHBondContact O-CD 3.34Å; P479-I481 VanDerWaalsContact C-N 3.27Å; P479-I481 PolarHBondContact O-N 3.27Å; P479-A482 PolarHBondContact O-N 2.99Å; P479-A482 VanDerWaalsContact O-N 3.09Å; P479-E483 WeakPolarHBondContact O-CG 3.37Å; P479-E483 PolarHBondContact O-N 2.88Å; P479-L557 HydrophobicContact CG-CD2 4.46Å; P479-Y560 HydrophobicContact CG-CD2 3.84Å; P479-Y560 HydrophobicContact CG-CE2 3.34Å; P479-F599 HydrophobicContact CB-CE1 4.47Å; P479-F599 HydrophobicContact CB-CZ 3.7Å; P479-F599 HydrophobicContact CG-CE2 4.27Å; P479-F599 HydrophobicContact CG-CZ 3.67Å; P479-L603 HydrophobicContact CB-CD1 3.48Å; P479-L603 VanDerWaalsContact CB-CD1 3.48Å; P479-L603 HydrophobicContact CG-CD1 4.48Å |
| 480 | F | 91.5 | Very high | 86.8 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -58.7 | -40.8 | -179.6 | -73.4 | -30.5 | 0 | 0 | 0 | 112.9 | V454 S468 T474 Y476 A478 M484 L603 E606 R607 I610 | V454-F480 HydrophobicContact CG1-CB 3.94Å; S468-F480 WeakPolarHBondContact OG-CD2 3.38Å; T474-F480 HydrophobicContact CG2-CD2 3.87Å; T474-F480 HydrophobicContact CG2-CE2 3.78Å; Y476-F480 WeakPolarHBondContact O-CD2 3.38Å; Y476-F480 WeakPolarHBondContact O-CG 3.28Å; Y476-F480 PolarHBondContact O-N 3.36Å; A478-F480 PolarHBondContact O-N 2.94Å; F480-M484 WeakPolarHBondContact O-CB 3.34Å; F480-M484 PolarHBondContact O-N 3.03Å; F480-L603 HydrophobicContact CD1-CD1 3.69Å; F480-L603 HydrophobicContact CD1-CD2 4.28Å; F480-L603 HydrophobicContact CD1-CG 3.9Å; F480-L603 HydrophobicContact CE1-CD1 3.62Å; F480-L603 HydrophobicContact CE1-CD2 4.43Å; F480-L603 HydrophobicContact CE1-CG 3.65Å; F480-E606 HydrophobicContact CE2-CG 4.02Å; F480-E606 HydrophobicContact CZ-CB 3.9Å; F480-E606 HydrophobicContact CZ-CG 3.61Å; F480-R607 HydrophobicContact CD1-CG 4.29Å; F480-R607 HydrophobicContact CE1-CG 3.48Å; F480-R607 VanDerWaalsContact CE1-CG 3.48Å; F480-R607 HydrophobicContact CZ-CG 3.88Å; F480-I610 HydrophobicContact CE2-CD1 3.64Å; F480-I610 HydrophobicContact CZ-CD1 4.17Å |
| 481 | I | 90.4 | Very high | 86.5 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -73.7 | -35.9 | 175.5 | -69.8 | -65 | 0 | 0 | 0 | 112.1 | T413 L415 V454 I466 H477 A478 P479 M484 A485 I508 | T413-I481 HydrophobicContact CG2-CB 3.52Å; T413-I481 HydrophobicContact CG2-CG1 3.65Å; T413-I481 HydrophobicContact CG2-CG2 3.69Å; L415-I481 HydrophobicContact CB-CD1 4.15Å; L415-I481 HydrophobicContact CB-CG2 3.68Å; L415-I481 HydrophobicContact CD1-CG2 4.02Å; L415-I481 HydrophobicContact CG-CG2 4.44Å; V454-I481 HydrophobicContact CB-CD1 4.39Å; V454-I481 HydrophobicContact CG1-CD1 4.04Å; I466-I481 HydrophobicContact CB-CD1 4.27Å; I466-I481 HydrophobicContact CG2-CD1 4.01Å; H477-I481 PolarHBondContact O-N 2.96Å; A478-I481 PolarHBondContact O-N 3.04Å; P479-I481 VanDerWaalsContact C-N 3.27Å; P479-I481 PolarHBondContact O-N 3.27Å; I481-M484 PolarHBondContact O-N 3.45Å; I481-A485 WeakPolarHBondContact O-CB 3.41Å; I481-A485 PolarHBondContact O-N 3.41Å; I481-I508 HydrophobicContact CG2-CB 4.14Å; I481-I508 HydrophobicContact CG2-CD1 4.16Å; I481-I508 HydrophobicContact CG2-CG1 3.76Å; I481-I508 HydrophobicContact CG2-CG2 3.54Å |
| 482 | A | 88.4 | Confident | 86.1 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.3 | -46 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A478 P479 A485 L486 I508 L557 Y563 L584 | A478-A482 PolarHBondContact O-N 3.36Å; P479-A482 PolarHBondContact O-N 2.99Å; P479-A482 VanDerWaalsContact O-N 3.09Å; A482-A485 PolarHBondContact O-N 2.95Å; A482-L486 VanDerWaalsContact O-CG 3.32Å; A482-L486 WeakPolarHBondContact O-CG 3.47Å; A482-L486 PolarHBondContact O-N 3.07Å; A482-L486 VanDerWaalsContact O-N 3.09Å; A482-I508 HydrophobicContact CB-CD1 4.27Å; A482-L557 HydrophobicContact CB-CD1 4.23Å; A482-L557 HydrophobicContact CB-CD2 3.68Å; A482-Y563 HydrophobicContact CB-CD1 4.42Å; A482-Y563 HydrophobicContact CB-CE1 3.84Å; A482-Y563 HydrophobicContact CB-CE2 4.38Å; A482-L584 HydrophobicContact CB-CD2 4Å |
| 483 | E | 89.8 | Confident | 85.3 | Confident | 3 Ų | 3 | 31 Ų | 31 | 1% | 0.014 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.3 | -46.5 | 174.2 | -67.3 | -57.4 | 132.2 | 0 | 0 | 112.2 | P479 A485 L486 D487 Y563 R587 L603 | P479-E483 WeakPolarHBondContact O-CG 3.37Å; P479-E483 PolarHBondContact O-N 2.88Å; E483-A485 VanDerWaalsContact C-N 3.3Å; E483-A485 PolarHBondContact O-N 3.37Å; E483-L486 PolarHBondContact O-N 2.84Å; E483-D487 PolarHBondContact O-N 3.48Å; E483-Y563 WeakPolarHBondContact OE1-CE1 3.37Å; E483-Y563 PolarHBondContact OE1-OH 2.84Å; E483-R587 IonicContact OE1-NH1 3.89Å; E483-R587 IonicContact OE2-CZ 2.99Å; E483-R587 IonicContact OE2-NH1 2.61Å; E483-R587 PolarHBondContact OE2-NH1 3.41Å; E483-R587 IonicContact OE2-NH2 3.21Å; E483-L603 HydrophobicContact CG-CD2 3.67Å |
| 484 | M | 89.4 | Confident | 84.2 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -56.7 | -45 | 175.5 | -179.4 | 73.1 | -162.8 | 0 | 0 | 111.4 | L448 T449 H452 V454 I466 F480 I481 L486 D487 M488 | L448-M484 HydrophobicContact CB-CE 3.34Å; L448-M484 HydrophobicContact CB-SD 3.61Å; L448-M484 HydrophobicContact CD1-CE 4.11Å; L448-M484 HydrophobicContact CG-CE 4.39Å; T449-M484 HydrophobicContact CG2-CE 4.09Å; H452-M484 HydrophobicContact CB-CB 4.32Å; H452-M484 HydrophobicContact CB-SD 4.29Å; H452-M484 PolarHBondContact CD2-SD 3.28Å; V454-M484 HydrophobicContact CG2-CG 4.25Å; V454-M484 HydrophobicContact CG2-SD 3.96Å; I466-M484 HydrophobicContact CD1-CE 3.49Å; I466-M484 VanDerWaalsContact CD1-CE 3.49Å; I466-M484 HydrophobicContact CD1-CG 3.72Å; I466-M484 HydrophobicContact CD1-SD 4.19Å; F480-M484 WeakPolarHBondContact O-CB 3.34Å; F480-M484 PolarHBondContact O-N 3.03Å; I481-M484 PolarHBondContact O-N 3.45Å; M484-L486 PolarHBondContact O-N 3.26Å; M484-D487 PolarHBondContact O-N 3.33Å; M484-M488 HydrophobicContact CE-CE 4.45Å; M484-M488 HydrophobicContact CE-CG 3.48Å; M484-M488 VanDerWaalsContact CE-CG 3.48Å; M484-M488 HydrophobicContact CE-SD 3.56Å; M484-M488 VanDerWaalsContact CE-SD 3.56Å; M484-M488 HydrophobicContact CG-CG 4.27Å; M484-M488 HydrophobicContact CG-SD 3.89Å; M484-M488 WeakPolarHBondContact O-CB 3.26Å; M484-M488 WeakPolarHBondContact O-CG 3.45Å; M484-M488 PolarHBondContact O-N 3.4Å; M484-M488 HydrophobicContact SD-CG 4.43Å |
| 485 | A | 86.5 | Confident | 83.1 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.8 | -41.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L415 I481 A482 E483 M488 V489 I508 I547 | L415-A485 HydrophobicContact CD1-CB 3.44Å; L415-A485 VanDerWaalsContact CD1-CB 3.44Å; I481-A485 WeakPolarHBondContact O-CB 3.41Å; I481-A485 PolarHBondContact O-N 3.41Å; A482-A485 PolarHBondContact O-N 2.95Å; E483-A485 VanDerWaalsContact C-N 3.3Å; E483-A485 PolarHBondContact O-N 3.37Å; A485-M488 PolarHBondContact O-N 2.93Å; A485-V489 VanDerWaalsContact O-CG2 3.32Å; A485-V489 WeakPolarHBondContact O-CG2 3.37Å; A485-V489 PolarHBondContact O-N 3.39Å; A485-I508 HydrophobicContact CB-CD1 3.45Å; A485-I508 VanDerWaalsContact CB-CD1 3.45Å; A485-I508 HydrophobicContact CB-CG1 3.71Å; A485-I547 HydrophobicContact CB-CD1 3.77Å; A485-I547 HydrophobicContact CB-CG1 4.3Å; A485-I547 HydrophobicContact CB-CG2 4.17Å |
| 486 | L | 87.8 | Confident | 81.4 | Confident | 26 Ų | 26 | 32.3 Ų | 32.3 | 14% | 0.136 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.8 | -48.2 | 177.4 | -69.2 | 171.9 | 0 | 0 | 0 | 110.4 | A482 E483 M484 M488 V489 E490 I547 Y563 L584 R587 | A482-L486 VanDerWaalsContact O-CG 3.32Å; A482-L486 WeakPolarHBondContact O-CG 3.47Å; A482-L486 PolarHBondContact O-N 3.07Å; A482-L486 VanDerWaalsContact O-N 3.09Å; E483-L486 PolarHBondContact O-N 2.84Å; M484-L486 PolarHBondContact O-N 3.26Å; L486-M488 VanDerWaalsContact C-N 3.33Å; L486-M488 PolarHBondContact O-N 2.9Å; L486-V489 PolarHBondContact O-N 2.9Å; L486-E490 PolarHBondContact O-N 2.85Å; L486-I547 HydrophobicContact CD2-CD1 3.78Å; L486-I547 HydrophobicContact CG-CD1 4.31Å; L486-Y563 HydrophobicContact CD1-CE1 4.33Å; L486-L584 HydrophobicContact CD2-CD2 4.44Å; L486-L584 HydrophobicContact CD2-CG 4.46Å; L486-L584 HydrophobicContact CG-CD2 4.38Å; L486-R587 HydrophobicContact CD1-CB 4.3Å; L486-R587 HydrophobicContact CD1-CG 4.39Å |
| 487 | D | 87 | Confident | 79.5 | Confident | 10 Ų | 10 | 34.5 Ų | 34.5 | 5% | 0.053 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -67 | -32.8 | 179.1 | -76.9 | 18.5 | 0 | 0 | 0 | 112 | L448 K451 H452 E483 M484 S491 R587 | L448-D487 HydrophobicContact CD1-CB 4.24Å; L448-D487 HydrophobicContact CD2-CB 4.12Å; K451-D487 IonicContact NZ-OD2 3.78Å; K451-D487 PolarHBondContact NZ-OD2 3.19Å; H452-D487 IonicContact CE1-OD2 2.87Å; H452-D487 PolarHBondContact CE1-OD2 3.45Å; H452-D487 IonicContact NE2-OD2 3.14Å; H452-D487 PolarHBondContact NE2-OD2 3.4Å; E483-D487 PolarHBondContact O-N 3.48Å; M484-D487 PolarHBondContact O-N 3.33Å; D487-S491 WeakPolarHBondContact O-CB 3.13Å; D487-S491 PolarHBondContact O-N 3.29Å; D487-S491 PolarHBondContact O-OG 3.05Å; D487-R587 IonicContact OD1-NH2 3.95Å |
| 488 | M | 84.6 | Confident | 77.6 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.3 | -47.8 | 172.6 | -76.1 | 174.7 | 87.5 | 0 | 0 | 111.4 | L415 F445 L448 Y464 I466 M484 A485 L486 E490 S491 V492 L506 | L415-M488 HydrophobicContact CD1-SD 3.99Å; L415-M488 HydrophobicContact CD2-CE 3.95Å; L415-M488 HydrophobicContact CD2-SD 3.59Å; L415-M488 VanDerWaalsContact CD2-SD 3.59Å; L415-M488 HydrophobicContact CG-SD 4.48Å; F445-M488 HydrophobicContact CB-CE 4.32Å; F445-M488 HydrophobicContact CD1-CB 4.45Å; F445-M488 HydrophobicContact CD1-CE 3.73Å; F445-M488 HydrophobicContact CD1-CG 3.89Å; F445-M488 HydrophobicContact CD2-CE 3.58Å; F445-M488 HydrophobicContact CE1-CB 4.13Å; F445-M488 HydrophobicContact CE1-CE 3.82Å; F445-M488 HydrophobicContact CE1-CG 4.05Å; F445-M488 HydrophobicContact CE2-CE 3.68Å; F445-M488 HydrophobicContact CG-CE 3.61Å; F445-M488 HydrophobicContact CZ-CE 3.8Å; L448-M488 HydrophobicContact CD1-CB 4.45Å; L448-M488 HydrophobicContact CD1-CG 3.86Å; Y464-M488 HydrophobicContact CD1-CE 3.89Å; Y464-M488 HydrophobicContact CE1-CE 4.34Å; I466-M488 HydrophobicContact CD1-CE 4.32Å; I466-M488 HydrophobicContact CD1-SD 3.86Å; M484-M488 HydrophobicContact CE-CE 4.45Å; M484-M488 HydrophobicContact CE-CG 3.48Å; M484-M488 VanDerWaalsContact CE-CG 3.48Å; M484-M488 HydrophobicContact CE-SD 3.56Å; M484-M488 VanDerWaalsContact CE-SD 3.56Å; M484-M488 HydrophobicContact CG-CG 4.27Å; M484-M488 HydrophobicContact CG-SD 3.89Å; M484-M488 WeakPolarHBondContact O-CB 3.26Å; M484-M488 WeakPolarHBondContact O-CG 3.45Å; M484-M488 PolarHBondContact O-N 3.4Å; M484-M488 HydrophobicContact SD-CG 4.43Å; A485-M488 PolarHBondContact O-N 2.93Å; L486-M488 VanDerWaalsContact C-N 3.33Å; L486-M488 PolarHBondContact O-N 2.9Å; M488-E490 VanDerWaalsContact C-N 3.27Å; M488-E490 PolarHBondContact O-N 3.24Å; M488-S491 PolarHBondContact O-N 2.82Å; M488-V492 WeakPolarHBondContact O-CG2 3.47Å; M488-V492 PolarHBondContact O-N 2.79Å; M488-L506 HydrophobicContact CB-CD1 4.39Å; M488-L506 HydrophobicContact CB-CD2 3.45Å; M488-L506 VanDerWaalsContact CB-CD2 3.45Å; M488-L506 HydrophobicContact CE-CD2 3.49Å; M488-L506 VanDerWaalsContact CE-CD2 3.49Å; M488-L506 HydrophobicContact CG-CD2 4.12Å; M488-L506 HydrophobicContact SD-CD2 3.6Å |
| 489 | V | 80.9 | Confident | 75.6 | Confident | 25 Ų | 25 | 48.8 Ų | 48.8 | 15% | 0.152 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.3 | -40.9 | 177.4 | 172.8 | 0 | 0 | 0 | 0 | 110.7 | A485 L486 Q493 L506 I547 | A485-V489 VanDerWaalsContact O-CG2 3.32Å; A485-V489 WeakPolarHBondContact O-CG2 3.37Å; A485-V489 PolarHBondContact O-N 3.39Å; L486-V489 PolarHBondContact O-N 2.9Å; V489-Q493 WeakPolarHBondContact O-CG 3.35Å; V489-L506 HydrophobicContact CB-CD1 4.21Å; V489-L506 HydrophobicContact CG2-CB 3.95Å; V489-L506 HydrophobicContact CG2-CD1 3.42Å; V489-L506 VanDerWaalsContact CG2-CD1 3.42Å; V489-L506 HydrophobicContact CG2-CG 4.2Å; V489-I547 HydrophobicContact CG2-CD1 3.99Å; V489-I547 HydrophobicContact CG2-CG1 3.9Å |
| 490 | E | 80.5 | Confident | 73.7 | Confident | 122 Ų | 122 | 58.2 Ų | 58.2 | 57% | 0.57 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -67.4 | -45.9 | 176.5 | -173 | 175.6 | -171.4 | 0 | 0 | 112 | L486 M488 V492 Q493 | L486-E490 PolarHBondContact O-N 2.85Å; M488-E490 VanDerWaalsContact C-N 3.27Å; M488-E490 PolarHBondContact O-N 3.24Å; E490-V492 PolarHBondContact O-N 2.87Å; E490-Q493 WeakPolarHBondContact O-CB 3.34Å; E490-Q493 PolarHBondContact O-N 3.23Å; E490-Q493 VanDerWaalsContact O-N 3.15Å |
| 491 | S | 79.1 | Confident | 71.6 | Confident | 25 Ų | 25 | 66.6 Ų | 66.6 | 18% | 0.175 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -66.1 | -36.7 | -177.3 | -60.9 | 0 | 0 | 0 | 0 | 112.5 | D487 M488 Q493 T494 V495 | D487-S491 WeakPolarHBondContact O-CB 3.13Å; D487-S491 PolarHBondContact O-N 3.29Å; D487-S491 PolarHBondContact O-OG 3.05Å; M488-S491 PolarHBondContact O-N 2.82Å; S491-Q493 PolarHBondContact O-N 3.38Å; S491-T494 WeakPolarHBondContact O-CB 3.34Å; S491-T494 PolarHBondContact O-N 2.64Å; S491-T494 PolarHBondContact O-OG1 2.96Å; S491-V495 PolarHBondContact O-N 2.69Å |
| 492 | V | 72.9 | Confident | 69.6 | Low | 12 Ų | 12 | 68.8 Ų | 68.8 | 7% | 0.073 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.7 | -30.6 | 176.2 | 172.2 | 0 | 0 | 0 | 0 | 111.7 | F445 M488 E490 T494 V495 P502 E504 | F445-V492 HydrophobicContact CE1-CG2 3.62Å; F445-V492 HydrophobicContact CZ-CG2 3.55Å; M488-V492 WeakPolarHBondContact O-CG2 3.47Å; M488-V492 PolarHBondContact O-N 2.79Å; E490-V492 PolarHBondContact O-N 2.87Å; V492-T494 PolarHBondContact O-N 3.09Å; V492-V495 PolarHBondContact O-N 3.42Å; V492-P502 HydrophobicContact CG1-CB 4.33Å; V492-E504 HydrophobicContact CG1-CB 4.06Å; V492-E504 WeakPolarHBondContact CG1-OE2 3.31Å; V492-E504 WeakPolarHBondContact CG2-OE2 3.32Å |
