| 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 | 83.3 | Confident | 90.6 | Very high | 137 Ų | 137 | 62.1 Ų | 62.1 | 68% | 0.675 | 35% | 0.345 | S | S | * | . | 0 | 125.8 | 0 | -157.5 | 159.9 | -170.2 | 0 | 0 | 107.7 | D5 L6 P24 V29 | M1-D5 VanDerWaalsContact CA-OD2 3.22Å; M1-D5 WeakPolarHBondContact CA-OD2 3.45Å; M1-D5 HydrophobicContact CG-CB 3.97Å; M1-L6 HydrophobicContact CE-CD2 3.54Å; M1-L6 HydrophobicContact CG-CD2 4.16Å; M1-L6 HydrophobicContact SD-CD2 4.18Å; M1-P24 WeakPolarHBondContact O-CD 3.23Å; M1-V29 HydrophobicContact CE-CG1 3.96Å; M1-V29 HydrophobicContact SD-CG1 3.51Å; M1-V29 VanDerWaalsContact SD-CG1 3.51Å; M1-V29 HydrophobicContact SD-CG2 4.2Å | |||
| 2 | T | 92.1 | Very high | 90.5 | Very high | 70 Ų | 70 | 56.9 Ų | 56.9 | 43% | 0.429 | 32% | 0.316 | S | S | . | . | trans | -106.5 | 168.4 | -179.3 | 71.6 | 0 | 0 | 0 | 0 | 110.3 | S4 D5 L6 | T2-S4 PolarHBondContact O-N 3.3Å; T2-S4 PolarHBondContact OG1-N 3.04Å; T2-D5 PolarHBondContact N-OD2 3.45Å; T2-D5 WeakPolarHBondContact O-CB 3.43Å; T2-D5 PolarHBondContact O-N 3.12Å; T2-D5 VanDerWaalsContact O-N 3.11Å; T2-D5 PolarHBondContact OG1-N 2.86Å; T2-D5 PolarHBondContact OG1-OD1 3.03Å; T2-D5 VanDerWaalsContact OG1-OD1 3.08Å; T2-D5 PolarHBondContact OG1-OD2 2.8Å; T2-L6 PolarHBondContact O-N 3.2Å | ||
| 3 | F | 93.1 | Very high | 90.6 | Very high | 13 Ų | 13 | 53.9 Ų | 53.9 | 6% | 0.057 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -31.6 | 171.9 | -78.9 | -72.2 | 0 | 0 | 0 | 113 | D5 L6 L8 C16 W21 P24 L57 | F3-D5 VanDerWaalsContact C-N 3.3Å; F3-D5 PolarHBondContact O-N 2.97Å; F3-L6 HydrophobicContact CD1-CD1 4.32Å; F3-L6 WeakPolarHBondContact O-CB 3.48Å; F3-L6 PolarHBondContact O-N 3.42Å; F3-L8 HydrophobicContact CB-CD1 4.06Å; F3-L8 HydrophobicContact CD1-CD1 3.65Å; F3-L8 HydrophobicContact CG-CD1 4.28Å; F3-L8 WeakPolarHBondContact O-CB 3.4Å; F3-L8 PolarHBondContact O-N 3.5Å; F3-C16 HydrophobicContact CD2-CB 3.9Å; F3-C16 HydrophobicContact CE2-CB 4.01Å; F3-C16 HydrophobicContact CG-CB 4.32Å; F3-W21 HydrophobicContact CE2-CB 3.85Å; F3-W21 WeakPolarHBondContact CE2-O 3.35Å; F3-W21 HydrophobicContact CZ-CB 4.07Å; F3-W21 HydrophobicContact CZ-CE3 4.04Å; F3-P24 HydrophobicContact CD1-CB 4.08Å; F3-P24 HydrophobicContact CE1-CB 3.76Å; F3-P24 HydrophobicContact CE2-CB 4.41Å; F3-P24 HydrophobicContact CZ-CB 3.94Å; F3-L57 HydrophobicContact CD1-CD1 4.21Å; F3-L57 HydrophobicContact CE1-CD1 3.89Å |
| 4 | S | 92.8 | Very high | 90.5 | Very high | 76 Ų | 76 | 52.6 Ų | 52.6 | 53% | 0.531 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -65.3 | -36.1 | 174.4 | -170.1 | 0 | 0 | 0 | 0 | 111.5 | T2 L6 G7 | T2-S4 PolarHBondContact O-N 3.3Å; T2-S4 PolarHBondContact OG1-N 3.04Å; S4-L6 PolarHBondContact O-N 2.92Å; S4-G7 PolarHBondContact O-N 3Å; S4-G7 VanDerWaalsContact O-N 3.08Å |