| 493 | Q | 68.3 | Low | 67.6 | Low | 97 Ų | 97 | 70.7 Ų | 70.7 | 45% | 0.453 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -20.1 | 175.5 | -61.7 | 176.4 | 19.4 | 0 | 0 | 112.9 | V489 E490 S491 K496 | V489-Q493 WeakPolarHBondContact O-CG 3.35Å; E490-Q493 WeakPolarHBondContact O-CB 3.34Å; E490-Q493 PolarHBondContact O-N 3.23Å; E490-Q493 VanDerWaalsContact O-N 3.15Å; S491-Q493 PolarHBondContact O-N 3.38Å; Q493-K496 WeakPolarHBondContact O-CD 3.22Å; Q493-K496 WeakPolarHBondContact O-CE 3.16Å; Q493-K496 WeakPolarHBondContact O-CG 3.37Å |
| 494 | T | 64.6 | Low | 65.7 | Low | 109 Ų | 109 | 70.9 Ų | 70.9 | 67% | 0.669 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -28.8 | 176.8 | 73.6 | 0 | 0 | 0 | 0 | 113 | S491 V492 K496 | S491-T494 WeakPolarHBondContact O-CB 3.34Å; S491-T494 PolarHBondContact O-N 2.64Å; S491-T494 PolarHBondContact O-OG1 2.96Å; V492-T494 PolarHBondContact O-N 3.09Å; T494-K496 PolarHBondContact O-N 3.29Å |
| 495 | V | 62.4 | Low | 63.8 | Low | 42 Ų | 42 | 70.9 Ų | 70.9 | 26% | 0.255 | 36% | 0.364 | S | S | . | . | trans | -78.5 | 28.8 | 179.9 | -168.4 | 0 | 0 | 0 | 0 | 111.7 | L441 V444 S491 V492 D497 | L441-V495 HydrophobicContact CD2-CG1 4.13Å; V444-V495 HydrophobicContact CG2-CG2 3.88Å; S491-V495 PolarHBondContact O-N 2.69Å; V492-V495 PolarHBondContact O-N 3.42Å; V495-D497 VanDerWaalsContact C-N 3.32Å; V495-D497 PolarHBondContact O-N 3.43Å | ||
| 496 | K | 50.4 | Low | 62.1 | Low | 157 Ų | 157 | 71 Ų | 71 | 68% | 0.683 | 36% | 0.364 | S | S | * | . | trans | -63.6 | 90.8 | 172.9 | -77.3 | 175 | -178.2 | 177.2 | 0 | 109.7 | Q493 T494 | Q493-K496 WeakPolarHBondContact O-CD 3.22Å; Q493-K496 WeakPolarHBondContact O-CE 3.16Å; Q493-K496 WeakPolarHBondContact O-CG 3.37Å; T494-K496 PolarHBondContact O-N 3.29Å | ||
| 497 | D | 49.4 | Very low | 60.6 | Low | 91 Ų | 91 | 70.7 Ų | 70.7 | 49% | 0.487 | 36% | 0.361 | S | S | . | . | trans | -67.3 | 141 | 155.3 | -102.9 | -26.8 | 0 | 0 | 0 | 107.6 | K440 V495 S499 | K440-D497 IonicContact NZ-OD1 2.76Å; K440-D497 IonicContact NZ-OD2 3.83Å; K440-D497 PolarHBondContact NZ-OD2 2.83Å; V495-D497 VanDerWaalsContact C-N 3.32Å; V495-D497 PolarHBondContact O-N 3.43Å; D497-S499 PolarHBondContact O-N 3.47Å | ||
| 498 | E | 46.9 | Very low | 58.9 | Low | 209 Ų | 209 | 70.3 Ų | 70.3 | 98% | 0.977 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | 8 | -169.7 | -62.7 | -175.5 | 147.5 | 0 | 0 | 116 | ||
| 499 | S | 47.6 | Very low | 57.4 | Low | 96 Ų | 96 | 71.6 Ų | 71.6 | 67% | 0.671 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.2 | -12.4 | -158.9 | -148.8 | 0 | 0 | 0 | 0 | 118.1 | D497 | D497-S499 PolarHBondContact O-N 3.47Š|
| 500 | K | 49.7 | Very low | 56 | Low | 199 Ų | 199 | 70.5 Ų | 70.5 | 87% | 0.865 | 36% | 0.357 | S | S | * | . | S | Bend | trans | 175.6 | 168 | 168.7 | -99.2 | 144.1 | -157.5 | -174.6 | 0 | 112.4 | ||
| 501 | E | 48.1 | Very low | 54.7 | Low | 175 Ų | 175 | 64.8 Ų | 64.8 | 82% | 0.818 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -48.2 | 144.6 | 177.1 | -71.2 | -175.5 | 157.1 | 0 | 0 | 113.4 | P503 | E501-P503 WeakPolarHBondContact O-CD 3.32Š|
| 502 | P | 46.6 | Very low | 53.3 | Low | 46 Ų | 46 | 66 Ų | 66 | 30% | 0.299 | 34% | 0.339 | S | S | . | . | trans | -67 | 118.6 | -174.3 | 25.8 | -33.4 | 0 | 0 | 0 | 111.1 | V492 E504 Q545 | V492-P502 HydrophobicContact CG1-CB 4.33Å; P502-E504 VanDerWaalsContact C-N 3.31Å; P502-E504 PolarHBondContact O-N 3.05Å; P502-Q545 VanDerWaalsContact CG-NE2 3.32Å | ||
| 503 | P | 47.3 | Very low | 53.1 | Low | 40 Ų | 40 | 65.7 Ų | 65.7 | 26% | 0.26 | 34% | 0.337 | S | S | . | . | trans | -84.4 | 53.3 | -174.2 | 33.3 | -34.8 | 0 | 0 | 0 | 112.2 | V419 V420 I425 E501 | V419-P503 CarbonylContact C-O 3.11Å; V419-P503 VanDerWaalsContact C-O 3.24Å; V419-P503 WeakPolarHBondContact CA-O 3.38Å; V419-P503 HydrophobicContact CG1-CB 3.95Å; V419-P503 HydrophobicContact CG1-CG 3.81Å; V419-P503 WeakPolarHBondContact CG1-O 3.39Å; V420-P503 HydrophobicContact CB-CB 4.48Å; V420-P503 PolarHBondContact N-O 3.22Å; V420-P503 WeakPolarHBondContact O-CB 3.49Å; I425-P503 HydrophobicContact CD1-CB 3.69Å; I425-P503 HydrophobicContact CD1-CG 3.71Å; E501-P503 WeakPolarHBondContact O-CD 3.32Å | ||
| 504 | E | 50.6 | Low | 53.3 | Low | 7 Ų | 7 | 64 Ų | 64 | 3% | 0.033 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 137.9 | -172.7 | -151.5 | 155.7 | -179.3 | 0 | 0 | 116.9 | S417 F445 V492 P502 L506 Q545 | S417-E504 PolarHBondContact OG-OE1 3.49Å; F445-E504 WeakPolarHBondContact CE2-OE1 3.2Å; F445-E504 WeakPolarHBondContact CZ-OE1 3.35Å; V492-E504 HydrophobicContact CG1-CB 4.06Å; V492-E504 WeakPolarHBondContact CG1-OE2 3.31Å; V492-E504 WeakPolarHBondContact CG2-OE2 3.32Å; P502-E504 VanDerWaalsContact C-N 3.31Å; P502-E504 PolarHBondContact O-N 3.05Å; E504-L506 HydrophobicContact CG-CD1 4.22Å; E504-L506 HydrophobicContact CG-CG 4.5Å; E504-Q545 PolarHBondContact O-N 3.35Å |
| 505 | S | 48.7 | Very low | 54.1 | Low | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.007 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 120.7 | 175.2 | 70.9 | 0 | 0 | 0 | 0 | 109.7 | D418 R507 | D418-S505 PolarHBondContact N-O 2.58Å; D418-S505 VanDerWaalsContact N-O 3.15Å; D418-S505 PolarHBondContact O-N 3.2Å; D418-S505 VanDerWaalsContact O-N 3.15Å; D418-S505 PolarHBondContact O-OG 2.87Å; S505-R507 PolarHBondContact OG-NE 3.31Å; S505-R507 PolarHBondContact OG-NH2 2.66Å |
| 506 | L | 50.6 | Low | 54.9 | Low | 3 Ų | 3 | 56.8 Ų | 56.8 | 2% | 0.016 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 140.6 | -173.2 | -77.7 | 128.2 | 0 | 0 | 0 | 111.3 | L415 S417 M488 V489 E504 R546 I547 | L415-L506 HydrophobicContact CD2-CD2 4.42Å; S417-L506 WeakPolarHBondContact OG-CD2 3.37Å; S417-L506 WeakPolarHBondContact OG-CG 3.41Å; M488-L506 HydrophobicContact CB-CD1 4.39Å; M488-L506 HydrophobicContact CB-CD2 3.45Å; M488-L506 VanDerWaalsContact CB-CD2 3.45Å; M488-L506 HydrophobicContact CE-CD2 3.49Å; M488-L506 VanDerWaalsContact CE-CD2 3.49Å; M488-L506 HydrophobicContact CG-CD2 4.12Å; M488-L506 HydrophobicContact SD-CD2 3.6Å; V489-L506 HydrophobicContact CB-CD1 4.21Å; V489-L506 HydrophobicContact CG2-CB 3.95Å; V489-L506 HydrophobicContact CG2-CD1 3.42Å; V489-L506 VanDerWaalsContact CG2-CD1 3.42Å; V489-L506 HydrophobicContact CG2-CG 4.2Å; E504-L506 HydrophobicContact CG-CD1 4.22Å; E504-L506 HydrophobicContact CG-CG 4.5Å; L506-R546 CarbonylContact O-C 3.57Å; L506-I547 VanDerWaalsContact O-CA 3.28Å; L506-I547 WeakPolarHBondContact O-CA 3.49Å |
| 507 | R | 56.4 | Low | 56.2 | Low | 18 Ų | 18 | 49.5 Ų | 49.5 | 7% | 0.068 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 138.9 | -167.8 | -50.5 | 169.2 | -159.9 | -154.8 | 13.1 | 113.1 | L415 L416 S505 M538 E539 T541 S542 Q548 | L415-R507 VanDerWaalsContact CA-O 3.3Å; L415-R507 WeakPolarHBondContact CA-O 3.22Å; L415-R507 WeakPolarHBondContact CG-O 3.35Å; L416-R507 PolarHBondContact N-O 3.17Å; L416-R507 PolarHBondContact O-N 3.02Å; L416-R507 VanDerWaalsContact O-N 3.12Å; S505-R507 PolarHBondContact OG-NE 3.31Å; S505-R507 PolarHBondContact OG-NH2 2.66Å; R507-M538 VanDerWaalsContact CD-O 3.26Å; R507-M538 WeakPolarHBondContact CD-O 3.43Å; R507-M538 PolarHBondContact NH1-O 3.3Å; R507-E539 VanDerWaalsContact CD-CA 3.43Å; R507-E539 VanDerWaalsContact CZ-C 3.4Å; R507-E539 PolarHBondContact NH1-O 2.82Å; R507-E539 PolarHBondContact NH2-O 2.72Å; R507-T541 VanDerWaalsContact NH1-N 3.17Å; R507-S542 VanDerWaalsContact CD-CB 3.4Å; R507-Q548 HydrophobicContact CG-CB 4.44Å |
| 508 | I | 51.8 | Low | 57.5 | Low | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 138.9 | -174.3 | -59 | 172 | 0 | 0 | 0 | 112 | T413 L415 I481 A482 A485 I547 Q548 V549 L584 | T413-I508 HydrophobicContact CG2-CG2 3.89Å; L415-I508 HydrophobicContact CD1-CG1 4.11Å; I481-I508 HydrophobicContact CG2-CB 4.14Å; I481-I508 HydrophobicContact CG2-CD1 4.16Å; I481-I508 HydrophobicContact CG2-CG1 3.76Å; I481-I508 HydrophobicContact CG2-CG2 3.54Å; A482-I508 HydrophobicContact CB-CD1 4.27Å; A485-I508 HydrophobicContact CB-CD1 3.45Å; A485-I508 VanDerWaalsContact CB-CD1 3.45Å; A485-I508 HydrophobicContact CB-CG1 3.71Å; I508-I547 HydrophobicContact CB-CG2 4.25Å; I508-I547 HydrophobicContact CD1-CG2 3.45Å; I508-I547 VanDerWaalsContact CD1-CG2 3.45Å; I508-I547 HydrophobicContact CG1-CG2 3.55Å; I508-Q548 PolarHBondContact N-O 3.36Å; I508-V549 HydrophobicContact CB-CG2 4.42Å; I508-V549 WeakPolarHBondContact O-CA 3.36Å; I508-L584 HydrophobicContact CD1-CD2 3.74Å |
| 509 | R | 52.8 | Low | 58.8 | Low | 27 Ų | 27 | 40.2 Ų | 40.2 | 10% | 0.102 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 147.9 | 171.9 | 174.7 | 162.6 | -173.3 | -135 | 7.8 | 113.2 | T413 L414 S530 T531 T534 S535 M538 | T413-R509 CarbonylContact C-O 3.59Å; T413-R509 VanDerWaalsContact CA-O 3.26Å; T413-R509 WeakPolarHBondContact CA-O 3.02Å; T413-R509 WeakPolarHBondContact CG2-O 3.32Å; L414-R509 PolarHBondContact N-O 3.01Å; L414-R509 PolarHBondContact O-N 2.99Å; L414-R509 VanDerWaalsContact O-O 3.07Å; R509-S530 PolarHBondContact NH1-O 3.21Å; R509-S530 PolarHBondContact NH2-O 3.22Å; R509-T531 PolarHBondContact NH1-O 3.49Å; R509-T534 VanDerWaalsContact NH1-CA 3.33Å; R509-T534 PolarHBondContact NH1-OG1 2.79Å; R509-T534 VanDerWaalsContact NH2-CB 3.29Å; R509-T534 PolarHBondContact NH2-OG1 3.33Å; R509-S535 WeakPolarHBondContact CB-OG 3.2Å; R509-S535 WeakPolarHBondContact CD-OG 3.23Å; R509-M538 HydrophobicContact CB-SD 4.12Å; R509-M538 HydrophobicContact CG-SD 4.25Å |
| 510 | V | 51 | Low | 60 | Low | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.012 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 137.9 | 172 | 180 | 0 | 0 | 0 | 0 | 110.2 | V412 T413 A478 S550 K552 A553 | V412-V510 CarbonylContact O-C 3.59Å; V412-V510 WeakPolarHBondContact O-CA 3.49Å; T413-V510 HydrophobicContact CG2-CG2 3.52Å; T413-V510 WeakPolarHBondContact OG1-CG2 3.31Å; A478-V510 HydrophobicContact CB-CG2 3.67Å; V510-S550 PolarHBondContact N-OG 3.19Å; V510-K552 HydrophobicContact CB-CB 4.37Å; V510-A553 HydrophobicContact CB-CB 3.79Å; V510-A553 HydrophobicContact CG2-CB 3.38Å |
| 511 | G | 52.7 | Low | 61.4 | Low | 2 Ų | 2 | 42.5 Ų | 42.5 | 2% | 0.021 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 179.8 | 172.9 | 168.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | V412 T531 | V412-G511 CarbonylContact C-O 3.44Å; V412-G511 WeakPolarHBondContact CA-O 3.16Å; V412-G511 PolarHBondContact N-O 2.86Å; V412-G511 PolarHBondContact O-N 2.82Å; G511-T531 WeakPolarHBondContact CA-OG1 3.38Å; G511-T531 PolarHBondContact O-OG1 3.42Å |
| 512 | P | 50.9 | Low | 62.8 | Low | 52 Ų | 52 | 40.3 Ų | 40.3 | 34% | 0.338 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 138.6 | 177.5 | 28 | -34.3 | 0 | 0 | 0 | 111.5 | D410 T531 | D410-P512 VanDerWaalsContact O-CA 3.28Å; D410-P512 WeakPolarHBondContact O-CA 3.36Å; D410-P512 WeakPolarHBondContact O-CB 3.45Å; P512-T531 VanDerWaalsContact N-OG1 3.16Å; P512-T531 VanDerWaalsContact O-CB 3.23Å; P512-T531 WeakPolarHBondContact O-CB 3.26Å; P512-T531 PolarHBondContact O-OG1 2.65Å |
| 513 | A | 67.5 | Low | 64.4 | Low | 4 Ų | 4 | 40.3 Ų | 40.3 | 3% | 0.033 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 145.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | F409 V412 L527 | F409-A513 WeakPolarHBondContact CA-O 3.49Å; F409-A513 WeakPolarHBondContact CB-O 3.29Å; F409-A513 PolarHBondContact N-O 3.22Å; F409-A513 PolarHBondContact O-N 2.99Å; F409-A513 VanDerWaalsContact O-O 3.05Å; V412-A513 HydrophobicContact CB-CB 4.03Å; V412-A513 HydrophobicContact CG1-CB 4.3Å; V412-A513 HydrophobicContact CG2-CB 4.06Å; A513-L527 HydrophobicContact CB-CD2 3.85Å |
| 514 | V | 74.3 | Confident | 66.1 | Low | 61 Ų | 61 | 44.2 Ų | 44.2 | 37% | 0.37 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 129.9 | 167.1 | -175 | 0 | 0 | 0 | 0 | 106.8 | T408 L527 F528 | T408-V514 HydrophobicContact CG2-CG1 4.39Å; T408-V514 HydrophobicContact CG2-CG2 4.01Å; V514-L527 CarbonylContact O-C 3.16Å; V514-L527 WeakPolarHBondContact O-CA 3.32Å; V514-F528 PolarHBondContact N-O 3.35Å; V514-F528 PolarHBondContact O-N 3.2Å |
| 515 | A | 80.9 | Confident | 67.7 | Low | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.008 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 139.4 | 179 | 0 | 0 | 0 | 0 | 0 | 110.2 | E407 F409 C470 Y525 C526 L527 | E407-A515 PolarHBondContact N-O 3.35Å; E407-A515 PolarHBondContact O-N 2.74Å; E407-A515 VanDerWaalsContact O-O 3.12Å; F409-A515 HydrophobicContact CD2-CB 3.82Å; F409-A515 HydrophobicContact CE2-CB 3.73Å; C470-A515 HydrophobicContact CB-CB 4.3Å; A515-Y525 HydrophobicContact CB-CE1 3.78Å; A515-Y525 HydrophobicContact CB-CE2 4.43Å; A515-Y525 WeakPolarHBondContact CB-OH 3.38Å; A515-C526 WeakPolarHBondContact CA-O 3.29Å; A515-L527 HydrophobicContact CB-CD2 4.32Å; A515-L527 HydrophobicContact CB-CG 3.88Å |
| 516 | G | 78 | Confident | 69.4 | Low | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -177.4 | 167.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | C526 | G516-C526 PolarHBondContact N-O 3.23Å; G516-C526 PolarHBondContact O-N 2.84Å |
| 517 | V | 79.1 | Confident | 71 | Confident | 4 Ų | 4 | 46.1 Ų | 46.1 | 2% | 0.024 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 125.3 | 177.9 | 173.1 | 0 | 0 | 0 | 0 | 110.7 | I388 V392 L396 T405 P523 R524 Y525 | I388-V517 HydrophobicContact CG2-CG2 4.11Å; V392-V517 HydrophobicContact CB-CG2 4.48Å; V392-V517 HydrophobicContact CG1-CB 4.38Å; V392-V517 HydrophobicContact CG1-CG2 3.43Å; V392-V517 VanDerWaalsContact CG1-CG2 3.43Å; L396-V517 HydrophobicContact CD1-CB 4.42Å; L396-V517 HydrophobicContact CD1-CG1 4.15Å; L396-V517 HydrophobicContact CD1-CG2 4.2Å; T405-V517 PolarHBondContact OG1-N 3.41Å; V517-P523 HydrophobicContact CG1-CB 3.34Å; V517-R524 WeakPolarHBondContact CA-O 3.29Å; V517-Y525 HydrophobicContact CG2-CD2 4.01Å |
| 518 | V | 76.3 | Confident | 72.2 | Confident | 68 Ų | 68 | 50.4 Ų | 50.4 | 41% | 0.412 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 137.7 | 175.5 | -178.2 | 0 | 0 | 0 | 0 | 110.3 | P523 R524 F528 | V518-P523 WeakPolarHBondContact O-CA 3.41Å; V518-R524 PolarHBondContact N-O 2.66Å; V518-R524 PolarHBondContact O-N 3.14Å; V518-F528 HydrophobicContact CG2-CE2 3.54Å; V518-F528 HydrophobicContact CG2-CZ 3.72Å |