| 5 | D | 93.5 | Very high | 90.4 | Very high | 98 Ų | 98 | 49.1 Ų | 49.1 | 52% | 0.524 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -67 | -19.9 | 178.4 | -54.1 | -19.1 | 0 | 0 | 0 | 112 | M1 T2 F3 G7 | M1-D5 VanDerWaalsContact CA-OD2 3.22Å; M1-D5 WeakPolarHBondContact CA-OD2 3.45Å; M1-D5 HydrophobicContact CG-CB 3.97Å; T2-D5 PolarHBondContact N-OD2 3.45Å; T2-D5 WeakPolarHBondContact O-CB 3.43Å; T2-D5 PolarHBondContact O-N 3.12Å; T2-D5 VanDerWaalsContact O-N 3.11Å; T2-D5 PolarHBondContact OG1-N 2.86Å; T2-D5 PolarHBondContact OG1-OD1 3.03Å; T2-D5 VanDerWaalsContact OG1-OD1 3.08Å; T2-D5 PolarHBondContact OG1-OD2 2.8Å; F3-D5 VanDerWaalsContact C-N 3.3Å; F3-D5 PolarHBondContact O-N 2.97Å; D5-G7 VanDerWaalsContact C-N 3.26Å; D5-G7 PolarHBondContact O-N 3.42Å |
| 6 | L | 94.2 | Very high | 90.5 | Very high | 6 Ų | 6 | 46 Ų | 46 | 3% | 0.031 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -81.6 | -2.6 | 175.5 | -53.2 | -172.3 | 0 | 0 | 0 | 113.3 | M1 T2 F3 S4 P24 V29 I32 P33 | M1-L6 HydrophobicContact CE-CD2 3.54Å; M1-L6 HydrophobicContact CG-CD2 4.16Å; M1-L6 HydrophobicContact SD-CD2 4.18Å; T2-L6 PolarHBondContact O-N 3.2Å; F3-L6 HydrophobicContact CD1-CD1 4.32Å; F3-L6 WeakPolarHBondContact O-CB 3.48Å; F3-L6 PolarHBondContact O-N 3.42Å; S4-L6 PolarHBondContact O-N 2.92Å; L6-P24 HydrophobicContact CD1-CB 3.64Å; L6-P24 HydrophobicContact CD1-CG 4.05Å; L6-V29 HydrophobicContact CD2-CB 4.36Å; L6-V29 HydrophobicContact CD2-CG1 4.36Å; L6-V29 HydrophobicContact CD2-CG2 4.24Å; L6-I32 HydrophobicContact CB-CB 4.47Å; L6-I32 HydrophobicContact CB-CG2 4.08Å; L6-I32 HydrophobicContact CD1-CB 4.29Å; L6-I32 HydrophobicContact CD1-CD1 3.9Å; L6-P33 HydrophobicContact CD2-CG 4.49Å |
| 7 | G | 91.6 | Very high | 90.4 | Very high | 46 Ų | 46 | 51.6 Ų | 51.6 | 47% | 0.474 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87 | 16.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | S4 D5 Q61 | S4-G7 PolarHBondContact O-N 3Å; S4-G7 VanDerWaalsContact O-N 3.08Å; D5-G7 VanDerWaalsContact C-N 3.26Å; D5-G7 PolarHBondContact O-N 3.42Å; G7-Q61 PolarHBondContact O-NE2 3Å |
| 8 | L | 92.7 | Very high | 90.4 | Very high | 8 Ų | 8 | 55.7 Ų | 55.7 | 4% | 0.042 | 29% | 0.294 | C | S | . | . | trans | -77.5 | 142.2 | 174.4 | -65.6 | 175.7 | 0 | 0 | 0 | 112 | F3 L12 I32 L36 L57 | F3-L8 HydrophobicContact CB-CD1 4.06Å; F3-L8 HydrophobicContact CD1-CD1 3.65Å; F3-L8 HydrophobicContact CG-CD1 4.28Å; F3-L8 WeakPolarHBondContact O-CB 3.4Å; F3-L8 PolarHBondContact O-N 3.5Å; L8-L12 HydrophobicContact CD2-CD1 4.28Å; L8-I32 HydrophobicContact CD1-CD1 4.48Å; L8-I32 HydrophobicContact CD2-CG2 3.95Å; L8-I32 HydrophobicContact CG-CG2 4.16Å; L8-L36 HydrophobicContact CD2-CD1 4.33Å; L8-L57 HydrophobicContact CD1-CB 4.3Å; L8-L57 HydrophobicContact CD1-CD1 3.83Å; L8-L57 HydrophobicContact CD2-CB 4.14Å | ||
| 9 | I | 88.8 | Confident | 90.2 | Very high | 27 Ų | 27 | 54.9 Ų | 54.9 | 14% | 0.138 | 29% | 0.289 | C | S | . | . | trans | -67.5 | 158.8 | 176.4 | 63.2 | 177.4 | 0 | 0 | 0 | 111.6 | E11 L12 C13 Q61 I64 L297 | I9-E11 VanDerWaalsContact C-N 3.26Å; I9-E11 WeakPolarHBondContact CB-OE2 3.45Å; I9-E11 HydrophobicContact CD1-CB 4.34Å; I9-E11 HydrophobicContact CG1-CB 4.44Å; I9-E11 PolarHBondContact O-N 3.43Å; I9-L12 HydrophobicContact CD1-CD1 4.47Å; I9-L12 HydrophobicContact CD1-CG 4.3Å; I9-L12 HydrophobicContact CG1-CB 4.06Å; I9-L12 HydrophobicContact CG1-CD1 4.1Å; I9-L12 HydrophobicContact CG1-CG 3.92Å; I9-L12 PolarHBondContact O-N 3.16Å; I9-C13 PolarHBondContact O-N 2.96Å; I9-C13 PolarHBondContact O-SG 3.22Å; I9-C13 VanDerWaalsContact O-SG 3.32Å; I9-Q61 HydrophobicContact CG2-CG 4.38Å; I9-I64 HydrophobicContact CD1-CB 4.08Å; I9-I64 HydrophobicContact CD1-CD1 3.83Å; I9-I64 HydrophobicContact CD1-CG2 3.57Å; I9-L297 HydrophobicContact CB-CD1 4.49Å; I9-L297 HydrophobicContact CG2-CD1 3.7Å | ||
| 10 | K | 88.7 | Confident | 90.1 | Very high | 163 Ų | 163 | 60.8 Ų | 60.8 | 71% | 0.709 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -59.1 | -37.5 | -175.1 | -176.3 | -177 | 175.7 | -173.7 | 0 | 112.5 | C13 S14 | K10-C13 PolarHBondContact O-N 3.45Å; K10-S14 WeakPolarHBondContact O-CB 3.49Å; K10-S14 PolarHBondContact O-N 3.01Å; K10-S14 PolarHBondContact O-OG 3.45Å |
| 11 | E | 86.2 | Confident | 90.1 | Very high | 39 Ų | 39 | 60.7 Ų | 60.7 | 18% | 0.182 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.1 | -46.8 | 179.8 | -62.4 | 70.3 | -156.3 | 0 | 0 | 110.1 | I9 S14 V15 Y96 L101 F103 | I9-E11 VanDerWaalsContact C-N 3.26Å; I9-E11 WeakPolarHBondContact CB-OE2 3.45Å; I9-E11 HydrophobicContact CD1-CB 4.34Å; I9-E11 HydrophobicContact CG1-CB 4.44Å; I9-E11 PolarHBondContact O-N 3.43Å; E11-S14 WeakPolarHBondContact O-CB 3.48Å; E11-S14 PolarHBondContact O-N 3.3Å; E11-V15 WeakPolarHBondContact O-CG2 3.35Å; E11-V15 PolarHBondContact O-N 3.29Å; E11-Y96 HydrophobicContact CB-CD1 4.38Å; E11-Y96 HydrophobicContact CB-CE1 4.01Å; E11-Y96 HydrophobicContact CB-CE2 4.46Å; E11-Y96 HydrophobicContact CG-CD1 4.48Å; E11-Y96 HydrophobicContact CG-CE1 3.85Å; E11-L101 HydrophobicContact CG-CD2 3.96Å; E11-F103 HydrophobicContact CB-CE1 4.49Å |
| 12 | L | 89.4 | Confident | 90.1 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -70.1 | -37 | 177.1 | -74 | -178.6 | 0 | 0 | 0 | 112.7 | L8 I9 S14 V15 C16 L57 I60 Q61 I64 | L8-L12 HydrophobicContact CD2-CD1 4.28Å; I9-L12 HydrophobicContact CD1-CD1 4.47Å; I9-L12 HydrophobicContact CD1-CG 4.3Å; I9-L12 HydrophobicContact CG1-CB 4.06Å; I9-L12 HydrophobicContact CG1-CD1 4.1Å; I9-L12 HydrophobicContact CG1-CG 3.92Å; I9-L12 PolarHBondContact O-N 3.16Å; L12-S14 PolarHBondContact O-N 3.07Å; L12-V15 WeakPolarHBondContact O-CB 3.42Å; L12-V15 PolarHBondContact O-N 2.94Å; L12-C16 PolarHBondContact O-N 3.22Å; L12-C16 PolarHBondContact O-SG 3.36Å; L12-L57 HydrophobicContact CD2-CD2 4.35Å; L12-I60 HydrophobicContact CD1-CG2 4.42Å; L12-I60 HydrophobicContact CD2-CB 4.41Å; L12-I60 HydrophobicContact CD2-CG2 3.73Å; L12-Q61 HydrophobicContact CD1-CB 3.61Å; L12-Q61 HydrophobicContact CD1-CG 4.41Å; L12-I64 HydrophobicContact CD1-CD1 4.42Å; L12-I64 HydrophobicContact CD2-CD1 4.19Å; L12-I64 HydrophobicContact CG-CD1 4.13Å |
| 13 | C | 91.8 | Very high | 90.1 | Very high | 18 Ų | 18 | 62.2 Ų | 62.2 | 12% | 0.122 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -58.3 | -40.1 | 171.4 | -66.1 | 0 | 0 | 0 | 0 | 111.5 | I9 K10 C16 Q17 | I9-C13 PolarHBondContact O-N 2.96Å; I9-C13 PolarHBondContact O-SG 3.22Å; I9-C13 VanDerWaalsContact O-SG 3.32Å; K10-C13 PolarHBondContact O-N 3.45Å; C13-C16 WeakPolarHBondContact O-CB 3.49Å; C13-C16 PolarHBondContact O-N 3.5Å; C13-Q17 WeakPolarHBondContact O-CG 3.49Å; C13-Q17 PolarHBondContact O-N 3.03Å |