| 519 | G | 73.9 | Confident | 73.6 | Confident | 36 Ų | 36 | 52 Ų | 52 | 37% | 0.371 | 29% | 0.285 | S | S | . | . | trans | 93.8 | 140.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113 | P523 | G519-P523 WeakPolarHBondContact O-CA 3.49Š| ||
| 520 | V | 73.7 | Confident | 74.8 | Confident | 142 Ų | 142 | 54.3 Ų | 54.3 | 86% | 0.861 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -91.8 | -42.9 | 177.8 | -177.8 | 0 | 0 | 0 | 0 | 111.1 | ||
| 521 | K | 77.3 | Confident | 76.2 | Confident | 202 Ų | 202 | 54.2 Ų | 54.2 | 88% | 0.878 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -79.8 | -37.7 | -177.3 | -174.2 | 178.4 | -179.8 | -178.4 | 0 | 113 | ||
| 522 | M | 79.1 | Confident | 77.5 | Confident | 129 Ų | 129 | 55 Ų | 55 | 64% | 0.635 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -130.8 | 79.6 | 176.2 | -70.8 | -168.2 | -61.8 | 0 | 0 | 107.6 | R524 | M522-R524 PolarHBondContact O-N 2.74Š|
| 523 | P | 80.1 | Confident | 78.8 | Confident | 46 Ų | 46 | 56.5 Ų | 56.5 | 30% | 0.299 | 32% | 0.317 | S | S | . | . | trans | -63 | 124.9 | 177.8 | 23.8 | -32 | 0 | 0 | 0 | 110.1 | I388 V517 V518 G519 | I388-P523 HydrophobicContact CD1-CB 3.84Å; I388-P523 HydrophobicContact CD1-CG 3.78Å; V517-P523 HydrophobicContact CG1-CB 3.34Å; V518-P523 WeakPolarHBondContact O-CA 3.41Å; G519-P523 WeakPolarHBondContact O-CA 3.49Å | ||
| 524 | R | 81.5 | Confident | 79.2 | Confident | 121 Ų | 121 | 57.2 Ų | 57.2 | 46% | 0.457 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 132.6 | 174.4 | -68 | -179.6 | 176.1 | 170.2 | 0.1 | 109.6 | E458 V517 V518 M522 C526 | E458-R524 VanDerWaalsContact OE2-CD 3.22Å; E458-R524 WeakPolarHBondContact OE2-CD 3.24Å; E458-R524 IonicContact OE2-CZ 2.77Å; E458-R524 IonicContact OE2-NE 2.91Å; E458-R524 PolarHBondContact OE2-NE 3.27Å; E458-R524 VanDerWaalsContact OE2-NE 3.14Å; V517-R524 WeakPolarHBondContact CA-O 3.29Å; V518-R524 PolarHBondContact N-O 2.66Å; V518-R524 PolarHBondContact O-N 3.14Å; M522-R524 PolarHBondContact O-N 2.74Å; R524-C526 PolarHBondContact O-N 3.42Å |
| 525 | Y | 84.3 | Confident | 79.4 | Confident | 8 Ų | 8 | 54.4 Ų | 54.4 | 3% | 0.031 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 103.7 | 173 | -169.8 | -93.8 | 0 | 0 | 0 | 108.9 | P389 V392 Y455 A515 V517 | P389-Y525 HydrophobicContact CG-CD1 4.18Å; P389-Y525 HydrophobicContact CG-CD2 4.01Å; P389-Y525 HydrophobicContact CG-CE1 4.47Å; P389-Y525 HydrophobicContact CG-CE2 4.35Å; P389-Y525 HydrophobicContact CG-CG 3.91Å; V392-Y525 HydrophobicContact CG2-CD2 4.06Å; V392-Y525 HydrophobicContact CG2-CE2 3.76Å; Y455-Y525 HydrophobicContact CD1-CD1 4.1Å; Y455-Y525 HydrophobicContact CD1-CE1 4.27Å; Y455-Y525 AromaticContact CE1-CD1 3.38Å; Y455-Y525 HydrophobicContact CE1-CD1 3.38Å; Y455-Y525 AromaticContact CE1-CE1 3.99Å; Y455-Y525 HydrophobicContact CE1-CE1 3.99Å; Y455-Y525 HydrophobicContact CE1-CG 4.24Å; Y455-Y525 AromaticContact CZ-CD1 3.89Å; Y455-Y525 WeakPolarHBondContact OH-CB 3.35Å; A515-Y525 HydrophobicContact CB-CE1 3.78Å; A515-Y525 HydrophobicContact CB-CE2 4.43Å; A515-Y525 WeakPolarHBondContact CB-OH 3.38Å; V517-Y525 HydrophobicContact CG2-CD2 4.01Å |
| 526 | C | 84.8 | Confident | 79.3 | Confident | 30 Ų | 30 | 58.2 Ų | 58.2 | 20% | 0.203 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 153.3 | -174.2 | -64.7 | 0 | 0 | 0 | 0 | 110.4 | A515 G516 R524 F528 | A515-C526 WeakPolarHBondContact CA-O 3.29Å; G516-C526 PolarHBondContact N-O 3.23Å; G516-C526 PolarHBondContact O-N 2.84Å; R524-C526 PolarHBondContact O-N 3.42Å; C526-F528 HydrophobicContact CB-CD2 4.49Å; C526-F528 HydrophobicContact CB-CE2 3.59Å; C526-F528 HydrophobicContact CB-CZ 3.63Å |
| 527 | L | 84.9 | Confident | 79.2 | Confident | 13 Ų | 13 | 59.1 Ų | 59.1 | 7% | 0.068 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 142.3 | 168.4 | -69.7 | 92.5 | 0 | 0 | 0 | 110.9 | V412 L414 V457 A467 C470 A513 V514 A515 V532 | V412-L527 HydrophobicContact CG1-CD2 3.93Å; L414-L527 HydrophobicContact CD2-CD2 3.87Å; V457-L527 HydrophobicContact CB-CD1 4.06Å; V457-L527 HydrophobicContact CG1-CD1 3.51Å; V457-L527 HydrophobicContact CG2-CD1 3.31Å; A467-L527 HydrophobicContact CB-CD1 4.33Å; A467-L527 HydrophobicContact CB-CD2 4.14Å; C470-L527 VanDerWaalsContact SG-CD2 3.53Å; A513-L527 HydrophobicContact CB-CD2 3.85Å; V514-L527 CarbonylContact O-C 3.16Å; V514-L527 WeakPolarHBondContact O-CA 3.32Å; A515-L527 HydrophobicContact CB-CD2 4.32Å; A515-L527 HydrophobicContact CB-CG 3.88Å; L527-V532 HydrophobicContact CB-CG2 3.98Å |
| 528 | F | 82.1 | Confident | 79 | Confident | 108 Ų | 108 | 59.3 Ų | 59.3 | 47% | 0.474 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 144.6 | 178.1 | -58.3 | -79.5 | 0 | 0 | 0 | 110.4 | V514 V518 C526 | V514-F528 PolarHBondContact N-O 3.35Å; V514-F528 PolarHBondContact O-N 3.2Å; V518-F528 HydrophobicContact CG2-CE2 3.54Å; V518-F528 HydrophobicContact CG2-CZ 3.72Å; C526-F528 HydrophobicContact CB-CD2 4.49Å; C526-F528 HydrophobicContact CB-CE2 3.59Å; C526-F528 HydrophobicContact CB-CZ 3.63Å |
| 529 | G | 80.9 | Confident | 78.8 | Confident | 37 Ų | 37 | 57.5 Ų | 57.5 | 38% | 0.381 | 31% | 0.314 | S | S | . | . | S | Bend | trans | 137 | 174.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | T531 V532 | G529-T531 PolarHBondContact O-N 3.15Å; G529-V532 PolarHBondContact O-N 3.03Å |
| 530 | S | 77.2 | Confident | 78.8 | Confident | 75 Ų | 75 | 61.7 Ų | 61.7 | 52% | 0.524 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -56.2 | -23.5 | 178.1 | 56.3 | 0 | 0 | 0 | 0 | 112.6 | R509 V532 T534 | R509-S530 PolarHBondContact NH1-O 3.21Å; R509-S530 PolarHBondContact NH2-O 3.22Å; S530-V532 VanDerWaalsContact C-N 3.33Å; S530-V532 PolarHBondContact O-N 2.83Å; S530-T534 PolarHBondContact O-N 3.24Å; S530-T534 PolarHBondContact O-OG1 2.87Å |
| 531 | T | 80.3 | Confident | 78.9 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.1 | -32.3 | 178.1 | -56.1 | 0 | 0 | 0 | 0 | 112.6 | L414 R509 G511 P512 G529 S535 | L414-T531 HydrophobicContact CD1-CG2 3.92Å; L414-T531 HydrophobicContact CG-CG2 4.13Å; R509-T531 PolarHBondContact NH1-O 3.49Å; G511-T531 WeakPolarHBondContact CA-OG1 3.38Å; G511-T531 PolarHBondContact O-OG1 3.42Å; P512-T531 VanDerWaalsContact N-OG1 3.16Å; P512-T531 VanDerWaalsContact O-CB 3.23Å; P512-T531 WeakPolarHBondContact O-CB 3.26Å; P512-T531 PolarHBondContact O-OG1 2.65Å; G529-T531 PolarHBondContact O-N 3.15Å; T531-S535 WeakPolarHBondContact O-CB 3.46Å; T531-S535 PolarHBondContact O-N 2.88Å; T531-S535 PolarHBondContact O-OG 3.49Å |
| 532 | V | 81.2 | Confident | 78.7 | Confident | 18 Ų | 18 | 48.5 Ų | 48.5 | 11% | 0.109 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -75.2 | -52.5 | 175.5 | -179 | 0 | 0 | 0 | 0 | 110.5 | L414 M465 L527 G529 S530 T534 S535 E536 | L414-V532 HydrophobicContact CD1-CG2 3.86Å; M465-V532 HydrophobicContact CE-CG1 4.19Å; L527-V532 HydrophobicContact CB-CG2 3.98Å; G529-V532 PolarHBondContact O-N 3.03Å; S530-V532 VanDerWaalsContact C-N 3.33Å; S530-V532 PolarHBondContact O-N 2.83Å; V532-T534 PolarHBondContact O-N 3.21Å; V532-S535 WeakPolarHBondContact O-CA 3.45Å; V532-S535 VanDerWaalsContact O-CB 3.32Å; V532-S535 WeakPolarHBondContact O-CB 3.32Å; V532-S535 PolarHBondContact O-N 3.28Å; V532-E536 PolarHBondContact O-N 3.02Å |
| 533 | T | 78.3 | Confident | 78.6 | Confident | 84 Ų | 84 | 44.9 Ų | 44.9 | 52% | 0.515 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -59.9 | -40.9 | -174 | -51.3 | 0 | 0 | 0 | 0 | 113.8 | L537 | T533-L537 PolarHBondContact O-N 3.07Å; T533-L537 VanDerWaalsContact O-N 3.16Å |
| 534 | T | 75 | Confident | 78.2 | Confident | 18 Ų | 18 | 46.5 Ų | 46.5 | 11% | 0.11 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -80.3 | -19.5 | 175.6 | -19.2 | 0 | 0 | 0 | 0 | 112.6 | R509 S530 V532 L537 M538 L573 I579 | R509-T534 VanDerWaalsContact NH1-CA 3.33Å; R509-T534 PolarHBondContact NH1-OG1 2.79Å; R509-T534 VanDerWaalsContact NH2-CB 3.29Å; R509-T534 PolarHBondContact NH2-OG1 3.33Å; S530-T534 PolarHBondContact O-N 3.24Å; S530-T534 PolarHBondContact O-OG1 2.87Å; V532-T534 PolarHBondContact O-N 3.21Å; T534-L537 HydrophobicContact CG2-CD2 4.22Å; T534-L537 PolarHBondContact O-N 3.23Å; T534-M538 WeakPolarHBondContact O-CB 3.37Å; T534-M538 VanDerWaalsContact O-CG 3.25Å; T534-M538 WeakPolarHBondContact O-CG 3.3Å; T534-M538 PolarHBondContact O-N 3.23Å; T534-L573 HydrophobicContact CG2-CD2 3.59Å; T534-I579 HydrophobicContact CG2-CD1 3.57Å |
| 535 | S | 79.1 | Confident | 77.8 | Confident | 3 Ų | 3 | 45.4 Ų | 45.4 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.5 | -43.8 | 169.5 | -70.6 | 0 | 0 | 0 | 0 | 110.5 | L416 R509 T531 V532 L537 M538 E539 | L416-S535 VanDerWaalsContact CD1-CB 3.49Å; R509-S535 WeakPolarHBondContact CB-OG 3.2Å; R509-S535 WeakPolarHBondContact CD-OG 3.23Å; T531-S535 WeakPolarHBondContact O-CB 3.46Å; T531-S535 PolarHBondContact O-N 2.88Å; T531-S535 PolarHBondContact O-OG 3.49Å; V532-S535 WeakPolarHBondContact O-CA 3.45Å; V532-S535 VanDerWaalsContact O-CB 3.32Å; V532-S535 WeakPolarHBondContact O-CB 3.32Å; V532-S535 PolarHBondContact O-N 3.28Å; S535-L537 VanDerWaalsContact C-N 3.34Å; S535-L537 PolarHBondContact O-N 3.25Å; S535-M538 CarbonylContact O-C 3.34Å; S535-M538 WeakPolarHBondContact O-CB 3.46Å; S535-M538 PolarHBondContact O-N 2.72Å; S535-E539 VanDerWaalsContact O-CB 3.31Å; S535-E539 WeakPolarHBondContact O-CB 3.49Å; S535-E539 PolarHBondContact O-N 3.27Å |
| 536 | E | 78 | Confident | 77.5 | Confident | 80 Ų | 80 | 51.2 Ų | 51.2 | 37% | 0.374 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -58.7 | -43.1 | 172.2 | -66.9 | 170.7 | 177.6 | 0 | 0 | 111.6 | L416 V532 M538 E539 Q540 | L416-E536 HydrophobicContact CD2-CG 4.16Å; V532-E536 PolarHBondContact O-N 3.02Å; E536-M538 PolarHBondContact O-N 2.92Å; E536-E539 CarbonylContact O-C 3.55Å; E536-E539 VanDerWaalsContact O-C 3.29Å; E536-E539 VanDerWaalsContact O-CA 3.25Å; E536-E539 WeakPolarHBondContact O-CA 3.32Å; E536-E539 WeakPolarHBondContact O-CB 3.38Å; E536-E539 PolarHBondContact O-N 3.42Å; E536-Q540 PolarHBondContact O-N 2.82Å |
| 537 | L | 75.9 | Confident | 77.5 | Confident | 20 Ų | 20 | 50.1 Ų | 50.1 | 11% | 0.105 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.4 | -41.9 | 175.4 | 179.5 | 71.5 | 0 | 0 | 0 | 112.4 | T533 T534 S535 E539 Q540 T541 L573 | T533-L537 PolarHBondContact O-N 3.07Å; T533-L537 VanDerWaalsContact O-N 3.16Å; T534-L537 HydrophobicContact CG2-CD2 4.22Å; T534-L537 PolarHBondContact O-N 3.23Å; S535-L537 VanDerWaalsContact C-N 3.34Å; S535-L537 PolarHBondContact O-N 3.25Å; L537-E539 PolarHBondContact O-N 2.77Å; L537-Q540 PolarHBondContact O-N 2.9Å; L537-T541 PolarHBondContact O-N 2.9Å; L537-T541 PolarHBondContact O-OG1 2.92Å; L537-T541 VanDerWaalsContact O-OG1 3.08Å; L537-L573 HydrophobicContact CD2-CB 4.26Å; L537-L573 HydrophobicContact CD2-CD2 3.22Å; L537-L573 HydrophobicContact CD2-CG 4.11Å |
| 538 | M | 74.9 | Confident | 77.4 | Confident | 8 Ų | 8 | 49.5 Ų | 49.5 | 4% | 0.039 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.9 | -32.8 | 173.1 | -75.2 | 177.3 | 68.9 | 0 | 0 | 110.4 | R507 R509 T534 S535 E536 Q540 T541 S542 Q548 V549 | R507-M538 VanDerWaalsContact CD-O 3.26Å; R507-M538 WeakPolarHBondContact CD-O 3.43Å; R507-M538 PolarHBondContact NH1-O 3.3Å; R509-M538 HydrophobicContact CB-SD 4.12Å; R509-M538 HydrophobicContact CG-SD 4.25Å; T534-M538 WeakPolarHBondContact O-CB 3.37Å; T534-M538 VanDerWaalsContact O-CG 3.25Å; T534-M538 WeakPolarHBondContact O-CG 3.3Å; T534-M538 PolarHBondContact O-N 3.23Å; S535-M538 CarbonylContact O-C 3.34Å; S535-M538 WeakPolarHBondContact O-CB 3.46Å; S535-M538 PolarHBondContact O-N 2.72Å; E536-M538 PolarHBondContact O-N 2.92Å; M538-Q540 VanDerWaalsContact C-N 3.25Å; M538-Q540 PolarHBondContact O-N 2.79Å; M538-T541 PolarHBondContact O-N 3.24Å; M538-T541 PolarHBondContact O-OG1 2.9Å; M538-S542 PolarHBondContact O-N 3Å; M538-Q548 HydrophobicContact CE-CB 4.48Å; M538-Q548 HydrophobicContact CE-CG 3.87Å; M538-V549 VanDerWaalsContact CE-C 3.45Å |
| 539 | E | 72.8 | Confident | 77.6 | Confident | 30 Ų | 30 | 44.4 Ų | 44.4 | 14% | 0.14 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -69.6 | -7.6 | 170.5 | 179.1 | -89.4 | 147.3 | 0 | 0 | 115.6 | L416 D418 R507 S535 E536 L537 | L416-E539 HydrophobicContact CB-CB 4.17Å; L416-E539 HydrophobicContact CB-CG 4.23Å; L416-E539 HydrophobicContact CD2-CB 4.11Å; L416-E539 HydrophobicContact CD2-CG 4.39Å; D418-E539 HydrophobicContact CB-CG 3.95Å; D418-E539 WeakPolarHBondContact CB-OE1 3.21Å; R507-E539 VanDerWaalsContact CD-CA 3.43Å; R507-E539 VanDerWaalsContact CZ-C 3.4Å; R507-E539 PolarHBondContact NH1-O 2.82Å; R507-E539 PolarHBondContact NH2-O 2.72Å; S535-E539 VanDerWaalsContact O-CB 3.31Å; S535-E539 WeakPolarHBondContact O-CB 3.49Å; S535-E539 PolarHBondContact O-N 3.27Å; E536-E539 CarbonylContact O-C 3.55Å; E536-E539 VanDerWaalsContact O-C 3.29Å; E536-E539 VanDerWaalsContact O-CA 3.25Å; E536-E539 WeakPolarHBondContact O-CA 3.32Å; E536-E539 WeakPolarHBondContact O-CB 3.38Å; E536-E539 PolarHBondContact O-N 3.42Å; L537-E539 PolarHBondContact O-N 2.77Å |
| 540 | Q | 72.5 | Confident | 77.8 | Confident | 124 Ų | 124 | 42.9 Ų | 42.9 | 58% | 0.579 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -101.4 | -16.6 | 167.5 | -68.3 | 172.6 | 9.8 | 0 | 0 | 114.5 | E536 L537 M538 | E536-Q540 PolarHBondContact O-N 2.82Å; L537-Q540 PolarHBondContact O-N 2.9Å; M538-Q540 VanDerWaalsContact C-N 3.25Å; M538-Q540 PolarHBondContact O-N 2.79Å |
| 541 | T | 77.5 | Confident | 78.1 | Confident | 47 Ų | 47 | 41.4 Ų | 41.4 | 29% | 0.288 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -115.2 | 2.7 | -165.9 | 56.1 | 0 | 0 | 0 | 0 | 115.8 | R507 L537 M538 K568 V571 | R507-T541 VanDerWaalsContact NH1-N 3.17Å; L537-T541 PolarHBondContact O-N 2.9Å; L537-T541 PolarHBondContact O-OG1 2.92Å; L537-T541 VanDerWaalsContact O-OG1 3.08Å; M538-T541 PolarHBondContact O-N 3.24Å; M538-T541 PolarHBondContact O-OG1 2.9Å; T541-K568 PolarHBondContact O-NZ 3.26Å; T541-V571 HydrophobicContact CG2-CG1 3.53Å; T541-V571 WeakPolarHBondContact OG1-CG1 3.07Å |