| 14 | S | 89.1 | Confident | 90.1 | Very high | 35 Ų | 35 | 62.2 Ų | 62.2 | 25% | 0.245 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -68.6 | -37.6 | 177.1 | -53.9 | 0 | 0 | 0 | 0 | 111.7 | K10 E11 L12 Q17 R18 | K10-S14 WeakPolarHBondContact O-CB 3.49Å; K10-S14 PolarHBondContact O-N 3.01Å; K10-S14 PolarHBondContact O-OG 3.45Å; E11-S14 WeakPolarHBondContact O-CB 3.48Å; E11-S14 PolarHBondContact O-N 3.3Å; L12-S14 PolarHBondContact O-N 3.07Å; S14-Q17 PolarHBondContact O-N 3.2Å; S14-R18 PolarHBondContact O-N 3.37Å |
| 15 | V | 89.4 | Confident | 90.1 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.1 | -47.6 | 171.4 | 172.2 | 0 | 0 | 0 | 0 | 110.7 | E11 L12 Q17 R18 M19 L93 Y96 | E11-V15 WeakPolarHBondContact O-CG2 3.35Å; E11-V15 PolarHBondContact O-N 3.29Å; L12-V15 WeakPolarHBondContact O-CB 3.42Å; L12-V15 PolarHBondContact O-N 2.94Å; V15-Q17 VanDerWaalsContact C-N 3.32Å; V15-Q17 PolarHBondContact O-N 3.01Å; V15-R18 PolarHBondContact O-N 2.86Å; V15-M19 HydrophobicContact CG1-CG 4.29Å; V15-M19 WeakPolarHBondContact O-CB 3.42Å; V15-M19 VanDerWaalsContact O-CG 3.25Å; V15-M19 WeakPolarHBondContact O-CG 3.45Å; V15-M19 PolarHBondContact O-N 3Å; V15-L93 HydrophobicContact CG1-CD2 3.79Å; V15-Y96 HydrophobicContact CG2-CD2 3.52Å; V15-Y96 HydrophobicContact CG2-CE2 4.33Å; V15-Y96 HydrophobicContact CG2-CG 4.2Å |
| 16 | C | 91.4 | Very high | 90 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -56.4 | -44.8 | 176.8 | -67.5 | 0 | 0 | 0 | 0 | 111.7 | F3 L12 C13 M19 K20 W21 | F3-C16 HydrophobicContact CD2-CB 3.9Å; F3-C16 HydrophobicContact CE2-CB 4.01Å; F3-C16 HydrophobicContact CG-CB 4.32Å; L12-C16 PolarHBondContact O-N 3.22Å; L12-C16 PolarHBondContact O-SG 3.36Å; C13-C16 WeakPolarHBondContact O-CB 3.49Å; C13-C16 PolarHBondContact O-N 3.5Å; C16-M19 CarbonylContact O-C 3.48Å; C16-M19 PolarHBondContact O-N 3.43Å; C16-K20 PolarHBondContact O-N 2.92Å; C16-W21 HydrophobicContact CB-CB 4.21Å; C16-W21 WeakPolarHBondContact O-CB 3.44Å; C16-W21 PolarHBondContact O-N 3.46Å |
| 17 | Q | 89.6 | Confident | 90 | Very high | 141 Ų | 141 | 61.9 Ų | 61.9 | 66% | 0.659 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -62.3 | -43.8 | 176.7 | -72.8 | 175.1 | -9.2 | 0 | 0 | 112.5 | C13 S14 V15 M19 K20 | C13-Q17 WeakPolarHBondContact O-CG 3.49Å; C13-Q17 PolarHBondContact O-N 3.03Å; S14-Q17 PolarHBondContact O-N 3.2Å; V15-Q17 VanDerWaalsContact C-N 3.32Å; V15-Q17 PolarHBondContact O-N 3.01Å; Q17-M19 PolarHBondContact O-N 2.97Å; Q17-K20 WeakPolarHBondContact O-CA 3.49Å; Q17-K20 PolarHBondContact O-N 2.84Å |
| 18 | R | 89.1 | Confident | 90.1 | Very high | 125 Ų | 125 | 60 Ų | 60 | 47% | 0.472 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.5 | -33.8 | 175.8 | -173.1 | -174.9 | 63.3 | -173.4 | -3.1 | 112 | S14 V15 K20 R92 Q95 | S14-R18 PolarHBondContact O-N 3.37Å; V15-R18 PolarHBondContact O-N 2.86Å; R18-K20 PolarHBondContact O-N 3.48Å; R18-R92 PolarHBondContact NH2-O 3.43Å; R18-Q95 VanDerWaalsContact CZ-O 3.25Å; R18-Q95 PolarHBondContact NH1-O 2.79Å; R18-Q95 PolarHBondContact NH2-O 2.99Å |