| 542 | S | 73 | Confident | 78.3 | Confident | 20 Ų | 20 | 46.8 Ų | 46.8 | 14% | 0.14 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -84.7 | 170.8 | -179.6 | -159.9 | 0 | 0 | 0 | 0 | 113 | R507 M538 R546 Q548 W583 | R507-S542 VanDerWaalsContact CD-CB 3.4Å; M538-S542 PolarHBondContact O-N 3Å; S542-R546 PolarHBondContact OG-O 2.85Å; S542-Q548 PolarHBondContact OG-OE1 2.89Å; S542-W583 WeakPolarHBondContact OG-CZ3 3.14Å |
| 543 | S | 75.8 | Confident | 78.4 | Confident | 53 Ų | 53 | 46 Ų | 46 | 37% | 0.371 | 24% | 0.237 | S | C | . | . | P | Polyproline II helix | trans | -102.5 | 148.9 | 175 | -55.7 | 0 | 0 | 0 | 0 | 110.2 | R546 | S543-R546 PolarHBondContact O-N 3.09Š|
| 544 | P | 73.2 | Confident | 78.7 | Confident | 80 Ų | 80 | 45.3 Ų | 45.3 | 52% | 0.519 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | 144 | 175.2 | -26.1 | 35 | 0 | 0 | 0 | 112.9 | V420 R546 | V420-P544 HydrophobicContact CG1-CG 4.5Å; V420-P544 HydrophobicContact CG2-CB 4.42Å; V420-P544 HydrophobicContact CG2-CG 4.35Å; P544-R546 PolarHBondContact O-N 3.34Å |
| 545 | Q | 71.6 | Confident | 79.2 | Confident | 98 Ų | 98 | 49.6 Ų | 49.6 | 46% | 0.458 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | 18.1 | -179.7 | -61.5 | -171.4 | -21.7 | 0 | 0 | 116.7 | P502 E504 | P502-Q545 VanDerWaalsContact CG-NE2 3.32Å; E504-Q545 PolarHBondContact O-N 3.35Å |
| 546 | R | 78.4 | Confident | 79.6 | Confident | 130 Ų | 130 | 50.7 Ų | 50.7 | 49% | 0.491 | 25% | 0.251 | S | S | . | . | trans | -123.3 | 135.1 | 179.1 | -67.6 | -111.2 | -176.3 | -138.3 | -4.1 | 111.2 | L506 S542 S543 P544 Q548 W583 N585 | L506-R546 CarbonylContact O-C 3.57Å; S542-R546 PolarHBondContact OG-O 2.85Å; S543-R546 PolarHBondContact O-N 3.09Å; P544-R546 PolarHBondContact O-N 3.34Å; R546-Q548 PolarHBondContact O-N 3.38Å; R546-W583 HydrophobicContact CB-CD2 4.37Å; R546-W583 HydrophobicContact CB-CE3 3.62Å; R546-W583 HydrophobicContact CB-CH2 3.92Å; R546-W583 HydrophobicContact CB-CZ3 3.37Å; R546-N585 PolarHBondContact NH1-OD1 3.02Å | ||
| 547 | I | 84.6 | Confident | 80 | Confident | 7 Ų | 7 | 46.9 Ų | 46.9 | 4% | 0.036 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 103.5 | -177.6 | -55.5 | 166.3 | 0 | 0 | 0 | 110.3 | A485 L486 V489 L506 I508 V549 W583 L584 | A485-I547 HydrophobicContact CB-CD1 3.77Å; A485-I547 HydrophobicContact CB-CG1 4.3Å; A485-I547 HydrophobicContact CB-CG2 4.17Å; L486-I547 HydrophobicContact CD2-CD1 3.78Å; L486-I547 HydrophobicContact CG-CD1 4.31Å; V489-I547 HydrophobicContact CG2-CD1 3.99Å; V489-I547 HydrophobicContact CG2-CG1 3.9Å; L506-I547 VanDerWaalsContact O-CA 3.28Å; L506-I547 WeakPolarHBondContact O-CA 3.49Å; I508-I547 HydrophobicContact CB-CG2 4.25Å; I508-I547 HydrophobicContact CD1-CG2 3.45Å; I508-I547 VanDerWaalsContact CD1-CG2 3.45Å; I508-I547 HydrophobicContact CG1-CG2 3.55Å; I547-V549 HydrophobicContact CG2-CG2 4.32Å; I547-W583 WeakPolarHBondContact O-CA 3.21Å; I547-L584 HydrophobicContact CB-CB 4.01Å; I547-L584 HydrophobicContact CD1-CD2 4.18Å; I547-L584 HydrophobicContact CD1-CG 4.46Å; I547-L584 HydrophobicContact CG2-CB 3.99Å; I547-L584 HydrophobicContact CG2-CD2 4.13Å; I547-L584 PolarHBondContact O-N 3.29Å |
| 548 | Q | 83.7 | Confident | 80.5 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 134.7 | 176.1 | -171.6 | 175.5 | -22.6 | 0 | 0 | 111.1 | R507 I508 M538 S542 R546 K568 Y582 W583 | R507-Q548 HydrophobicContact CG-CB 4.44Å; I508-Q548 PolarHBondContact N-O 3.36Å; M538-Q548 HydrophobicContact CE-CB 4.48Å; M538-Q548 HydrophobicContact CE-CG 3.87Å; S542-Q548 PolarHBondContact OG-OE1 2.89Å; R546-Q548 PolarHBondContact O-N 3.38Å; Q548-K568 HydrophobicContact CG-CD 4.22Å; Q548-Y582 CarbonylContact C-O 3.59Å; Q548-W583 HydrophobicContact CB-CE3 4.16Å; Q548-W583 HydrophobicContact CB-CH2 4.46Å; Q548-W583 HydrophobicContact CB-CZ3 3.7Å; Q548-W583 HydrophobicContact CG-CZ3 4.38Å |
| 549 | V | 85.4 | Confident | 81 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 133.6 | -173.7 | -176.2 | 0 | 0 | 0 | 0 | 110.7 | I508 M538 I547 A553 L557 L565 Y582 L584 | I508-V549 HydrophobicContact CB-CG2 4.42Å; I508-V549 WeakPolarHBondContact O-CA 3.36Å; M538-V549 VanDerWaalsContact CE-C 3.45Å; I547-V549 HydrophobicContact CG2-CG2 4.32Å; V549-A553 HydrophobicContact CG1-CB 3.36Å; V549-L557 HydrophobicContact CG1-CD1 4.24Å; V549-L565 HydrophobicContact CB-CD2 4.49Å; V549-L565 HydrophobicContact CG1-CD2 4.39Å; V549-L565 HydrophobicContact CG2-CD2 4.26Å; V549-Y582 PolarHBondContact N-O 2.67Å; V549-Y582 PolarHBondContact O-N 2.55Å; V549-L584 HydrophobicContact CG2-CB 3.64Å |
| 550 | S | 84.9 | Confident | 81.5 | Confident | 6 Ų | 6 | 56.8 Ų | 56.8 | 4% | 0.042 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 161.5 | 176.2 | 70 | 0 | 0 | 0 | 0 | 112 | V510 K552 A553 Y554 | V510-S550 PolarHBondContact N-OG 3.19Å; S550-K552 PolarHBondContact O-N 3.01Å; S550-A553 WeakPolarHBondContact O-CA 3.43Å; S550-A553 WeakPolarHBondContact O-CB 3.44Å; S550-A553 PolarHBondContact O-N 3.42Å; S550-A553 VanDerWaalsContact OG-CB 3.29Å; S550-A553 WeakPolarHBondContact OG-CB 3.37Å; S550-A553 PolarHBondContact OG-N 3.03Å; S550-Y554 PolarHBondContact O-N 3.28Å |
| 551 | V | 84.9 | Confident | 81.9 | Confident | 44 Ų | 44 | 53.8 Ų | 53.8 | 27% | 0.267 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -52.5 | -49.9 | 176.6 | -172.9 | 0 | 0 | 0 | 0 | 113 | A553 Y554 E555 I579 L580 Y582 | V551-A553 PolarHBondContact O-N 2.87Å; V551-Y554 WeakPolarHBondContact O-CB 3.12Å; V551-Y554 PolarHBondContact O-N 3.44Å; V551-E555 WeakPolarHBondContact O-CG 3.45Å; V551-E555 PolarHBondContact O-N 3.14Å; V551-I579 HydrophobicContact CG2-CG2 4.21Å; V551-L580 HydrophobicContact CG2-CB 4.04Å; V551-L580 WeakPolarHBondContact CG2-O 3.19Å; V551-Y582 HydrophobicContact CG2-CE2 4.46Å |
| 552 | K | 83.3 | Confident | 82.3 | Confident | 113 Ų | 113 | 51.7 Ų | 51.7 | 49% | 0.491 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.6 | -30.3 | 179.2 | -71.9 | -171.6 | 175.6 | -172.5 | 0 | 113 | V510 S550 N556 | V510-K552 HydrophobicContact CB-CB 4.37Å; S550-K552 PolarHBondContact O-N 3.01Å; K552-N556 PolarHBondContact O-N 3.31Å; K552-N556 VanDerWaalsContact O-N 3.15Å; K552-N556 PolarHBondContact O-ND2 3.44Å |
| 553 | A | 82.7 | Confident | 83 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -73.7 | -43 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | V510 V549 S550 V551 E555 N556 L557 | V510-A553 HydrophobicContact CB-CB 3.79Å; V510-A553 HydrophobicContact CG2-CB 3.38Å; V549-A553 HydrophobicContact CG1-CB 3.36Å; S550-A553 WeakPolarHBondContact O-CA 3.43Å; S550-A553 WeakPolarHBondContact O-CB 3.44Å; S550-A553 PolarHBondContact O-N 3.42Å; S550-A553 VanDerWaalsContact OG-CB 3.29Å; S550-A553 WeakPolarHBondContact OG-CB 3.37Å; S550-A553 PolarHBondContact OG-N 3.03Å; V551-A553 PolarHBondContact O-N 2.87Å; A553-E555 VanDerWaalsContact C-N 3.32Å; A553-E555 PolarHBondContact O-N 3.44Å; A553-N556 PolarHBondContact O-N 3.5Å; A553-L557 WeakPolarHBondContact O-CB 3.33Å; A553-L557 VanDerWaalsContact O-CG 3.26Å; A553-L557 WeakPolarHBondContact O-CG 3.5Å; A553-L557 PolarHBondContact O-N 2.55Å |
| 554 | Y | 85.1 | Confident | 83.6 | Confident | 71 Ų | 71 | 53 Ų | 53 | 28% | 0.278 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -56 | -47.4 | 171.8 | 170.4 | -93 | 0 | 0 | 0 | 111.1 | S550 V551 N556 L557 S558 L565 Y582 | S550-Y554 PolarHBondContact O-N 3.28Å; V551-Y554 WeakPolarHBondContact O-CB 3.12Å; V551-Y554 PolarHBondContact O-N 3.44Å; Y554-N556 PolarHBondContact O-N 2.83Å; Y554-L557 PolarHBondContact O-N 3.41Å; Y554-S558 WeakPolarHBondContact CE2-OG 3.43Å; Y554-S558 WeakPolarHBondContact O-CB 3.44Å; Y554-S558 PolarHBondContact O-N 2.87Å; Y554-S558 PolarHBondContact O-OG 2.77Å; Y554-L565 HydrophobicContact CD2-CB 3.68Å; Y554-L565 HydrophobicContact CD2-CD1 3.67Å; Y554-L565 HydrophobicContact CD2-CD2 4.27Å; Y554-L565 HydrophobicContact CD2-CG 4.08Å; Y554-L565 HydrophobicContact CE2-CB 3.61Å; Y554-L565 HydrophobicContact CE2-CD1 3.98Å; Y554-L565 HydrophobicContact CE2-CG 4.36Å; Y554-Y582 HydrophobicContact CD1-CD2 4.35Å; Y554-Y582 HydrophobicContact CD1-CE1 4.35Å; Y554-Y582 AromaticContact CD1-CE2 3.9Å; Y554-Y582 HydrophobicContact CD1-CE2 3.9Å; Y554-Y582 AromaticContact CD1-CZ 3.89Å; Y554-Y582 AromaticContact CD2-CD1 3.62Å; Y554-Y582 HydrophobicContact CD2-CD1 3.62Å; Y554-Y582 AromaticContact CD2-CD2 3.9Å; Y554-Y582 HydrophobicContact CD2-CD2 3.9Å; Y554-Y582 AromaticContact CD2-CE1 3.94Å; Y554-Y582 HydrophobicContact CD2-CE1 3.94Å; Y554-Y582 HydrophobicContact CD2-CE2 4.19Å; Y554-Y582 AromaticContact CD2-CG 3.61Å; Y554-Y582 HydrophobicContact CD2-CG 3.61Å; Y554-Y582 HydrophobicContact CE1-CE1 4.28Å; Y554-Y582 AromaticContact CE2-CD1 3.8Å; Y554-Y582 HydrophobicContact CE2-CD1 3.8Å; Y554-Y582 AromaticContact CE2-CE1 3.87Å; Y554-Y582 HydrophobicContact CE2-CE1 3.87Å; Y554-Y582 HydrophobicContact CE2-CG 4.27Å; Y554-Y582 HydrophobicContact CG-CD1 4.15Å; Y554-Y582 AromaticContact CG-CD2 3.67Å; Y554-Y582 HydrophobicContact CG-CD2 3.67Å; Y554-Y582 HydrophobicContact CG-CE1 4.19Å; Y554-Y582 AromaticContact CG-CE2 3.7Å; Y554-Y582 HydrophobicContact CG-CE2 3.7Å; Y554-Y582 AromaticContact CG-CG 3.9Å; Y554-Y582 HydrophobicContact CG-CG 3.9Å; Y554-Y582 AromaticContact CG-CZ 3.96Å |
| 555 | E | 86.9 | Confident | 84.3 | Confident | 107 Ų | 107 | 50.4 Ų | 50.4 | 50% | 0.5 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -61.1 | -41.5 | 177.7 | -72 | 170.5 | -178.6 | 0 | 0 | 112.4 | V551 A553 K559 | V551-E555 WeakPolarHBondContact O-CG 3.45Å; V551-E555 PolarHBondContact O-N 3.14Å; A553-E555 VanDerWaalsContact C-N 3.32Å; A553-E555 PolarHBondContact O-N 3.44Å; E555-K559 WeakPolarHBondContact O-CG 3.32Å |
| 556 | N | 86.5 | Confident | 85.1 | Confident | 27 Ų | 27 | 48.4 Ų | 48.4 | 14% | 0.144 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -73.9 | -31.7 | 179.1 | -77.9 | -55 | 0 | 0 | 0 | 113.4 | A478 K552 A553 Y554 K559 Y560 | A478-N556 HydrophobicContact CB-CB 3.83Å; K552-N556 PolarHBondContact O-N 3.31Å; K552-N556 VanDerWaalsContact O-N 3.15Å; K552-N556 PolarHBondContact O-ND2 3.44Å; A553-N556 PolarHBondContact O-N 3.5Å; Y554-N556 PolarHBondContact O-N 2.83Å; N556-K559 PolarHBondContact OD1-NZ 2.84Å; N556-Y560 WeakPolarHBondContact O-CD2 2.99Å; N556-Y560 WeakPolarHBondContact O-CE2 3.35Å |
| 557 | L | 86.5 | Confident | 85.6 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -79.5 | -36.9 | 176.6 | -68.1 | 172.4 | 0 | 0 | 0 | 112.2 | A478 P479 A482 V549 A553 Y554 K559 Y560 Y563 L565 | A478-L557 HydrophobicContact CB-CD2 4Å; A478-L557 HydrophobicContact CB-CG 4.26Å; P479-L557 HydrophobicContact CG-CD2 4.46Å; A482-L557 HydrophobicContact CB-CD1 4.23Å; A482-L557 HydrophobicContact CB-CD2 3.68Å; V549-L557 HydrophobicContact CG1-CD1 4.24Å; A553-L557 WeakPolarHBondContact O-CB 3.33Å; A553-L557 VanDerWaalsContact O-CG 3.26Å; A553-L557 WeakPolarHBondContact O-CG 3.5Å; A553-L557 PolarHBondContact O-N 2.55Å; Y554-L557 PolarHBondContact O-N 3.41Å; L557-K559 PolarHBondContact O-N 3.26Å; L557-Y560 PolarHBondContact O-N 2.69Å; L557-Y563 HydrophobicContact CB-CD2 4.07Å; L557-Y563 HydrophobicContact CD2-CD2 3.78Å; L557-Y563 HydrophobicContact CD2-CE2 3.67Å; L557-Y563 HydrophobicContact CG-CD2 4.45Å; L557-L565 HydrophobicContact CB-CD1 3.92Å; L557-L565 HydrophobicContact CD1-CD2 4.47Å |
| 558 | S | 86.5 | Confident | 85.4 | Confident | 48 Ų | 48 | 51.1 Ų | 51.1 | 34% | 0.336 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.4 | -25 | -178.5 | -62.1 | 0 | 0 | 0 | 0 | 112.8 | Y554 Y560 G561 | Y554-S558 WeakPolarHBondContact CE2-OG 3.43Å; Y554-S558 WeakPolarHBondContact O-CB 3.44Å; Y554-S558 PolarHBondContact O-N 2.87Å; Y554-S558 PolarHBondContact O-OG 2.77Å; S558-Y560 PolarHBondContact O-N 3.11Å; S558-G561 PolarHBondContact O-N 3.19Å |
| 559 | K | 85.2 | Confident | 85.3 | Confident | 148 Ų | 148 | 52.1 Ų | 52.1 | 64% | 0.643 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -31.6 | 175.9 | -73.7 | 167.6 | -173 | 176.2 | 0 | 113.3 | E555 N556 L557 | E555-K559 WeakPolarHBondContact O-CG 3.32Å; N556-K559 PolarHBondContact OD1-NZ 2.84Å; L557-K559 PolarHBondContact O-N 3.26Å |
| 560 | Y | 83.8 | Confident | 85.2 | Confident | 69 Ų | 69 | 60.6 Ų | 60.6 | 27% | 0.271 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -22.1 | -175.8 | -56.9 | -72.4 | 0 | 0 | 0 | 112.6 | Y476 P479 N556 L557 S558 V562 F599 | Y476-Y560 HydrophobicContact CD1-CE1 4.41Å; Y476-Y560 HydrophobicContact CE1-CE1 4.19Å; P479-Y560 HydrophobicContact CG-CD2 3.84Å; P479-Y560 HydrophobicContact CG-CE2 3.34Å; N556-Y560 WeakPolarHBondContact O-CD2 2.99Å; N556-Y560 WeakPolarHBondContact O-CE2 3.35Å; L557-Y560 PolarHBondContact O-N 2.69Å; S558-Y560 PolarHBondContact O-N 3.11Å; Y560-V562 PolarHBondContact O-N 3.29Å; Y560-F599 AromaticContact CD1-CD2 3.6Å; Y560-F599 HydrophobicContact CD1-CD2 3.6Å; Y560-F599 AromaticContact CD1-CE2 3.16Å; Y560-F599 HydrophobicContact CD1-CE2 3.16Å; Y560-F599 HydrophobicContact CD1-CZ 4.01Å; Y560-F599 HydrophobicContact CD2-CE2 4.05Å; Y560-F599 HydrophobicContact CD2-CZ 4.1Å; Y560-F599 HydrophobicContact CE1-CD2 4.2Å; Y560-F599 AromaticContact CE1-CE2 3.53Å; Y560-F599 HydrophobicContact CE1-CE2 3.53Å; Y560-F599 HydrophobicContact CE1-CZ 4.44Å; Y560-F599 HydrophobicContact CE2-CE2 4.36Å; Y560-F599 HydrophobicContact CG-CD2 4.06Å; Y560-F599 AromaticContact CG-CE2 3.44Å; Y560-F599 HydrophobicContact CG-CE2 3.44Å; Y560-F599 VanDerWaalsContact CG-CE2 3.44Å; Y560-F599 AromaticContact CG-CZ 3.81Å; Y560-F599 HydrophobicContact CG-CZ 3.81Å |
| 561 | G | 81.2 | Confident | 84.9 | Confident | 62 Ų | 62 | 61.1 Ų | 61.1 | 64% | 0.639 | 31% | 0.308 | S | S | * | . | S | Bend | trans | 67.5 | 12.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | S558 | S558-G561 PolarHBondContact O-N 3.19Š|