| 19 | M | 86.7 | Confident | 90.2 | Very high | 42 Ų | 42 | 61.1 Ų | 61.1 | 21% | 0.207 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | 0.9 | 173.8 | -64.9 | -62.7 | -73.5 | 0 | 0 | 113.3 | V15 C16 Q17 W21 E89 R92 L93 | V15-M19 HydrophobicContact CG1-CG 4.29Å; V15-M19 WeakPolarHBondContact O-CB 3.42Å; V15-M19 VanDerWaalsContact O-CG 3.25Å; V15-M19 WeakPolarHBondContact O-CG 3.45Å; V15-M19 PolarHBondContact O-N 3Å; C16-M19 CarbonylContact O-C 3.48Å; C16-M19 PolarHBondContact O-N 3.43Å; Q17-M19 PolarHBondContact O-N 2.97Å; M19-W21 VanDerWaalsContact C-N 3.31Å; M19-W21 HydrophobicContact CB-CD2 4.45Å; M19-W21 HydrophobicContact CB-CG 4.28Å; M19-W21 VanDerWaalsContact O-CD1 3.28Å; M19-W21 PolarHBondContact O-N 3.34Å; M19-E89 VanDerWaalsContact CE-OE1 3.23Å; M19-E89 WeakPolarHBondContact CE-OE1 3.27Å; M19-R92 HydrophobicContact CE-CB 3.88Å; M19-R92 HydrophobicContact SD-CB 4.17Å; M19-L93 HydrophobicContact CG-CD2 4.03Å |
| 20 | K | 88.6 | Confident | 90.3 | Very high | 171 Ų | 171 | 61.8 Ų | 61.8 | 74% | 0.743 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.3 | 37.2 | -176.7 | -53 | -179 | 179.6 | -178 | 0 | 113.1 | C16 Q17 R18 D22 | C16-K20 PolarHBondContact O-N 2.92Å; Q17-K20 WeakPolarHBondContact O-CA 3.49Å; Q17-K20 PolarHBondContact O-N 2.84Å; R18-K20 PolarHBondContact O-N 3.48Å; K20-D22 PolarHBondContact O-N 3.49Å |
| 21 | W | 90.1 | Very high | 90.6 | Very high | 59 Ų | 59 | 54 Ų | 54 | 22% | 0.223 | 27% | 0.268 | C | S | . | . | trans | -93.1 | 88.5 | 171.6 | -63.5 | 4.4 | 0 | 0 | 0 | 108.2 | F3 C16 M19 L57 E89 L93 | F3-W21 HydrophobicContact CE2-CB 3.85Å; F3-W21 WeakPolarHBondContact CE2-O 3.35Å; F3-W21 HydrophobicContact CZ-CB 4.07Å; F3-W21 HydrophobicContact CZ-CE3 4.04Å; C16-W21 HydrophobicContact CB-CB 4.21Å; C16-W21 WeakPolarHBondContact O-CB 3.44Å; C16-W21 PolarHBondContact O-N 3.46Å; M19-W21 VanDerWaalsContact C-N 3.31Å; M19-W21 HydrophobicContact CB-CD2 4.45Å; M19-W21 HydrophobicContact CB-CG 4.28Å; M19-W21 VanDerWaalsContact O-CD1 3.28Å; M19-W21 PolarHBondContact O-N 3.34Å; W21-L57 HydrophobicContact CE3-CD1 4.42Å; W21-L57 HydrophobicContact CZ3-CD1 3.93Å; W21-L57 HydrophobicContact CZ3-CG 4.34Å; W21-E89 WeakPolarHBondContact CZ2-OE1 3.49Å; W21-L93 HydrophobicContact CH2-CD1 3.94Å; W21-L93 HydrophobicContact CH2-CD2 4.05Å; W21-L93 HydrophobicContact CZ2-CD2 4.46Å; W21-L93 HydrophobicContact CZ3-CD2 4.3Å | ||
| 22 | D | 83.8 | Confident | 91 | Very high | 156 Ų | 156 | 52.1 Ų | 52.1 | 83% | 0.834 | 26% | 0.259 | S | S | * | . | trans | -68.2 | -38.7 | -172.4 | -62.2 | -35.6 | 0 | 0 | 0 | 112.8 | K20 | K20-D22 PolarHBondContact O-N 3.49Š| ||
| 23 | S | 91.3 | Very high | 91.3 | Very high | 83 Ų | 83 | 54 Ų | 54 | 58% | 0.58 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -143.3 | 148.1 | 178.6 | 64.1 | 0 | 0 | 0 | 0 | 111.7 | ||
| 24 | P | 93.7 | Very high | 91.3 | Very high | 14 Ų | 14 | 55 Ų | 55 | 9% | 0.091 | 27% | 0.274 | C | S | . | . | trans | -70 | 139.6 | 179.5 | 28.1 | -34 | 0 | 0 | 0 | 111.1 | M1 F3 L6 Q28 V29 | M1-P24 WeakPolarHBondContact O-CD 3.23Å; F3-P24 HydrophobicContact CD1-CB 4.08Å; F3-P24 HydrophobicContact CE1-CB 3.76Å; F3-P24 HydrophobicContact CE2-CB 4.41Å; F3-P24 HydrophobicContact CZ-CB 3.94Å; L6-P24 HydrophobicContact CD1-CB 3.64Å; L6-P24 HydrophobicContact CD1-CG 4.05Å; P24-Q28 HydrophobicContact CB-CB 4.22Å; P24-V29 HydrophobicContact CB-CG2 3.97Å; P24-V29 HydrophobicContact CG-CG2 3.85Å | ||
| 25 | T | 93.4 | Very high | 91.6 | Very high | 47 Ų | 47 | 53.5 Ų | 53.5 | 29% | 0.288 | 26% | 0.263 | S | S | . | . | trans | -74.9 | 165.4 | 176.6 | 67.2 | 0 | 0 | 0 | 0 | 111.5 | I27 Q28 V29 S49 | T25-I27 VanDerWaalsContact C-N 3.31Å; T25-I27 PolarHBondContact O-N 3.38Å; T25-I27 WeakPolarHBondContact OG1-CG2 3.46Å; T25-Q28 WeakPolarHBondContact O-CA 3.45Å; T25-Q28 WeakPolarHBondContact O-CB 3.46Å; T25-Q28 PolarHBondContact O-N 2.79Å; T25-Q28 WeakPolarHBondContact OG1-CG 3.4Å; T25-V29 WeakPolarHBondContact O-CG2 3.38Å; T25-V29 PolarHBondContact O-N 3.44Å; T25-S49 WeakPolarHBondContact CB-O 3.42Å; T25-S49 WeakPolarHBondContact CG2-O 3.31Å; T25-S49 PolarHBondContact OG1-O 3.28Å | ||
| 26 | K | 91.8 | Very high | 91.7 | Very high | 126 Ų | 126 | 56.1 Ų | 56.1 | 55% | 0.548 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -53.9 | -45.9 | -179.4 | -69.5 | -176.8 | 179 | -175.3 | 0 | 112.7 | Q28 V29 N30 E263 | K26-Q28 VanDerWaalsContact C-N 3.29Å; K26-Q28 PolarHBondContact O-N 3.09Å; K26-V29 PolarHBondContact O-N 3.49Å; K26-N30 WeakPolarHBondContact O-CB 3.29Å; K26-N30 PolarHBondContact O-N 3.2Å; K26-N30 PolarHBondContact O-ND2 3.47Å; K26-E263 HydrophobicContact CB-CG 4.25Å; K26-E263 HydrophobicContact CD-CG 4.25Å |
| 27 | I | 92.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.4 | -35.9 | 178.3 | -167.8 | 61.9 | 0 | 0 | 0 | 111.7 | T25 S31 A45 S49 K51 Y238 I261 | T25-I27 VanDerWaalsContact C-N 3.31Å; T25-I27 PolarHBondContact O-N 3.38Å; T25-I27 WeakPolarHBondContact OG1-CG2 3.46Å; I27-S31 VanDerWaalsContact O-CB 3.25Å; I27-S31 WeakPolarHBondContact O-CB 3.46Å; I27-S31 PolarHBondContact O-N 3.14Å; I27-S31 VanDerWaalsContact O-N 3.1Å; I27-S31 PolarHBondContact O-OG 2.89Å; I27-A45 HydrophobicContact CB-CB 4.35Å; I27-A45 HydrophobicContact CD1-CB 4.28Å; I27-A45 HydrophobicContact CG1-CB 4.15Å; I27-S49 WeakPolarHBondContact CG2-O 3.46Å; I27-K51 HydrophobicContact CG1-CG 4.44Å; I27-Y238 HydrophobicContact CD1-CE1 4.14Å; I27-Y238 HydrophobicContact CG1-CE1 3.87Å; I27-I261 HydrophobicContact CD1-CB 4.25Å; I27-I261 HydrophobicContact CD1-CG2 3.64Å |
| 28 | Q | 94.7 | Very high | 91.3 | Very high | 6 Ų | 6 | 57.3 Ų | 57.3 | 3% | 0.028 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -69.6 | -45.8 | 177.3 | -70.1 | 169.3 | -2.3 | 0 | 0 | 111.4 | P24 T25 K26 N30 S31 I32 G50 A54 | P24-Q28 HydrophobicContact CB-CB 4.22Å; T25-Q28 WeakPolarHBondContact O-CA 3.45Å; T25-Q28 WeakPolarHBondContact O-CB 3.46Å; T25-Q28 PolarHBondContact O-N 2.79Å; T25-Q28 WeakPolarHBondContact OG1-CG 3.4Å; K26-Q28 VanDerWaalsContact C-N 3.29Å; K26-Q28 PolarHBondContact O-N 3.09Å; Q28-N30 VanDerWaalsContact C-N 3.27Å; Q28-N30 PolarHBondContact O-N 3.43Å; Q28-S31 PolarHBondContact O-N 3.35Å; Q28-I32 HydrophobicContact CB-CD1 3.78Å; Q28-I32 HydrophobicContact CB-CG1 4.41Å; Q28-I32 HydrophobicContact CG-CD1 4.22Å; Q28-I32 WeakPolarHBondContact O-CB 3.33Å; Q28-I32 VanDerWaalsContact O-CG1 3.28Å; Q28-I32 WeakPolarHBondContact O-CG1 3.35Å; Q28-I32 PolarHBondContact O-N 2.9Å; Q28-G50 PolarHBondContact NE2-O 2.99Å; Q28-A54 HydrophobicContact CG-CB 3.94Å |