| 562 | V | 84.8 | Confident | 84.5 | Confident | 3 Ų | 3 | 66.5 Ų | 66.5 | 2% | 0.018 | 33% | 0.33 | C | S | . | . | trans | -94.7 | -27.2 | -174.8 | 174.2 | 0 | 0 | 0 | 0 | 112.9 | Y560 R587 S588 T596 F599 | Y560-V562 PolarHBondContact O-N 3.29Å; V562-R587 HydrophobicContact CG1-CB 4.29Å; V562-S588 PolarHBondContact O-N 3.38Å; V562-S588 PolarHBondContact O-OG 3.5Å; V562-T596 HydrophobicContact CG1-CG2 3.53Å; V562-F599 HydrophobicContact CB-CD1 4.2Å; V562-F599 HydrophobicContact CB-CE1 4.48Å; V562-F599 HydrophobicContact CG1-CD1 4.14Å; V562-F599 HydrophobicContact CG1-CE1 4.48Å; V562-F599 HydrophobicContact CG2-CB 4.05Å; V562-F599 HydrophobicContact CG2-CD1 3.75Å; V562-F599 HydrophobicContact CG2-CE1 4.42Å; V562-F599 HydrophobicContact CG2-CG 3.98Å | ||
| 563 | Y | 87.8 | Confident | 83.8 | Confident | 20 Ų | 20 | 62.9 Ų | 62.9 | 8% | 0.078 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 136.9 | -170.7 | -64.1 | -69.9 | 0 | 0 | 0 | 112.6 | A482 E483 L486 L557 L565 L584 R587 F599 | A482-Y563 HydrophobicContact CB-CD1 4.42Å; A482-Y563 HydrophobicContact CB-CE1 3.84Å; A482-Y563 HydrophobicContact CB-CE2 4.38Å; E483-Y563 WeakPolarHBondContact OE1-CE1 3.37Å; E483-Y563 PolarHBondContact OE1-OH 2.84Å; L486-Y563 HydrophobicContact CD1-CE1 4.33Å; L557-Y563 HydrophobicContact CB-CD2 4.07Å; L557-Y563 HydrophobicContact CD2-CD2 3.78Å; L557-Y563 HydrophobicContact CD2-CE2 3.67Å; L557-Y563 HydrophobicContact CG-CD2 4.45Å; Y563-L565 PolarHBondContact O-N 3.39Å; Y563-L584 HydrophobicContact CD1-CD1 3.86Å; Y563-L584 HydrophobicContact CG-CD1 4.13Å; Y563-R587 HydrophobicContact CD1-CB 4.14Å; Y563-R587 HydrophobicContact CE1-CB 4.24Å; Y563-F599 HydrophobicContact CE2-CE1 4.06Å; Y563-F599 HydrophobicContact CE2-CZ 4.28Å |
| 564 | D | 89 | Confident | 83.1 | Confident | 81 Ų | 81 | 70.8 Ų | 70.8 | 43% | 0.433 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 109.8 | 172.7 | 178.9 | 29.6 | 0 | 0 | 0 | 110.5 | N585 G586 | D564-N585 HydrophobicContact CB-CB 4.4Å; D564-N585 PolarHBondContact O-N 2.62Å; D564-N585 VanDerWaalsContact OD2-CB 3.32Å; D564-N585 WeakPolarHBondContact OD2-CB 3.39Å; D564-N585 PolarHBondContact OD2-ND2 3.41Å; D564-G586 PolarHBondContact N-O 3.15Å |
| 565 | L | 87.9 | Confident | 82.2 | Confident | 25 Ų | 25 | 73.7 Ų | 73.7 | 13% | 0.131 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 114.4 | -174.1 | -69 | 159.2 | 0 | 0 | 0 | 110.6 | V549 Y554 L557 Y563 W583 L584 | V549-L565 HydrophobicContact CB-CD2 4.49Å; V549-L565 HydrophobicContact CG1-CD2 4.39Å; V549-L565 HydrophobicContact CG2-CD2 4.26Å; Y554-L565 HydrophobicContact CD2-CB 3.68Å; Y554-L565 HydrophobicContact CD2-CD1 3.67Å; Y554-L565 HydrophobicContact CD2-CD2 4.27Å; Y554-L565 HydrophobicContact CD2-CG 4.08Å; Y554-L565 HydrophobicContact CE2-CB 3.61Å; Y554-L565 HydrophobicContact CE2-CD1 3.98Å; Y554-L565 HydrophobicContact CE2-CG 4.36Å; L557-L565 HydrophobicContact CB-CD1 3.92Å; L557-L565 HydrophobicContact CD1-CD2 4.47Å; Y563-L565 PolarHBondContact O-N 3.39Å; L565-W583 CarbonylContact C-O 3.6Å; L565-W583 VanDerWaalsContact CA-O 3.24Å; L565-W583 WeakPolarHBondContact CA-O 3.43Å; L565-L584 HydrophobicContact CD2-CB 4.1Å; L565-L584 HydrophobicContact CD2-CD1 4.07Å |
| 566 | T | 89.1 | Confident | 81.2 | Confident | 56 Ų | 56 | 71.9 Ų | 71.9 | 34% | 0.344 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 147.6 | 179.3 | 56.8 | 0 | 0 | 0 | 0 | 112.2 | K568 Y582 W583 N585 | T566-K568 PolarHBondContact O-N 2.96Å; T566-Y582 CarbonylContact O-C 3.55Å; T566-Y582 WeakPolarHBondContact O-CA 3.16Å; T566-Y582 WeakPolarHBondContact O-CB 3.42Å; T566-W583 PolarHBondContact N-O 2.86Å; T566-W583 PolarHBondContact O-N 3.45Å; T566-N585 WeakPolarHBondContact CG2-ND2 3.49Å; T566-N585 PolarHBondContact OG1-ND2 3.26Å |
| 567 | E | 87.4 | Confident | 80.6 | Confident | 135 Ų | 135 | 72 Ų | 72 | 63% | 0.631 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 126 | 178.8 | -169.4 | -179 | 152.9 | 0 | 0 | 110.8 | L580 Y582 | E567-L580 HydrophobicContact CG-CD1 3.91Å; E567-L580 WeakPolarHBondContact OE1-CD1 3.28Å; E567-Y582 HydrophobicContact CB-CD1 4.3Å; E567-Y582 HydrophobicContact CB-CE1 4.29Å; E567-Y582 HydrophobicContact CG-CE1 4.41Å |
| 568 | K | 80.7 | Confident | 80.1 | Confident | 58 Ų | 58 | 75.1 Ų | 75.1 | 25% | 0.252 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | -40.6 | 173.7 | 175.4 | -176 | 175.8 | -162.2 | 0 | 111.5 | T541 Q548 T566 T581 W583 | T541-K568 PolarHBondContact O-NZ 3.26Å; Q548-K568 HydrophobicContact CG-CD 4.22Å; T566-K568 PolarHBondContact O-N 2.96Å; K568-T581 WeakPolarHBondContact CB-O 3.26Å; K568-T581 WeakPolarHBondContact CD-OG1 3.26Å; K568-T581 PolarHBondContact N-O 3.19Å; K568-W583 HydrophobicContact CB-CD2 4.27Å; K568-W583 HydrophobicContact CB-CG 4.26Å; K568-W583 HydrophobicContact CB-CZ2 4.38Å; K568-W583 HydrophobicContact CD-CD2 4.28Å; K568-W583 HydrophobicContact CD-CH2 3.75Å; K568-W583 HydrophobicContact CD-CZ2 3.3Å; K568-W583 HydrophobicContact CD-CZ3 4.4Å; K568-W583 VanDerWaalsContact CE-CZ2 3.45Å; K568-W583 HydrophobicContact CG-CD2 4.4Å; K568-W583 HydrophobicContact CG-CZ2 3.62Å |
| 569 | G | 82.2 | Confident | 79.7 | Confident | 22 Ų | 22 | 75 Ų | 75 | 23% | 0.227 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 120.5 | -172.2 | -170.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | T581 | G569-T581 PolarHBondContact N-O 3.27Å; G569-T581 PolarHBondContact O-N 2.91Å; G569-T581 PolarHBondContact O-OG1 3.34Å |
| 570 | R | 83.2 | Confident | 79.7 | Confident | 178 Ų | 178 | 69.8 Ų | 69.8 | 67% | 0.672 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 137.5 | -173.9 | -70.1 | 178.9 | 178.7 | -112.3 | -0.5 | 111.8 | T578 I579 L580 | R570-T578 PolarHBondContact NH1-OG1 2.87Å; R570-I579 CarbonylContact C-O 3.56Å; R570-I579 WeakPolarHBondContact CA-O 3.25Å; R570-L580 HydrophobicContact CG-CD1 4.16Å |
| 571 | V | 77.6 | Confident | 79.7 | Confident | 17 Ų | 17 | 66.5 Ų | 66.5 | 10% | 0.103 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 133.9 | 175.7 | 176.7 | 0 | 0 | 0 | 0 | 109.1 | T541 T578 I579 T581 | T541-V571 HydrophobicContact CG2-CG1 3.53Å; T541-V571 WeakPolarHBondContact OG1-CG1 3.07Å; V571-T578 CarbonylContact O-C 3.54Å; V571-T578 VanDerWaalsContact O-CA 3.29Å; V571-T578 WeakPolarHBondContact O-CA 3.43Å; V571-I579 PolarHBondContact N-O 2.95Å; V571-I579 PolarHBondContact O-N 2.94Å; V571-T581 HydrophobicContact CB-CG2 4.41Å; V571-T581 HydrophobicContact CG2-CG2 3.94Å |
| 572 | E | 76.5 | Confident | 80 | Confident | 156 Ų | 156 | 65 Ų | 65 | 73% | 0.729 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 133.2 | 175.5 | -74.4 | -178.6 | 173.8 | 0 | 0 | 111.7 | T578 | E572-T578 HydrophobicContact CG-CG2 3.88Å |
| 573 | L | 68.7 | Low | 80 | Confident | 37 Ų | 37 | 66.5 Ų | 66.5 | 19% | 0.194 | 35% | 0.349 | C | S | . | . | trans | -87.5 | 157.3 | 172.7 | -69.3 | 165.4 | 0 | 0 | 0 | 110.8 | T534 L537 D575 G576 G577 I579 | T534-L573 HydrophobicContact CG2-CD2 3.59Å; L537-L573 HydrophobicContact CD2-CB 4.26Å; L537-L573 HydrophobicContact CD2-CD2 3.22Å; L537-L573 HydrophobicContact CD2-CG 4.11Å; L573-D575 WeakPolarHBondContact CB-OD1 3.41Å; L573-D575 WeakPolarHBondContact CD1-OD1 3.31Å; L573-D575 PolarHBondContact O-N 3.32Å; L573-G576 PolarHBondContact O-N 3.03Å; L573-G577 WeakPolarHBondContact CB-O 3.32Å; L573-G577 PolarHBondContact N-O 3.26Å; L573-I579 HydrophobicContact CD1-CD1 3.69Å; L573-I579 HydrophobicContact CD1-CG1 3.56Å; L573-I579 HydrophobicContact CD2-CD1 3.33Å; L573-I579 HydrophobicContact CD2-CG1 3.91Å; L573-I579 HydrophobicContact CG-CD1 3.77Å; L573-I579 HydrophobicContact CG-CG1 3.75Å | ||
| 574 | K | 67.9 | Low | 80 | Confident | 167 Ų | 167 | 65.8 Ų | 65.8 | 73% | 0.726 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -25 | 174.4 | -69 | -178.7 | 178.2 | 173.4 | 0 | 113.7 | G576 | K574-G576 VanDerWaalsContact C-N 3.28Š|
| 575 | D | 66.2 | Low | 79.8 | Confident | 131 Ų | 131 | 64.8 Ų | 64.8 | 70% | 0.701 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | 4.2 | 177.2 | 62.4 | 4.7 | 0 | 0 | 0 | 113.3 | L573 G577 | L573-D575 WeakPolarHBondContact CB-OD1 3.41Å; L573-D575 WeakPolarHBondContact CD1-OD1 3.31Å; L573-D575 PolarHBondContact O-N 3.32Å; D575-G577 VanDerWaalsContact C-N 3.32Å; D575-G577 PolarHBondContact OD1-N 3.46Å |
| 576 | G | 67 | Low | 79.7 | Confident | 69 Ų | 69 | 64.4 Ų | 64.4 | 71% | 0.711 | 34% | 0.343 | S | S | * | . | S | Bend | trans | 84.1 | -1.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | L573 K574 | L573-G576 PolarHBondContact O-N 3.03Å; K574-G576 VanDerWaalsContact C-N 3.28Å |
| 577 | G | 72.6 | Confident | 79.5 | Confident | 29 Ų | 29 | 65.8 Ų | 65.8 | 30% | 0.299 | 34% | 0.342 | S | S | . | . | trans | -72.7 | 164.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L573 D575 | L573-G577 WeakPolarHBondContact CB-O 3.32Å; L573-G577 PolarHBondContact N-O 3.26Å; D575-G577 VanDerWaalsContact C-N 3.32Å; D575-G577 PolarHBondContact OD1-N 3.46Å | ||
| 578 | T | 77.5 | Confident | 79.2 | Confident | 66 Ų | 66 | 61.1 Ų | 61.1 | 41% | 0.405 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 135.1 | 169.3 | 55.9 | 0 | 0 | 0 | 0 | 110.8 | R570 V571 E572 | R570-T578 PolarHBondContact NH1-OG1 2.87Å; V571-T578 CarbonylContact O-C 3.54Å; V571-T578 VanDerWaalsContact O-CA 3.29Å; V571-T578 WeakPolarHBondContact O-CA 3.43Å; E572-T578 HydrophobicContact CG-CG2 3.88Å |
| 579 | I | 78.1 | Confident | 79 | Confident | 46 Ų | 46 | 62.9 Ų | 62.9 | 24% | 0.236 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 131.5 | 176 | -60.8 | -177.5 | 0 | 0 | 0 | 109.4 | T534 V551 R570 V571 L573 T581 | T534-I579 HydrophobicContact CG2-CD1 3.57Å; V551-I579 HydrophobicContact CG2-CG2 4.21Å; R570-I579 CarbonylContact C-O 3.56Å; R570-I579 WeakPolarHBondContact CA-O 3.25Å; V571-I579 PolarHBondContact N-O 2.95Å; V571-I579 PolarHBondContact O-N 2.94Å; L573-I579 HydrophobicContact CD1-CD1 3.69Å; L573-I579 HydrophobicContact CD1-CG1 3.56Å; L573-I579 HydrophobicContact CD2-CD1 3.33Å; L573-I579 HydrophobicContact CD2-CG1 3.91Å; L573-I579 HydrophobicContact CG-CD1 3.77Å; L573-I579 HydrophobicContact CG-CG1 3.75Å; I579-T581 HydrophobicContact CG2-CG2 4.41Å |
| 580 | L | 84.1 | Confident | 78.5 | Confident | 38 Ų | 38 | 64.8 Ų | 64.8 | 20% | 0.199 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 137 | 171.1 | -173.9 | 63.4 | 0 | 0 | 0 | 110.4 | V551 E567 R570 Y582 | V551-L580 HydrophobicContact CG2-CB 4.04Å; V551-L580 WeakPolarHBondContact CG2-O 3.19Å; E567-L580 HydrophobicContact CG-CD1 3.91Å; E567-L580 WeakPolarHBondContact OE1-CD1 3.28Å; R570-L580 HydrophobicContact CG-CD1 4.16Å; L580-Y582 HydrophobicContact CD2-CE2 4.22Å; L580-Y582 WeakPolarHBondContact CD2-OH 3.46Å; L580-Y582 HydrophobicContact CG-CE2 4.21Å |
| 581 | T | 84 | Confident | 78.2 | Confident | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.006 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 154.1 | -176.8 | 56.6 | 0 | 0 | 0 | 0 | 110.7 | K568 G569 V571 I579 | K568-T581 WeakPolarHBondContact CB-O 3.26Å; K568-T581 WeakPolarHBondContact CD-OG1 3.26Å; K568-T581 PolarHBondContact N-O 3.19Å; G569-T581 PolarHBondContact N-O 3.27Å; G569-T581 PolarHBondContact O-N 2.91Å; G569-T581 PolarHBondContact O-OG1 3.34Å; V571-T581 HydrophobicContact CB-CG2 4.41Å; V571-T581 HydrophobicContact CG2-CG2 3.94Å; I579-T581 HydrophobicContact CG2-CG2 4.41Å |
| 582 | Y | 86.7 | Confident | 78.1 | Confident | 30 Ų | 30 | 66.2 Ų | 66.2 | 12% | 0.118 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 159.8 | -176.8 | -60.6 | -92.8 | 0 | 0 | 0 | 110.1 | Q548 V549 V551 Y554 T566 E567 L580 | Q548-Y582 CarbonylContact C-O 3.59Å; V549-Y582 PolarHBondContact N-O 2.67Å; V549-Y582 PolarHBondContact O-N 2.55Å; V551-Y582 HydrophobicContact CG2-CE2 4.46Å; Y554-Y582 HydrophobicContact CD1-CD2 4.35Å; Y554-Y582 HydrophobicContact CD1-CE1 4.35Å; Y554-Y582 AromaticContact CD1-CE2 3.9Å; Y554-Y582 HydrophobicContact CD1-CE2 3.9Å; Y554-Y582 AromaticContact CD1-CZ 3.89Å; Y554-Y582 AromaticContact CD2-CD1 3.62Å; Y554-Y582 HydrophobicContact CD2-CD1 3.62Å; Y554-Y582 AromaticContact CD2-CD2 3.9Å; Y554-Y582 HydrophobicContact CD2-CD2 3.9Å; Y554-Y582 AromaticContact CD2-CE1 3.94Å; Y554-Y582 HydrophobicContact CD2-CE1 3.94Å; Y554-Y582 HydrophobicContact CD2-CE2 4.19Å; Y554-Y582 AromaticContact CD2-CG 3.61Å; Y554-Y582 HydrophobicContact CD2-CG 3.61Å; Y554-Y582 HydrophobicContact CE1-CE1 4.28Å; Y554-Y582 AromaticContact CE2-CD1 3.8Å; Y554-Y582 HydrophobicContact CE2-CD1 3.8Å; Y554-Y582 AromaticContact CE2-CE1 3.87Å; Y554-Y582 HydrophobicContact CE2-CE1 3.87Å; Y554-Y582 HydrophobicContact CE2-CG 4.27Å; Y554-Y582 HydrophobicContact CG-CD1 4.15Å; Y554-Y582 AromaticContact CG-CD2 3.67Å; Y554-Y582 HydrophobicContact CG-CD2 3.67Å; Y554-Y582 HydrophobicContact CG-CE1 4.19Å; Y554-Y582 AromaticContact CG-CE2 3.7Å; Y554-Y582 HydrophobicContact CG-CE2 3.7Å; Y554-Y582 AromaticContact CG-CG 3.9Å; Y554-Y582 HydrophobicContact CG-CG 3.9Å; Y554-Y582 AromaticContact CG-CZ 3.96Å; T566-Y582 CarbonylContact O-C 3.55Å; T566-Y582 WeakPolarHBondContact O-CA 3.16Å; T566-Y582 WeakPolarHBondContact O-CB 3.42Å; E567-Y582 HydrophobicContact CB-CD1 4.3Å; E567-Y582 HydrophobicContact CB-CE1 4.29Å; E567-Y582 HydrophobicContact CG-CE1 4.41Å; L580-Y582 HydrophobicContact CD2-CE2 4.22Å; L580-Y582 WeakPolarHBondContact CD2-OH 3.46Å; L580-Y582 HydrophobicContact CG-CE2 4.21Å |
| 583 | W | 86.8 | Confident | 78 | Confident | 34 Ų | 34 | 61.3 Ų | 61.3 | 13% | 0.129 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 132.9 | 168.8 | -65.4 | 120 | 0 | 0 | 0 | 109.5 | S542 R546 I547 Q548 L565 T566 K568 | S542-W583 WeakPolarHBondContact OG-CZ3 3.14Å; R546-W583 HydrophobicContact CB-CD2 4.37Å; R546-W583 HydrophobicContact CB-CE3 3.62Å; R546-W583 HydrophobicContact CB-CH2 3.92Å; R546-W583 HydrophobicContact CB-CZ3 3.37Å; I547-W583 WeakPolarHBondContact O-CA 3.21Å; Q548-W583 HydrophobicContact CB-CE3 4.16Å; Q548-W583 HydrophobicContact CB-CH2 4.46Å; Q548-W583 HydrophobicContact CB-CZ3 3.7Å; Q548-W583 HydrophobicContact CG-CZ3 4.38Å; L565-W583 CarbonylContact C-O 3.6Å; L565-W583 VanDerWaalsContact CA-O 3.24Å; L565-W583 WeakPolarHBondContact CA-O 3.43Å; T566-W583 PolarHBondContact N-O 2.86Å; T566-W583 PolarHBondContact O-N 3.45Å; K568-W583 HydrophobicContact CB-CD2 4.27Å; K568-W583 HydrophobicContact CB-CG 4.26Å; K568-W583 HydrophobicContact CB-CZ2 4.38Å; K568-W583 HydrophobicContact CD-CD2 4.28Å; K568-W583 HydrophobicContact CD-CH2 3.75Å; K568-W583 HydrophobicContact CD-CZ2 3.3Å; K568-W583 HydrophobicContact CD-CZ3 4.4Å; K568-W583 VanDerWaalsContact CE-CZ2 3.45Å; K568-W583 HydrophobicContact CG-CD2 4.4Å; K568-W583 HydrophobicContact CG-CZ2 3.62Å |