| 29 | V | 94 | Very high | 91.2 | Very high | 31 Ų | 31 | 53.6 Ų | 53.6 | 19% | 0.188 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -55.1 | -45.3 | 175.9 | 170.6 | 0 | 0 | 0 | 0 | 111 | M1 L6 P24 T25 K26 P33 | M1-V29 HydrophobicContact CE-CG1 3.96Å; M1-V29 HydrophobicContact SD-CG1 3.51Å; M1-V29 VanDerWaalsContact SD-CG1 3.51Å; M1-V29 HydrophobicContact SD-CG2 4.2Å; L6-V29 HydrophobicContact CD2-CB 4.36Å; L6-V29 HydrophobicContact CD2-CG1 4.36Å; L6-V29 HydrophobicContact CD2-CG2 4.24Å; P24-V29 HydrophobicContact CB-CG2 3.97Å; P24-V29 HydrophobicContact CG-CG2 3.85Å; T25-V29 WeakPolarHBondContact O-CG2 3.38Å; T25-V29 PolarHBondContact O-N 3.44Å; K26-V29 PolarHBondContact O-N 3.49Å; V29-P33 VanDerWaalsContact O-CD 3.26Å; V29-P33 WeakPolarHBondContact O-CD 3.48Å |
| 30 | N | 91.8 | Very high | 91.4 | Very high | 41 Ų | 41 | 51.9 Ų | 51.9 | 22% | 0.219 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -83 | -15.4 | -174.2 | -69 | -18.6 | 0 | 0 | 0 | 114 | K26 Q28 F34 I261 | K26-N30 WeakPolarHBondContact O-CB 3.29Å; K26-N30 PolarHBondContact O-N 3.2Å; K26-N30 PolarHBondContact O-ND2 3.47Å; Q28-N30 VanDerWaalsContact C-N 3.27Å; Q28-N30 PolarHBondContact O-N 3.43Å; N30-F34 WeakPolarHBondContact O-CD2 3.49Å; N30-F34 WeakPolarHBondContact O-CE2 3.3Å; N30-I261 HydrophobicContact CB-CD1 4.45Å; N30-I261 HydrophobicContact CB-CG1 4.49Å; N30-I261 HydrophobicContact CB-CG2 3.53Å; N30-I261 WeakPolarHBondContact O-CD1 3.3Å |
| 31 | S | 93.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -111.1 | -39.4 | -175.3 | 59.4 | 0 | 0 | 0 | 0 | 114.6 | I27 Q28 F34 A35 A54 Y238 | I27-S31 VanDerWaalsContact O-CB 3.25Å; I27-S31 WeakPolarHBondContact O-CB 3.46Å; I27-S31 PolarHBondContact O-N 3.14Å; I27-S31 VanDerWaalsContact O-N 3.1Å; I27-S31 PolarHBondContact O-OG 2.89Å; Q28-S31 PolarHBondContact O-N 3.35Å; S31-F34 PolarHBondContact O-N 3.07Å; S31-A35 WeakPolarHBondContact O-CB 3.45Å; S31-A35 PolarHBondContact O-N 3.14Å; S31-A54 WeakPolarHBondContact OG-CB 3.42Å; S31-Y238 WeakPolarHBondContact CB-OH 3.39Å; S31-Y238 PolarHBondContact OG-OH 3.18Å |
| 32 | I | 95.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.5 | -46.1 | -172.9 | -68.8 | 175.1 | 0 | 0 | 0 | 111.9 | L6 L8 Q28 F34 A35 L36 L57 | L6-I32 HydrophobicContact CB-CB 4.47Å; L6-I32 HydrophobicContact CB-CG2 4.08Å; L6-I32 HydrophobicContact CD1-CB 4.29Å; L6-I32 HydrophobicContact CD1-CD1 3.9Å; L8-I32 HydrophobicContact CD1-CD1 4.48Å; L8-I32 HydrophobicContact CD2-CG2 3.95Å; L8-I32 HydrophobicContact CG-CG2 4.16Å; Q28-I32 HydrophobicContact CB-CD1 3.78Å; Q28-I32 HydrophobicContact CB-CG1 4.41Å; Q28-I32 HydrophobicContact CG-CD1 4.22Å; Q28-I32 WeakPolarHBondContact O-CB 3.33Å; Q28-I32 VanDerWaalsContact O-CG1 3.28Å; Q28-I32 WeakPolarHBondContact O-CG1 3.35Å; Q28-I32 PolarHBondContact O-N 2.9Å; I32-F34 PolarHBondContact O-N 3.14Å; I32-A35 WeakPolarHBondContact O-CB 3.49Å; I32-A35 PolarHBondContact O-N 3.29Å; I32-L36 HydrophobicContact CG2-CD1 3.92Å; I32-L36 HydrophobicContact CG2-CG 4.25Å; I32-L36 VanDerWaalsContact O-CG 3.3Å; I32-L36 WeakPolarHBondContact O-CG 3.44Å; I32-L36 PolarHBondContact O-N 2.92Å; I32-L57 HydrophobicContact CD1-CD1 4.02Å |