| 584 | L | 85.8 | Confident | 78.5 | Confident | 5 Ų | 5 | 65.8 Ų | 65.8 | 3% | 0.026 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 109.6 | 162.4 | 173.3 | 66.9 | 0 | 0 | 0 | 107.8 | A482 L486 I508 I547 V549 Y563 L565 | A482-L584 HydrophobicContact CB-CD2 4Å; L486-L584 HydrophobicContact CD2-CD2 4.44Å; L486-L584 HydrophobicContact CD2-CG 4.46Å; L486-L584 HydrophobicContact CG-CD2 4.38Å; I508-L584 HydrophobicContact CD1-CD2 3.74Å; I547-L584 HydrophobicContact CB-CB 4.01Å; I547-L584 HydrophobicContact CD1-CD2 4.18Å; I547-L584 HydrophobicContact CD1-CG 4.46Å; I547-L584 HydrophobicContact CG2-CB 3.99Å; I547-L584 HydrophobicContact CG2-CD2 4.13Å; I547-L584 PolarHBondContact O-N 3.29Å; V549-L584 HydrophobicContact CG2-CB 3.64Å; Y563-L584 HydrophobicContact CD1-CD1 3.86Å; Y563-L584 HydrophobicContact CG-CD1 4.13Å; L565-L584 HydrophobicContact CD2-CB 4.1Å; L565-L584 HydrophobicContact CD2-CD1 4.07Å |
| 585 | N | 85.1 | Confident | 79.2 | Confident | 61 Ų | 61 | 65.2 Ų | 65.2 | 33% | 0.326 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | -26 | -178.9 | -60 | -46.1 | 0 | 0 | 0 | 112.5 | R546 D564 T566 | R546-N585 PolarHBondContact NH1-OD1 3.02Å; D564-N585 HydrophobicContact CB-CB 4.4Å; D564-N585 PolarHBondContact O-N 2.62Å; D564-N585 VanDerWaalsContact OD2-CB 3.32Å; D564-N585 WeakPolarHBondContact OD2-CB 3.39Å; D564-N585 PolarHBondContact OD2-ND2 3.41Å; T566-N585 WeakPolarHBondContact CG2-ND2 3.49Å; T566-N585 PolarHBondContact OG1-ND2 3.26Å |
| 586 | G | 85.8 | Confident | 79.9 | Confident | 16 Ų | 16 | 59 Ų | 59 | 17% | 0.165 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 168.3 | -174.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | D564 | D564-G586 PolarHBondContact N-O 3.15Å |
| 587 | R | 85 | Confident | 80.6 | Confident | 86 Ų | 86 | 57.8 Ų | 57.8 | 33% | 0.325 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 155.4 | 166.5 | 65.1 | 175 | 157.6 | -150.8 | -22.8 | 109.8 | E483 L486 D487 V562 Y563 | E483-R587 IonicContact OE1-NH1 3.89Å; E483-R587 IonicContact OE2-CZ 2.99Å; E483-R587 IonicContact OE2-NH1 2.61Å; E483-R587 PolarHBondContact OE2-NH1 3.41Å; E483-R587 IonicContact OE2-NH2 3.21Å; L486-R587 HydrophobicContact CD1-CB 4.3Å; L486-R587 HydrophobicContact CD1-CG 4.39Å; D487-R587 IonicContact OD1-NH2 3.95Å; V562-R587 HydrophobicContact CG1-CB 4.29Å; Y563-R587 HydrophobicContact CD1-CB 4.14Å; Y563-R587 HydrophobicContact CE1-CB 4.24Å |
| 588 | S | 82.3 | Confident | 81.2 | Confident | 37 Ų | 37 | 62 Ų | 62 | 26% | 0.259 | 33% | 0.329 | S | S | . | . | trans | -60.6 | 147.8 | 164.9 | 45.4 | 0 | 0 | 0 | 0 | 110.9 | V562 T596 | V562-S588 PolarHBondContact O-N 3.38Å; V562-S588 PolarHBondContact O-OG 3.5Å; S588-T596 WeakPolarHBondContact O-CG2 3.45Å; S588-T596 PolarHBondContact OG-OG1 2.82Å | ||
| 589 | N | 76.7 | Confident | 81.7 | Confident | 95 Ų | 95 | 59.4 Ų | 59.4 | 51% | 0.508 | 31% | 0.312 | S | S | . | . | trans | -70.2 | 131.7 | 178.8 | -83.5 | -22 | 0 | 0 | 0 | 110.4 | S591 D592 D593 | N589-S591 PolarHBondContact O-N 3Å; N589-D592 HydrophobicContact CB-CB 4.16Å; N589-D592 WeakPolarHBondContact CB-OD2 3.28Å; N589-D592 PolarHBondContact ND2-OD2 3.46Å; N589-D592 PolarHBondContact O-N 2.93Å; N589-D593 PolarHBondContact O-N 2.98Å | ||
| 590 | P | 71.4 | Confident | 82 | Confident | 61 Ų | 61 | 58.5 Ų | 58.5 | 40% | 0.396 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -19.5 | 176.9 | 25.9 | -33 | 0 | 0 | 0 | 113.2 | D592 T596 A597 L600 | P590-D592 VanDerWaalsContact C-N 3.35Å; P590-T596 HydrophobicContact CB-CG2 4.35Å; P590-A597 HydrophobicContact CB-CB 4.47Å; P590-L600 HydrophobicContact CB-CD1 4.06Å; P590-L600 HydrophobicContact CG-CD1 4.35Å |
| 591 | S | 75.6 | Confident | 82.1 | Confident | 99 Ų | 99 | 61.8 Ų | 61.8 | 69% | 0.692 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -29.1 | 173 | 56.2 | 0 | 0 | 0 | 0 | 113.3 | N589 | N589-S591 PolarHBondContact O-N 3Š|
| 592 | D | 75.6 | Confident | 82.3 | Confident | 126 Ų | 126 | 66.5 Ų | 66.5 | 67% | 0.674 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.9 | -27 | -167.7 | -57.6 | -14 | 0 | 0 | 0 | 111.5 | N589 P590 | N589-D592 HydrophobicContact CB-CB 4.16Å; N589-D592 WeakPolarHBondContact CB-OD2 3.28Å; N589-D592 PolarHBondContact ND2-OD2 3.46Å; N589-D592 PolarHBondContact O-N 2.93Å; P590-D592 VanDerWaalsContact C-N 3.35Å |
| 593 | D | 75.5 | Confident | 82.3 | Confident | 53 Ų | 53 | 65.1 Ų | 65.1 | 28% | 0.283 | 34% | 0.342 | S | S | . | . | trans | -126.8 | 113.3 | 179.1 | -170.4 | 1.4 | 0 | 0 | 0 | 111.8 | N589 K595 T596 A597 | N589-D593 PolarHBondContact O-N 2.98Å; D593-K595 PolarHBondContact O-N 2.99Å; D593-K595 WeakPolarHBondContact OD1-CB 2.88Å; D593-K595 PolarHBondContact OD1-N 2.99Å; D593-T596 WeakPolarHBondContact O-CB 3.28Å; D593-T596 PolarHBondContact O-N 2.7Å; D593-A597 PolarHBondContact O-N 2.76Å | ||
| 594 | E | 79.8 | Confident | 82.4 | Confident | 131 Ų | 131 | 66.8 Ų | 66.8 | 61% | 0.612 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -59.4 | -29 | 176.9 | -162.5 | -168.8 | 153 | 0 | 0 | 111.9 | T596 A597 K598 | E594-T596 VanDerWaalsContact C-N 3.32Å; E594-A597 PolarHBondContact O-N 2.83Å; E594-K598 WeakPolarHBondContact O-CG 3.43Å; E594-K598 PolarHBondContact O-N 2.97Å; E594-K598 VanDerWaalsContact O-N 3.13Å; E594-K598 WeakPolarHBondContact OE1-CE 3.35Å; E594-K598 IonicContact OE1-NZ 2.93Å; E594-K598 PolarHBondContact OE1-NZ 3.29Å |
| 595 | K | 81.3 | Confident | 82.5 | Confident | 156 Ų | 156 | 69.9 Ų | 69.9 | 68% | 0.678 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -64.4 | -40.1 | 175.9 | -66.3 | -179.9 | 178.8 | 177.6 | 0 | 111.4 | D593 K598 F599 | D593-K595 PolarHBondContact O-N 2.99Å; D593-K595 WeakPolarHBondContact OD1-CB 2.88Å; D593-K595 PolarHBondContact OD1-N 2.99Å; K595-K598 PolarHBondContact O-N 3.42Å; K595-F599 WeakPolarHBondContact O-CB 3.33Å; K595-F599 PolarHBondContact O-N 2.99Å |
| 596 | T | 80.7 | Confident | 82.6 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -68.1 | -41.1 | 179.3 | -60.3 | 0 | 0 | 0 | 0 | 111.6 | V562 S588 P590 D593 E594 K598 F599 L600 | V562-T596 HydrophobicContact CG1-CG2 3.53Å; S588-T596 WeakPolarHBondContact O-CG2 3.45Å; S588-T596 PolarHBondContact OG-OG1 2.82Å; P590-T596 HydrophobicContact CB-CG2 4.35Å; D593-T596 WeakPolarHBondContact O-CB 3.28Å; D593-T596 PolarHBondContact O-N 2.7Å; E594-T596 VanDerWaalsContact C-N 3.32Å; T596-K598 PolarHBondContact O-N 3.25Å; T596-F599 PolarHBondContact O-N 2.91Å; T596-L600 HydrophobicContact CG2-CD1 4.12Å; T596-L600 HydrophobicContact CG2-CG 4.45Å; T596-L600 WeakPolarHBondContact O-CG 3.33Å; T596-L600 PolarHBondContact O-N 3.39Å |
| 597 | A | 82.6 | Confident | 82.6 | Confident | 43 Ų | 43 | 68.5 Ų | 68.5 | 36% | 0.355 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -59.6 | -46.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | P590 D593 E594 L600 D601 | P590-A597 HydrophobicContact CB-CB 4.47Å; D593-A597 PolarHBondContact O-N 2.76Å; E594-A597 PolarHBondContact O-N 2.83Å; A597-L600 PolarHBondContact O-N 2.57Å; A597-D601 PolarHBondContact O-N 3.36Å; A597-D601 VanDerWaalsContact O-N 3.15Å |
| 598 | K | 85.4 | Confident | 82.7 | Confident | 119 Ų | 119 | 70.6 Ų | 70.6 | 52% | 0.517 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.7 | -44.7 | 177.3 | -73.3 | 176.6 | -176.1 | 164.6 | 0 | 112.4 | E594 K595 T596 L600 D601 E602 | E594-K598 WeakPolarHBondContact O-CG 3.43Å; E594-K598 PolarHBondContact O-N 2.97Å; E594-K598 VanDerWaalsContact O-N 3.13Å; E594-K598 WeakPolarHBondContact OE1-CE 3.35Å; E594-K598 IonicContact OE1-NZ 2.93Å; E594-K598 PolarHBondContact OE1-NZ 3.29Å; K595-K598 PolarHBondContact O-N 3.42Å; T596-K598 PolarHBondContact O-N 3.25Å; K598-L600 PolarHBondContact O-N 3.41Å; K598-D601 WeakPolarHBondContact O-CB 3.36Å; K598-D601 PolarHBondContact O-N 2.89Å; K598-E602 PolarHBondContact O-N 2.91Å |
| 599 | F | 87 | Confident | 82.8 | Confident | 11 Ų | 11 | 76.5 Ų | 76.5 | 5% | 0.048 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -61.4 | -41.7 | 178.1 | 171.5 | -107.1 | 0 | 0 | 0 | 112.7 | Y476 P479 Y560 V562 Y563 K595 T596 D601 E602 L603 | Y476-F599 HydrophobicContact CD1-CE2 4.22Å; Y476-F599 HydrophobicContact CE1-CE2 4.2Å; P479-F599 HydrophobicContact CB-CE1 4.47Å; P479-F599 HydrophobicContact CB-CZ 3.7Å; P479-F599 HydrophobicContact CG-CE2 4.27Å; P479-F599 HydrophobicContact CG-CZ 3.67Å; Y560-F599 AromaticContact CD1-CD2 3.6Å; Y560-F599 HydrophobicContact CD1-CD2 3.6Å; Y560-F599 AromaticContact CD1-CE2 3.16Å; Y560-F599 HydrophobicContact CD1-CE2 3.16Å; Y560-F599 HydrophobicContact CD1-CZ 4.01Å; Y560-F599 HydrophobicContact CD2-CE2 4.05Å; Y560-F599 HydrophobicContact CD2-CZ 4.1Å; Y560-F599 HydrophobicContact CE1-CD2 4.2Å; Y560-F599 AromaticContact CE1-CE2 3.53Å; Y560-F599 HydrophobicContact CE1-CE2 3.53Å; Y560-F599 HydrophobicContact CE1-CZ 4.44Å; Y560-F599 HydrophobicContact CE2-CE2 4.36Å; Y560-F599 HydrophobicContact CG-CD2 4.06Å; Y560-F599 AromaticContact CG-CE2 3.44Å; Y560-F599 HydrophobicContact CG-CE2 3.44Å; Y560-F599 VanDerWaalsContact CG-CE2 3.44Å; Y560-F599 AromaticContact CG-CZ 3.81Å; Y560-F599 HydrophobicContact CG-CZ 3.81Å; V562-F599 HydrophobicContact CB-CD1 4.2Å; V562-F599 HydrophobicContact CB-CE1 4.48Å; V562-F599 HydrophobicContact CG1-CD1 4.14Å; V562-F599 HydrophobicContact CG1-CE1 4.48Å; V562-F599 HydrophobicContact CG2-CB 4.05Å; V562-F599 HydrophobicContact CG2-CD1 3.75Å; V562-F599 HydrophobicContact CG2-CE1 4.42Å; V562-F599 HydrophobicContact CG2-CG 3.98Å; Y563-F599 HydrophobicContact CE2-CE1 4.06Å; Y563-F599 HydrophobicContact CE2-CZ 4.28Å; K595-F599 WeakPolarHBondContact O-CB 3.33Å; K595-F599 PolarHBondContact O-N 2.99Å; T596-F599 PolarHBondContact O-N 2.91Å; F599-D601 VanDerWaalsContact C-N 3.31Å; F599-D601 PolarHBondContact O-N 3.5Å; F599-E602 PolarHBondContact O-N 2.86Å; F599-L603 HydrophobicContact CZ-CD1 4.31Å; F599-L603 VanDerWaalsContact O-CB 3.32Å; F599-L603 WeakPolarHBondContact O-CB 3.42Å; F599-L603 PolarHBondContact O-N 3.47Å |
| 600 | L | 84.8 | Confident | 82.9 | Confident | 26 Ų | 26 | 72.6 Ų | 72.6 | 14% | 0.136 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -67.6 | -31.6 | 177.8 | -70.5 | 174.2 | 0 | 0 | 0 | 112.6 | P590 T596 A597 K598 L603 N604 | P590-L600 HydrophobicContact CB-CD1 4.06Å; P590-L600 HydrophobicContact CG-CD1 4.35Å; T596-L600 HydrophobicContact CG2-CD1 4.12Å; T596-L600 HydrophobicContact CG2-CG 4.45Å; T596-L600 WeakPolarHBondContact O-CG 3.33Å; T596-L600 PolarHBondContact O-N 3.39Å; A597-L600 PolarHBondContact O-N 2.57Å; K598-L600 PolarHBondContact O-N 3.41Å; L600-L603 HydrophobicContact CD2-CD2 4.34Å; L600-L603 WeakPolarHBondContact O-CB 3.43Å; L600-L603 PolarHBondContact O-N 3.15Å; L600-N604 PolarHBondContact O-N 3.33Å; L600-N604 PolarHBondContact O-ND2 2.98Å |
| 601 | D | 86.9 | Confident | 83.2 | Confident | 108 Ų | 108 | 70.9 Ų | 70.9 | 58% | 0.578 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -68.4 | -45 | 174.2 | -166.6 | 55.1 | 0 | 0 | 0 | 111.7 | A597 K598 F599 L603 N604 T605 | A597-D601 PolarHBondContact O-N 3.36Å; A597-D601 VanDerWaalsContact O-N 3.15Å; K598-D601 WeakPolarHBondContact O-CB 3.36Å; K598-D601 PolarHBondContact O-N 2.89Å; F599-D601 VanDerWaalsContact C-N 3.31Å; F599-D601 PolarHBondContact O-N 3.5Å; D601-L603 VanDerWaalsContact C-N 3.28Å; D601-L603 PolarHBondContact O-N 2.93Å; D601-N604 PolarHBondContact O-N 3.45Å; D601-T605 PolarHBondContact O-N 3.33Å; D601-T605 PolarHBondContact O-OG1 2.81Å |
| 602 | E | 87.7 | Confident | 82.8 | Confident | 100 Ų | 100 | 71.2 Ų | 71.2 | 47% | 0.467 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -58.2 | -42.6 | 171.3 | -71.8 | -179.6 | -168.2 | 0 | 0 | 111.5 | Y476 K598 F599 N604 T605 E606 | Y476-E602 PolarHBondContact OH-OE2 3.03Å; K598-E602 PolarHBondContact O-N 2.91Å; F599-E602 PolarHBondContact O-N 2.86Å; E602-N604 PolarHBondContact O-N 3.25Å; E602-T605 WeakPolarHBondContact O-CB 3.34Å; E602-T605 PolarHBondContact O-N 3.03Å; E602-E606 PolarHBondContact O-N 2.67Å |
| 603 | L | 87.5 | Confident | 82.5 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.4 | -42.2 | 178.1 | -165.2 | 82.1 | 0 | 0 | 0 | 111.8 | Y476 P479 F480 E483 F599 L600 D601 E606 R607 | Y476-L603 HydrophobicContact CD1-CD1 3.94Å; Y476-L603 HydrophobicContact CG-CD1 4.24Å; P479-L603 HydrophobicContact CB-CD1 3.48Å; P479-L603 VanDerWaalsContact CB-CD1 3.48Å; P479-L603 HydrophobicContact CG-CD1 4.48Å; F480-L603 HydrophobicContact CD1-CD1 3.69Å; F480-L603 HydrophobicContact CD1-CD2 4.28Å; F480-L603 HydrophobicContact CD1-CG 3.9Å; F480-L603 HydrophobicContact CE1-CD1 3.62Å; F480-L603 HydrophobicContact CE1-CD2 4.43Å; F480-L603 HydrophobicContact CE1-CG 3.65Å; E483-L603 HydrophobicContact CG-CD2 3.67Å; F599-L603 HydrophobicContact CZ-CD1 4.31Å; F599-L603 VanDerWaalsContact O-CB 3.32Å; F599-L603 WeakPolarHBondContact O-CB 3.42Å; F599-L603 PolarHBondContact O-N 3.47Å; L600-L603 HydrophobicContact CD2-CD2 4.34Å; L600-L603 WeakPolarHBondContact O-CB 3.43Å; L600-L603 PolarHBondContact O-N 3.15Å; D601-L603 VanDerWaalsContact C-N 3.28Å; D601-L603 PolarHBondContact O-N 2.93Å; L603-E606 PolarHBondContact O-N 2.74Å; L603-R607 WeakPolarHBondContact O-CG 3.46Å; L603-R607 PolarHBondContact O-N 2.99Å; L603-R607 VanDerWaalsContact O-N 3.12Å |
| 604 | N | 87.8 | Confident | 81.8 | Confident | 69 Ų | 69 | 68.4 Ų | 68.4 | 37% | 0.369 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -68.5 | -39.4 | 176.8 | -75 | -29.3 | 0 | 0 | 0 | 112 | L600 D601 E602 E606 R607 E608 | L600-N604 PolarHBondContact O-N 3.33Å; L600-N604 PolarHBondContact O-ND2 2.98Å; D601-N604 PolarHBondContact O-N 3.45Å; E602-N604 PolarHBondContact O-N 3.25Å; N604-E606 PolarHBondContact O-N 3.23Å; N604-R607 WeakPolarHBondContact O-CB 3.25Å; N604-R607 PolarHBondContact O-N 2.96Å; N604-R607 PolarHBondContact OD1-NH1 2.74Å; N604-E608 PolarHBondContact O-N 2.87Å |
| 605 | T | 88.1 | Confident | 80.7 | Confident | 71 Ų | 71 | 67 Ų | 67 | 44% | 0.436 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -58.3 | -40.3 | 174.1 | -54.9 | 0 | 0 | 0 | 0 | 111.1 | D601 E602 E608 R609 | D601-T605 PolarHBondContact O-N 3.33Å; D601-T605 PolarHBondContact O-OG1 2.81Å; E602-T605 WeakPolarHBondContact O-CB 3.34Å; E602-T605 PolarHBondContact O-N 3.03Å; T605-E608 PolarHBondContact O-N 3.46Å; T605-R609 PolarHBondContact O-N 2.91Å; T605-R609 VanDerWaalsContact O-N 3.07Å |
| 606 | E | 87.1 | Confident | 79.2 | Confident | 19 Ų | 19 | 62.1 Ų | 62.1 | 9% | 0.089 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -67.1 | -36.8 | 174.8 | -174.6 | 70.2 | 170.8 | 0 | 0 | 112.6 | T474 Y476 F480 E602 L603 N604 E608 R609 I610 | T474-E606 WeakPolarHBondContact OG1-CG 3.41Å; T474-E606 PolarHBondContact OG1-OE1 3.38Å; Y476-E606 HydrophobicContact CD2-CB 4.05Å; Y476-E606 HydrophobicContact CD2-CG 3.73Å; Y476-E606 HydrophobicContact CE2-CB 4.41Å; Y476-E606 HydrophobicContact CE2-CG 4.4Å; Y476-E606 HydrophobicContact CG-CG 4.43Å; F480-E606 HydrophobicContact CE2-CG 4.02Å; F480-E606 HydrophobicContact CZ-CB 3.9Å; F480-E606 HydrophobicContact CZ-CG 3.61Å; E602-E606 PolarHBondContact O-N 2.67Å; L603-E606 PolarHBondContact O-N 2.74Å; N604-E606 PolarHBondContact O-N 3.23Å; E606-E608 VanDerWaalsContact C-N 3.34Å; E606-E608 PolarHBondContact O-N 3.28Å; E606-R609 PolarHBondContact O-N 2.83Å; E606-R609 IonicContact OE2-CZ 4Å; E606-R609 IonicContact OE2-NE 3.85Å; E606-R609 PolarHBondContact OE2-NE 3.22Å; E606-R609 IonicContact OE2-NH2 3.71Å; E606-R609 PolarHBondContact OE2-NH2 2.82Å; E606-I610 HydrophobicContact CG-CD1 4.27Å; E606-I610 WeakPolarHBondContact O-CG1 3.33Å; E606-I610 PolarHBondContact O-N 2.79Å |
| 607 | R | 86.6 | Confident | 77.7 | Confident | 28 Ų | 28 | 63.7 Ų | 63.7 | 11% | 0.106 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61 | -43.2 | 174.2 | -69.6 | 173.8 | -179.6 | 157.5 | -1.2 | 111.7 | H452 K453 F480 L603 N604 I610 A611 | H452-R607 PolarHBondContact ND1-NH2 3.24Å; K453-R607 HydrophobicContact CG-CB 4.06Å; K453-R607 HydrophobicContact CG-CG 4.34Å; F480-R607 HydrophobicContact CD1-CG 4.29Å; F480-R607 HydrophobicContact CE1-CG 3.48Å; F480-R607 VanDerWaalsContact CE1-CG 3.48Å; F480-R607 HydrophobicContact CZ-CG 3.88Å; L603-R607 WeakPolarHBondContact O-CG 3.46Å; L603-R607 PolarHBondContact O-N 2.99Å; L603-R607 VanDerWaalsContact O-N 3.12Å; N604-R607 WeakPolarHBondContact O-CB 3.25Å; N604-R607 PolarHBondContact O-N 2.96Å; N604-R607 PolarHBondContact OD1-NH1 2.74Å; R607-I610 PolarHBondContact O-N 3.47Å; R607-A611 WeakPolarHBondContact O-CB 3.47Å; R607-A611 PolarHBondContact O-N 2.99Å |
| 608 | E | 85.5 | Confident | 76 | Confident | 130 Ų | 130 | 64 Ų | 64 | 61% | 0.607 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -63.9 | -43.8 | 177.3 | -69.7 | -178.9 | 174.6 | 0 | 0 | 111.3 | N604 T605 E606 I610 A611 D612 | N604-E608 PolarHBondContact O-N 2.87Å; T605-E608 PolarHBondContact O-N 3.46Å; E606-E608 VanDerWaalsContact C-N 3.34Å; E606-E608 PolarHBondContact O-N 3.28Å; E608-I610 VanDerWaalsContact C-N 3.33Å; E608-I610 PolarHBondContact O-N 3.4Å; E608-A611 WeakPolarHBondContact O-CB 3.1Å; E608-A611 PolarHBondContact O-N 2.76Å; E608-A611 VanDerWaalsContact O-N 3.13Å; E608-D612 PolarHBondContact O-N 2.86Å |
| 609 | R | 84.5 | Confident | 73.9 | Confident | 161 Ų | 161 | 65.8 Ų | 65.8 | 61% | 0.608 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -57.3 | -43.6 | 173.8 | -84.3 | -156.8 | -70.6 | 177.2 | -7.3 | 113 | T605 E606 D612 S613 | T605-R609 PolarHBondContact O-N 2.91Å; T605-R609 VanDerWaalsContact O-N 3.07Å; E606-R609 PolarHBondContact O-N 2.83Å; E606-R609 IonicContact OE2-CZ 4Å; E606-R609 IonicContact OE2-NE 3.85Å; E606-R609 PolarHBondContact OE2-NE 3.22Å; E606-R609 IonicContact OE2-NH2 3.71Å; E606-R609 PolarHBondContact OE2-NH2 2.82Å; R609-D612 PolarHBondContact O-N 3.39Å; R609-S613 WeakPolarHBondContact O-CB 3.28Å; R609-S613 PolarHBondContact O-N 3.06Å |
| 610 | I | 80.4 | Confident | 71.6 | Confident | 13 Ų | 13 | 73 Ų | 73 | 7% | 0.067 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -67 | -40.2 | 177.8 | -65.9 | 169.8 | 0 | 0 | 0 | 110.4 | K453 T474 F480 E606 R607 E608 S613 N614 | K453-I610 HydrophobicContact CB-CG2 4.37Å; T474-I610 HydrophobicContact CG2-CD1 4.3Å; F480-I610 HydrophobicContact CE2-CD1 3.64Å; F480-I610 HydrophobicContact CZ-CD1 4.17Å; E606-I610 HydrophobicContact CG-CD1 4.27Å; E606-I610 WeakPolarHBondContact O-CG1 3.33Å; E606-I610 PolarHBondContact O-N 2.79Å; R607-I610 PolarHBondContact O-N 3.47Å; E608-I610 VanDerWaalsContact C-N 3.33Å; E608-I610 PolarHBondContact O-N 3.4Å; I610-S613 PolarHBondContact O-N 3.4Å; I610-S613 PolarHBondContact O-OG 2.93Å; I610-N614 PolarHBondContact O-N 2.91Å; I610-N614 VanDerWaalsContact O-N 3.16Å; I610-N614 PolarHBondContact O-ND2 3.48Å |
| 611 | A | 75.8 | Confident | 69.5 | Low | 25 Ų | 25 | 81.4 Ų | 81.4 | 21% | 0.207 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -60.9 | -46.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | K453 R607 E608 N614 M615 | K453-A611 HydrophobicContact CD-CB 4.49Å; R607-A611 WeakPolarHBondContact O-CB 3.47Å; R607-A611 PolarHBondContact O-N 2.99Å; E608-A611 WeakPolarHBondContact O-CB 3.1Å; E608-A611 PolarHBondContact O-N 2.76Å; E608-A611 VanDerWaalsContact O-N 3.13Å; A611-N614 PolarHBondContact O-N 2.93Å; A611-M615 PolarHBondContact O-N 3.45Å |
| 612 | D | 69.1 | Low | 67.2 | Low | 106 Ų | 106 | 80.1 Ų | 80.1 | 57% | 0.567 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -65.7 | -38.9 | 178.3 | -77.1 | -12.7 | 0 | 0 | 0 | 111.6 | E608 R609 N614 M615 A616 | E608-D612 PolarHBondContact O-N 2.86Å; R609-D612 PolarHBondContact O-N 3.39Å; D612-N614 PolarHBondContact O-N 3.35Å; D612-M615 CarbonylContact O-C 3.56Å; D612-M615 PolarHBondContact O-N 3.12Å; D612-M615 VanDerWaalsContact O-N 3.08Å; D612-A616 VanDerWaalsContact O-CB 3.3Å; D612-A616 WeakPolarHBondContact O-CB 3.3Å; D612-A616 PolarHBondContact O-N 3.15Å |
| 613 | S | 67.6 | Low | 64.5 | Low | 65 Ų | 65 | 78.4 Ų | 78.4 | 46% | 0.455 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -60.4 | -35.5 | 174.9 | 74.7 | 0 | 0 | 0 | 0 | 112.3 | R609 I610 | R609-S613 WeakPolarHBondContact O-CB 3.28Å; R609-S613 PolarHBondContact O-N 3.06Å; I610-S613 PolarHBondContact O-N 3.4Å; I610-S613 PolarHBondContact O-OG 2.93Å |
| 614 | N | 62.3 | Low | 62 | Low | 55 Ų | 55 | 83.4 Ų | 83.4 | 29% | 0.294 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -77.6 | -22.7 | 175.9 | -70.3 | -23.5 | 0 | 0 | 0 | 113.2 | I610 A611 D612 | I610-N614 PolarHBondContact O-N 2.91Å; I610-N614 VanDerWaalsContact O-N 3.16Å; I610-N614 PolarHBondContact O-ND2 3.48Å; A611-N614 PolarHBondContact O-N 2.93Å; D612-N614 PolarHBondContact O-N 3.35Å |
| 615 | M | 56.3 | Low | 59.4 | Low | 103 Ų | 103 | 83 Ų | 83 | 51% | 0.507 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -91.6 | -31 | 175.5 | -73.9 | -156.3 | 79.8 | 0 | 0 | 113.6 | A611 D612 S617 S618 Y619 | A611-M615 PolarHBondContact O-N 3.45Å; D612-M615 CarbonylContact O-C 3.56Å; D612-M615 PolarHBondContact O-N 3.12Å; D612-M615 VanDerWaalsContact O-N 3.08Å; M615-S617 PolarHBondContact O-N 3.28Å; M615-S618 WeakPolarHBondContact O-CA 3.46Å; M615-S618 VanDerWaalsContact O-CB 3.27Å; M615-S618 WeakPolarHBondContact O-CB 3.34Å; M615-S618 PolarHBondContact O-N 3.15Å; M615-S618 PolarHBondContact O-OG 2.64Å; M615-Y619 HydrophobicContact CE-CE2 4.33Å; M615-Y619 PolarHBondContact O-N 2.74Å |
| 616 | A | 50.2 | Low | 56.8 | Low | 52 Ų | 52 | 90.8 Ų | 90.8 | 43% | 0.43 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -60.5 | -30.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | D612 S618 Y619 Q620 | D612-A616 VanDerWaalsContact O-CB 3.3Å; D612-A616 WeakPolarHBondContact O-CB 3.3Å; D612-A616 PolarHBondContact O-N 3.15Å; A616-S618 PolarHBondContact O-N 3.5Å; A616-Y619 PolarHBondContact O-N 3.39Å; A616-Q620 PolarHBondContact O-N 3Å |
| 617 | S | 49 | Very low | 54.2 | Low | 34 Ų | 34 | 96.2 Ų | 96.2 | 24% | 0.238 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -65.3 | -22.7 | 171.6 | 86.5 | 0 | 0 | 0 | 0 | 113.3 | E394 M615 | E394-S617 WeakPolarHBondContact OE1-CB 3.4Å; E394-S617 PolarHBondContact OE1-OG 3.06Å; M615-S617 PolarHBondContact O-N 3.28Å |
| 618 | S | 47 | Very low | 51.8 | Low | 50 Ų | 50 | 96.9 Ų | 96.9 | 35% | 0.35 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -78.1 | -37.3 | 176.2 | 78.1 | 0 | 0 | 0 | 0 | 113.6 | M615 A616 | M615-S618 WeakPolarHBondContact O-CA 3.46Å; M615-S618 VanDerWaalsContact O-CB 3.27Å; M615-S618 WeakPolarHBondContact O-CB 3.34Å; M615-S618 PolarHBondContact O-N 3.15Å; M615-S618 PolarHBondContact O-OG 2.64Å; A616-S618 PolarHBondContact O-N 3.5Å |
| 619 | Y | 40.4 | Very low | 49.2 | Very low | 156 Ų | 156 | 95.7 Ų | 95.7 | 61% | 0.612 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -84.5 | -21.2 | -174.1 | -81.5 | -79.8 | 0 | 0 | 0 | 114.4 | M615 A616 R621 S622 G623 | M615-Y619 HydrophobicContact CE-CE2 4.33Å; M615-Y619 PolarHBondContact O-N 2.74Å; A616-Y619 PolarHBondContact O-N 3.39Å; Y619-R621 PolarHBondContact O-N 3.11Å; Y619-S622 WeakPolarHBondContact CD1-OG 3.29Å; Y619-S622 PolarHBondContact O-N 2.89Å; Y619-G623 PolarHBondContact O-N 3.07Å |
| 620 | Q | 39.7 | Very low | 46.7 | Very low | 162 Ų | 162 | 91 Ų | 91 | 76% | 0.757 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64.3 | -7.3 | 175.7 | -94 | 168.5 | -35.3 | 0 | 0 | 114.1 | A616 | A616-Q620 PolarHBondContact O-N 3Å |
| 621 | R | 40.3 | Very low | 44.4 | Very low | 203 Ų | 203 | 92.6 Ų | 92.6 | 77% | 0.766 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -119 | -22.9 | 165.7 | -100.6 | -174.6 | -173.1 | 179.5 | 6.5 | 116.9 | Y619 G623 E624 | Y619-R621 PolarHBondContact O-N 3.11Å; R621-G623 PolarHBondContact O-N 3.43Å; R621-E624 PolarHBondContact O-N 2.93Å |
| 622 | S | 38.6 | Very low | 42.5 | Very low | 81 Ų | 81 | 95.9 Ų | 95.9 | 57% | 0.566 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -70.1 | -21.9 | 173.1 | 65.1 | 0 | 0 | 0 | 0 | 112.3 | Y619 | Y619-S622 WeakPolarHBondContact CD1-OG 3.29Å; Y619-S622 PolarHBondContact O-N 2.89Å |
| 623 | G | 30.5 | Very low | 40.6 | Very low | 64 Ų | 64 | 102 Ų | 102 | 66% | 0.66 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -8.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y619 R621 S625 | Y619-G623 PolarHBondContact O-N 3.07Å; R621-G623 PolarHBondContact O-N 3.43Å; G623-S625 PolarHBondContact O-N 2.9Å |
| 624 | E | 35.4 | Very low | 38.8 | Very low | 105 Ų | 105 | 101.9 Ų | 101.9 | 49% | 0.491 | 54% | 0.537 | S | S | . | . | S | Bend | trans | -71 | 90.7 | 162.6 | -80.3 | -164.3 | -162.1 | 0 | 0 | 107.5 | R621 W626 S628 | R621-E624 PolarHBondContact O-N 2.93Å; E624-W626 PolarHBondContact O-N 3.47Å; E624-S628 PolarHBondContact OE2-OG 3.04Å |
| 625 | S | 33.3 | Very low | 37.2 | Very low | 61 Ų | 61 | 103.9 Ų | 103.9 | 43% | 0.427 | 56% | 0.555 | S | S | . | * | trans | -24.8 | 134.6 | 165.3 | 172.6 | 0 | 0 | 0 | 0 | 110.7 | G623 E627 S628 | G623-S625 PolarHBondContact O-N 2.9Å; S625-E627 PolarHBondContact O-N 2.85Å; S625-E627 PolarHBondContact OG-N 2.67Å; S625-E627 PolarHBondContact OG-OE2 3.01Å; S625-S628 PolarHBondContact O-N 3.36Å | ||
| 626 | W | 32.6 | Very low | 36 | Very low | 233 Ų | 233 | 104.8 Ų | 104.8 | 88% | 0.883 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -46.8 | -9.8 | 174.6 | -77.4 | 33.7 | 0 | 0 | 0 | 114.3 | E624 T630 | E624-W626 PolarHBondContact O-N 3.47Å; W626-T630 PolarHBondContact O-OG1 3.06Å; W626-T630 VanDerWaalsContact O-OG1 3.12Å |
| 627 | E | 34.1 | Very low | 35.1 | Very low | 134 Ų | 134 | 105.5 Ų | 105.5 | 63% | 0.626 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -77.4 | -26.5 | 174.5 | -63 | 175.8 | 146.3 | 0 | 0 | 115.2 | S625 T630 A631 R638 | S625-E627 PolarHBondContact O-N 2.85Å; S625-E627 PolarHBondContact OG-N 2.67Å; S625-E627 PolarHBondContact OG-OE2 3.01Å; E627-T630 PolarHBondContact O-OG1 3.08Å; E627-A631 WeakPolarHBondContact O-CB 3.38Å; E627-A631 PolarHBondContact O-N 3.48Å; E627-R638 PolarHBondContact O-NH1 3.33Å; E627-R638 VanDerWaalsContact O-NH1 3.14Å |
| 628 | S | 34.6 | Very low | 34.1 | Very low | 42 Ų | 42 | 110 Ų | 110 | 29% | 0.294 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -81.2 | -42.8 | -174.6 | 79 | 0 | 0 | 0 | 0 | 113.5 | E624 S625 T630 A631 S632 | E624-S628 PolarHBondContact OE2-OG 3.04Å; S625-S628 PolarHBondContact O-N 3.36Å; S628-T630 VanDerWaalsContact C-N 3.27Å; S628-T630 PolarHBondContact O-N 3.16Å; S628-A631 WeakPolarHBondContact O-CB 3.38Å; S628-A631 PolarHBondContact O-N 3.47Å; S628-S632 PolarHBondContact O-N 3.29Å |
| 629 | V | 31.9 | Very low | 33.3 | Very low | 105 Ų | 105 | 114 Ų | 114 | 64% | 0.636 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -68.4 | -31.4 | -179 | -178.9 | 0 | 0 | 0 | 0 | 111 | ||
| 630 | T | 32.2 | Very low | 32.8 | Very low | 63 Ų | 63 | 113.6 Ų | 113.6 | 39% | 0.387 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -74.5 | -25.2 | 170.7 | 52.6 | 0 | 0 | 0 | 0 | 112.6 | W626 E627 S628 C634 R638 | W626-T630 PolarHBondContact O-OG1 3.06Å; W626-T630 VanDerWaalsContact O-OG1 3.12Å; E627-T630 PolarHBondContact O-OG1 3.08Å; S628-T630 VanDerWaalsContact C-N 3.27Å; S628-T630 PolarHBondContact O-N 3.16Å; T630-C634 VanDerWaalsContact O-CB 3.25Å; T630-C634 WeakPolarHBondContact O-CB 2.93Å; T630-C634 PolarHBondContact O-N 3.39Å; T630-R638 PolarHBondContact OG1-NH1 3.45Å; T630-R638 PolarHBondContact OG1-NH2 2.82Å |
| 631 | A | 32.4 | Very low | 32.4 | Very low | 46 Ų | 46 | 109 Ų | 109 | 38% | 0.38 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -74.9 | -36.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | E627 S628 R633 S635 | E627-A631 WeakPolarHBondContact O-CB 3.38Å; E627-A631 PolarHBondContact O-N 3.48Å; S628-A631 WeakPolarHBondContact O-CB 3.38Å; S628-A631 PolarHBondContact O-N 3.47Å; A631-R633 PolarHBondContact O-N 3.5Å; A631-S635 PolarHBondContact O-N 2.61Å |
| 632 | S | 34 | Very low | 32 | Very low | 94 Ų | 94 | 104.7 Ų | 104.7 | 66% | 0.657 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -76.1 | -23.5 | -173.7 | 68.8 | 0 | 0 | 0 | 0 | 114.2 | S628 | S628-S632 PolarHBondContact O-N 3.29Å |
| 633 | R | 29.9 | Very low | 31.5 | Very low | 234 Ų | 234 | 108.5 Ų | 108.5 | 88% | 0.883 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -103.2 | -14.4 | 174 | -76.5 | -174.3 | 169.5 | -174.2 | -1.2 | 114.9 | A631 | A631-R633 PolarHBondContact O-N 3.5Å |
| 634 | C | 29.9 | Very low | 31.5 | Very low | 63 Ų | 63 | 115.9 Ų | 115.9 | 43% | 0.426 | 62% | 0.624 | S | S | . | * | trans | -108.8 | 29.8 | 176.6 | -66.1 | 0 | 0 | 0 | 0 | 114.3 | T630 S636 A637 | T630-C634 VanDerWaalsContact O-CB 3.25Å; T630-C634 WeakPolarHBondContact O-CB 2.93Å; T630-C634 PolarHBondContact O-N 3.39Å; C634-S636 PolarHBondContact O-N 3Å; C634-A637 PolarHBondContact O-N 2.71Å | ||
| 635 | S | 29.3 | Very low | 31.3 | Very low | 97 Ų | 97 | 116.7 Ų | 116.7 | 68% | 0.678 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.2 | -6.8 | 173.9 | 51.3 | 0 | 0 | 0 | 0 | 114.5 | A631 | A631-S635 PolarHBondContact O-N 2.61Š|
| 636 | S | 31.6 | Very low | 31.1 | Very low | 122 Ų | 122 | 118.6 Ų | 118.6 | 85% | 0.853 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.5 | 1.6 | 170.9 | -55.9 | 0 | 0 | 0 | 0 | 115.6 | C634 | C634-S636 PolarHBondContact O-N 3Š|
| 637 | A | 31.3 | Very low | 30.8 | Very low | 67 Ų | 67 | 112.2 Ų | 112.2 | 55% | 0.554 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.1 | -16 | -176.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | C634 T639 | C634-A637 PolarHBondContact O-N 2.71Å; A637-T639 PolarHBondContact O-N 3.03Å |
| 638 | R | 27.9 | Very low | 30.6 | Very low | 129 Ų | 129 | 109.3 Ų | 109.3 | 49% | 0.487 | 63% | 0.63 | S | S | . | * | G | 310 helix | trans | -84.8 | -4 | -173.1 | -103 | -176.6 | -173.9 | 161.7 | 8.1 | 116.7 | E627 T630 L640 | E627-R638 PolarHBondContact O-NH1 3.33Å; E627-R638 VanDerWaalsContact O-NH1 3.14Å; T630-R638 PolarHBondContact OG1-NH1 3.45Å; T630-R638 PolarHBondContact OG1-NH2 2.82Å; R638-L640 PolarHBondContact O-N 2.93Å |
| 639 | T | 29.8 | Very low | 30.5 | Very low | 134 Ų | 134 | 114.6 Ų | 114.6 | 82% | 0.822 | 66% | 0.655 | S | S | * | * | G | 310 helix | trans | -70.2 | -1.2 | 174.2 | -29.4 | 0 | 0 | 0 | 0 | 113.6 | A637 | A637-T639 PolarHBondContact O-N 3.03Š|
| 640 | L | 29.7 | Very low | 30.4 | Very low | 146 Ų | 146 | 114.1 Ų | 114.1 | 76% | 0.764 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -115.4 | -5.8 | -176.4 | -78.2 | 156.1 | 0 | 0 | 0 | 115.7 | R638 | R638-L640 PolarHBondContact O-N 2.93Š|
| 641 | A | 30.7 | Very low | 30.5 | Very low | 65 Ų | 65 | 115.3 Ų | 115.3 | 54% | 0.537 | 66% | 0.657 | S | S | . | * | S | Bend | trans | -90 | -22.9 | -171.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | K643 | A641-K643 VanDerWaalsContact C-N 3.3Å; A641-K643 PolarHBondContact O-N 3.21Å |
| 642 | S | 31.7 | Very low | 30.4 | Very low | 114 Ų | 114 | 123.2 Ų | 123.2 | 80% | 0.797 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | 4.3 | -175.5 | 65.1 | 0 | 0 | 0 | 0 | 115.6 | ||
| 643 | K | 29 | Very low | 30.2 | Very low | 160 Ų | 160 | 122.8 Ų | 122.8 | 70% | 0.696 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.9 | 3.6 | 174.7 | -85 | -176.6 | 175.9 | 177.3 | 0 | 115.1 | A641 S645 | A641-K643 VanDerWaalsContact C-N 3.3Å; A641-K643 PolarHBondContact O-N 3.21Å; K643-S645 PolarHBondContact O-N 2.78Å |
| 644 | R | 29.7 | Very low | 30.1 | Very low | 219 Ų | 219 | 116.3 Ų | 116.3 | 83% | 0.826 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | -15.4 | -173.3 | -84.5 | -175.1 | 172.2 | -175.9 | -2.2 | 115.8 | ||
| 645 | S | 31.3 | Very low | 30 | Very low | 122 Ų | 122 | 119.9 Ų | 119.9 | 85% | 0.853 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | 4.8 | -176.2 | 57.3 | 0 | 0 | 0 | 0 | 115.8 | K643 | K643-S645 PolarHBondContact O-N 2.78Š|
| 646 | S | 28.7 | Very low | 29.9 | Very low | 101 Ų | 101 | 119.6 Ų | 119.6 | 71% | 0.706 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -134.8 | 10.6 | -177.2 | 57.5 | 0 | 0 | 0 | 0 | 116.6 | ||
| 647 | M | 27 | Very low | 29.7 | Very low | 99 Ų | 99 | 119.7 Ų | 119.7 | 49% | 0.488 | 68% | 0.679 | S | S | . | * | trans | -99.8 | 119.2 | -176.2 | -69.1 | -179 | 62.5 | 0 | 0 | 112.6 | Q651 | M647-Q651 HydrophobicContact CE-CB 3.36Å; M647-Q651 HydrophobicContact CE-CG 4Å; M647-Q651 VanDerWaalsContact CE-OE1 3.29Å | ||
| 648 | S | 31.1 | Very low | 29.6 | Very low | 73 Ų | 73 | 121.9 Ų | 121.9 | 51% | 0.51 | 69% | 0.687 | S | S | . | * | trans | -65.1 | 152.5 | 174.1 | 63.4 | 0 | 0 | 0 | 0 | 111.9 | S650 Q651 | S648-S650 PolarHBondContact O-N 3.16Å; S648-S650 PolarHBondContact OG-OG 2.94Å; S648-S650 VanDerWaalsContact OG-OG 3.1Å; S648-Q651 PolarHBondContact O-N 3.3Å | ||
| 649 | L | 30.5 | Very low | 29.6 | Very low | 154 Ų | 154 | 119.3 Ų | 119.3 | 81% | 0.806 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -48.7 | -30.1 | -177.3 | -101.7 | 85.9 | 0 | 0 | 0 | 114.5 | Q651 R652 | L649-Q651 PolarHBondContact O-N 3.12Å; L649-R652 PolarHBondContact O-N 2.9Å |
| 650 | S | 31.7 | Very low | 29.4 | Very low | 95 Ų | 95 | 119 Ų | 119 | 66% | 0.664 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -63.8 | -19.6 | 178 | 59.4 | 0 | 0 | 0 | 0 | 114.5 | S648 | S648-S650 PolarHBondContact O-N 3.16Å; S648-S650 PolarHBondContact OG-OG 2.94Å; S648-S650 VanDerWaalsContact OG-OG 3.1Å |
| 651 | Q | 33.2 | Very low | 29.6 | Very low | 88 Ų | 88 | 117 Ų | 117 | 41% | 0.411 | 68% | 0.683 | S | S | . | * | G | 310 helix | trans | -88.6 | -7.7 | 177.3 | -76.3 | 177.7 | -43 | 0 | 0 | 114.1 | M647 S648 L649 | M647-Q651 HydrophobicContact CE-CB 3.36Å; M647-Q651 HydrophobicContact CE-CG 4Å; M647-Q651 VanDerWaalsContact CE-OE1 3.29Å; S648-Q651 PolarHBondContact O-N 3.3Å; L649-Q651 PolarHBondContact O-N 3.12Å |
| 652 | R | 30.2 | Very low | 29.7 | Very low | 211 Ų | 211 | 121.4 Ų | 121.4 | 80% | 0.796 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -74.3 | -26.5 | 175.5 | -80 | -174.9 | 177.6 | 178.4 | -0.2 | 113.1 | L649 S654 | L649-R652 PolarHBondContact O-N 2.9Å; R652-S654 VanDerWaalsContact C-N 3.33Å; R652-S654 PolarHBondContact O-N 3.16Å |
| 653 | A | 29.4 | Very low | 29.8 | Very low | 86 Ų | 86 | 124 Ų | 124 | 71% | 0.711 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -75.9 | -13.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 654 | S | 28.7 | Very low | 30.1 | Very low | 98 Ų | 98 | 119.8 Ų | 119.8 | 69% | 0.685 | 68% | 0.684 | S | S | * | * | G | 310 helix | trans | -98.6 | 12.9 | -178.2 | 71.9 | 0 | 0 | 0 | 0 | 114.6 | R652 | R652-S654 VanDerWaalsContact C-N 3.33Å; R652-S654 PolarHBondContact O-N 3.16Å |
| 655 | L | 27.1 | Very low | 30.2 | Very low | 138 Ų | 138 | 116.8 Ų | 116.8 | 72% | 0.723 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -104.3 | 12.7 | 175.5 | -83.5 | 161.6 | 0 | 0 | 0 | 113.2 | D657 | L655-D657 PolarHBondContact O-N 3.28Š|
| 656 | A | 28.2 | Very low | 30.5 | Very low | 90 Ų | 90 | 114.7 Ų | 114.7 | 74% | 0.744 | 67% | 0.671 | S | S | * | * | trans | -73 | 77 | 161.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 657 | D | 27.7 | Very low | 30.8 | Very low | 125 Ų | 125 | 119.6 Ų | 119.6 | 67% | 0.668 | 67% | 0.674 | S | S | * | * | trans | -65.3 | 127.2 | 169.4 | -143.3 | 4.1 | 0 | 0 | 0 | 107.5 | L655 G659 | L655-D657 PolarHBondContact O-N 3.28Å; D657-G659 PolarHBondContact O-N 3.28Å; D657-G659 VanDerWaalsContact O-N 3.07Å | ||
| 658 | P | 28 | Very low | 31 | Very low | 112 Ų | 112 | 121.6 Ų | 121.6 | 73% | 0.727 | 69% | 0.686 | S | S | * | * | trans | -71.1 | 109.8 | -174.3 | 20.9 | -19.3 | 0 | 0 | 0 | 109.9 | I660 | P658-I660 PolarHBondContact O-N 3.15Š| ||
| 659 | G | 27.9 | Very low | 31.1 | Very low | 75 Ų | 75 | 126.7 Ų | 126.7 | 77% | 0.773 | 70% | 0.699 | S | S | * | * | trans | 52.3 | 60.8 | 152.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | D657 D661 | D657-G659 PolarHBondContact O-N 3.28Å; D657-G659 VanDerWaalsContact O-N 3.07Å; G659-D661 PolarHBondContact O-N 3.08Å | ||
| 660 | I | 26.8 | Very low | 31.4 | Very low | 128 Ų | 128 | 122.9 Ų | 122.9 | 66% | 0.656 | 69% | 0.685 | S | S | * | * | trans | -81.8 | 93.8 | 159.3 | -59.1 | 175.7 | 0 | 0 | 0 | 107.2 | P658 L662 | P658-I660 PolarHBondContact O-N 3.15Å; I660-L662 PolarHBondContact O-N 3.46Å | ||
| 661 | D | 33.2 | Very low | 31.5 | Very low | 105 Ų | 105 | 125.4 Ų | 125.4 | 56% | 0.561 | 69% | 0.69 | S | S | * | * | trans | -58.9 | 104 | 176.4 | -177 | 8.8 | 0 | 0 | 0 | 110.6 | G659 K663 S664 | G659-D661 PolarHBondContact O-N 3.08Å; D661-K663 PolarHBondContact O-N 3.29Å; D661-K663 WeakPolarHBondContact OD1-CB 3.45Å; D661-K663 PolarHBondContact OD1-N 3.01Å; D661-K663 VanDerWaalsContact OD1-N 3.15Å; D661-S664 PolarHBondContact O-N 2.76Å; D661-S664 PolarHBondContact O-OG 2.87Å | ||
| 662 | L | 32.1 | Very low | 31.6 | Very low | 157 Ų | 157 | 125.3 Ų | 125.3 | 82% | 0.822 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.4 | -18.8 | 178.2 | -113.9 | 81.7 | 0 | 0 | 0 | 112.9 | I660 S664 | I660-L662 PolarHBondContact O-N 3.46Å; L662-S664 VanDerWaalsContact C-N 3.29Å; L662-S664 PolarHBondContact O-N 3.19Å |
| 663 | K | 35 | Very low | 31.8 | Very low | 169 Ų | 169 | 123.8 Ų | 123.8 | 74% | 0.735 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -71.1 | -21 | 177.3 | -75 | -179.6 | 174.3 | 173.9 | 0 | 113.7 | D661 | D661-K663 PolarHBondContact O-N 3.29Å; D661-K663 WeakPolarHBondContact OD1-CB 3.45Å; D661-K663 PolarHBondContact OD1-N 3.01Å; D661-K663 VanDerWaalsContact OD1-N 3.15Å |
| 664 | S | 34.8 | Very low | 32.1 | Very low | 70 Ų | 70 | 126.5 Ų | 126.5 | 49% | 0.49 | 71% | 0.708 | S | S | . | * | H | α-helix | trans | -76.2 | -26.7 | -178.1 | 62.2 | 0 | 0 | 0 | 0 | 113.7 | D661 L662 | D661-S664 PolarHBondContact O-N 2.76Å; D661-S664 PolarHBondContact O-OG 2.87Å; L662-S664 VanDerWaalsContact C-N 3.29Å; L662-S664 PolarHBondContact O-N 3.19Å |
| 665 | M | 31.5 | Very low | 32.3 | Very low | 157 Ų | 157 | 129.4 Ų | 129.4 | 77% | 0.773 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -76.2 | -25.5 | 176.7 | -83 | -164.2 | 134.4 | 0 | 0 | 114 | R667 L668 | M665-R667 PolarHBondContact O-N 2.86Å; M665-L668 PolarHBondContact O-N 2.72Å |
| 666 | A | 37.2 | Very low | 32.6 | Very low | 77 Ų | 77 | 131.7 Ų | 131.7 | 64% | 0.636 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -68.8 | -23 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 667 | R | 34.8 | Very low | 32.9 | Very low | 205 Ų | 205 | 135.1 Ų | 135.1 | 77% | 0.774 | 73% | 0.728 | S | S | * | * | H | α-helix | trans | -86 | -19.3 | 179.5 | -99.2 | -178.7 | 174.8 | 166.1 | -1.2 | 115 | M665 S670 | M665-R667 PolarHBondContact O-N 2.86Å; R667-S670 PolarHBondContact O-OG 3.49Å |
| 668 | L | 32.4 | Very low | 33.2 | Very low | 141 Ų | 141 | 136.9 Ų | 136.9 | 74% | 0.738 | 74% | 0.738 | S | S | * | * | H | α-helix | trans | -84.6 | -21 | -179.1 | -89.8 | 160.2 | 0 | 0 | 0 | 113.7 | M665 | M665-L668 PolarHBondContact O-N 2.72Å |
| 669 | K | 34 | Very low | 33.5 | Very low | 179 Ų | 179 | 141 Ų | 141 | 78% | 0.778 | 75% | 0.745 | S | S | * | * | H | α-helix | trans | -80.5 | -24.1 | 174.8 | -85.3 | -173.4 | 175 | -179 | 0 | 114.3 | ||
| 670 | S | 36.1 | Very low | 33.8 | Very low | 75 Ų | 75 | 153 Ų | 153 | 52% | 0.524 | 77% | 0.767 | S | S | . | * | S | Bend | trans | -83.1 | -11 | -179.4 | 60.1 | 0 | 0 | 0 | 0 | 114.6 | R667 | R667-S670 PolarHBondContact O-OG 3.49Š|
| 671 | L | 33.6 | Very low | 34.2 | Very low | 147 Ų | 147 | 154.3 Ų | 154.3 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -98 | -10.6 | 179.3 | -105.6 | 130.3 | 0 | 0 | 0 | 114.7 | ||
| 672 | A | 35.4 | Very low | 34.2 | Very low | 87 Ų | 87 | 156.9 Ų | 156.9 | 72% | 0.719 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -90.5 | -7.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 673 | Q | 34.3 | Very low | 34.4 | Very low | 178 Ų | 178 | 156.9 Ų | 156.9 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -108.5 | 6.2 | -170.9 | -116.9 | 167.6 | -6.5 | 0 | 0 | 115.8 | ||
| 674 | I | 35.4 | Very low | 34.3 | Very low | 143 Ų | 143 | 156.2 Ų | 156.2 | 73% | 0.733 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -102.4 | -5.7 | -178.1 | -68.8 | 172.4 | 0 | 0 | 0 | 113.5 | ||
| 675 | N | 33.6 | Very low | 34.3 | Very low | 159 Ų | 159 | 161.6 Ų | 161.6 | 85% | 0.85 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -105.6 | 10.1 | -168.8 | -113.1 | 6.3 | 0 | 0 | 0 | 118.1 | ||
| 676 | E | 33.7 | Very low | 34.5 | Very low | 187 Ų | 187 | 161.9 Ų | 161.9 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -110.1 | -5.8 | 177.8 | -76.5 | -154.8 | 151.6 | 0 | 0 | 116.8 | N678 | E676-N678 PolarHBondContact O-N 3Š|
| 677 | N | 34.6 | Very low | 34.3 | Very low | 161 Ų | 161 | 167.9 Ų | 167.9 | 86% | 0.861 | 82% | 0.816 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.4 | 24.6 | -177 | -88 | -0.3 | 0 | 0 | 0 | 116.2 | ||
| 678 | N | 33.3 | Very low | 34.3 | Very low | 163 Ų | 163 | 165.1 Ų | 165.1 | 87% | 0.872 | 82% | 0.819 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.3 | 28 | 177.8 | -102.6 | -13.9 | 0 | 0 | 0 | 115.8 | E676 | E676-N678 PolarHBondContact O-N 3Š|
| 679 | K | 33.5 | Very low | 34.4 | Very low | 199 Ų | 199 | 167.1 Ų | 167.1 | 87% | 0.865 | 83% | 0.826 | S | S | * | * | trans | -142.5 | 73.3 | 166 | -74.2 | -170.5 | 179.1 | 176.7 | 0 | 112 | ||||
| 680 | R | 35.5 | Very low | 34.5 | Very low | 327 Ų | 327 | 166 Ų | 166 | 100% | 1.234 | 83% | 0.83 | S | S | * | * | trans | -173.6 | 0 | 141.8 | -106.1 | 170.7 | -172.2 | -168.6 | 2.7 | 111.1 |
Retrieved 680 of 680 residues in 342.1 ms
(Link to these results)