| 33 | P | 94.3 | Very high | 92.2 | Very high | 40 Ų | 40 | 33.6 Ų | 33.6 | 26% | 0.26 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -58.4 | -46.8 | 179.7 | -26.3 | 36.1 | 0 | 0 | 0 | 112.9 | L6 V29 L36 E37 | L6-P33 HydrophobicContact CD2-CG 4.49Å; V29-P33 VanDerWaalsContact O-CD 3.26Å; V29-P33 WeakPolarHBondContact O-CD 3.48Å; P33-L36 PolarHBondContact O-N 3.49Å; P33-E37 WeakPolarHBondContact O-CG 3.29Å; P33-E37 PolarHBondContact O-N 2.96Å |
| 34 | F | 93.5 | Very high | 92.2 | Very high | 38 Ų | 38 | 30.4 Ų | 30.4 | 17% | 0.167 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -71.3 | -32.3 | 179.2 | -57.4 | -69.1 | 0 | 0 | 0 | 112.9 | N30 S31 I32 L36 E37 G38 K39 I41 V259 I268 | N30-F34 WeakPolarHBondContact O-CD2 3.49Å; N30-F34 WeakPolarHBondContact O-CE2 3.3Å; S31-F34 PolarHBondContact O-N 3.07Å; I32-F34 PolarHBondContact O-N 3.14Å; F34-L36 VanDerWaalsContact C-N 3.33Å; F34-E37 WeakPolarHBondContact O-CB 3.35Å; F34-E37 PolarHBondContact O-N 2.94Å; F34-G38 PolarHBondContact O-N 3Å; F34-K39 HydrophobicContact CB-CD 4.33Å; F34-K39 HydrophobicContact CD1-CD 4.24Å; F34-K39 PolarHBondContact O-N 3.39Å; F34-I41 HydrophobicContact CB-CD1 3.83Å; F34-V259 HydrophobicContact CB-CB 4.47Å; F34-V259 HydrophobicContact CB-CG2 3.98Å; F34-V259 HydrophobicContact CD1-CG2 4.2Å; F34-V259 HydrophobicContact CD2-CG1 3.95Å; F34-V259 HydrophobicContact CE2-CG1 4.3Å; F34-V259 HydrophobicContact CG-CG1 4.16Å; F34-V259 HydrophobicContact CG-CG2 4.02Å; F34-I268 HydrophobicContact CE2-CD1 4.17Å; F34-I268 HydrophobicContact CE2-CG2 4.4Å; F34-I268 HydrophobicContact CZ-CD1 4.45Å; F34-I268 HydrophobicContact CZ-CG2 4.48Å |
| 35 | A | 94.1 | Very high | 92 | Very high | 3 Ų | 3 | 30 Ų | 30 | 3% | 0.025 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.9 | -40.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | S31 I32 E37 G38 I41 P58 Q234 Y236 | S31-A35 WeakPolarHBondContact O-CB 3.45Å; S31-A35 PolarHBondContact O-N 3.14Å; I32-A35 WeakPolarHBondContact O-CB 3.49Å; I32-A35 PolarHBondContact O-N 3.29Å; A35-E37 VanDerWaalsContact C-N 3.26Å; A35-E37 PolarHBondContact O-N 3.32Å; A35-G38 PolarHBondContact O-N 3Å; A35-I41 HydrophobicContact CB-CD1 4.43Å; A35-I41 HydrophobicContact CB-CG1 4.12Å; A35-P58 HydrophobicContact CB-CB 3.66Å; A35-P58 HydrophobicContact CB-CG 3.64Å; A35-Q234 PolarHBondContact O-NE2 3.36Å; A35-Y236 HydrophobicContact CB-CE1 3.76Å |
| 36 | L | 91.5 | Very high | 91.8 | Very high | 56 Ų | 56 | 34.5 Ų | 34.5 | 29% | 0.293 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -66.3 | -26.8 | 175.3 | -69.7 | 175 | 0 | 0 | 0 | 112.9 | L8 I32 P33 F34 G38 P58 Q61 | L8-L36 HydrophobicContact CD2-CD1 4.33Å; I32-L36 HydrophobicContact CG2-CD1 3.92Å; I32-L36 HydrophobicContact CG2-CG 4.25Å; I32-L36 VanDerWaalsContact O-CG 3.3Å; I32-L36 WeakPolarHBondContact O-CG 3.44Å; I32-L36 PolarHBondContact O-N 2.92Å; P33-L36 PolarHBondContact O-N 3.49Å; F34-L36 VanDerWaalsContact C-N 3.33Å; L36-G38 PolarHBondContact O-N 3.3Å; L36-P58 HydrophobicContact CD2-CB 3.78Å; L36-P58 HydrophobicContact CG-CB 4.11Å; L36-Q61 HydrophobicContact CD2-CB 3.94Å; L36-Q61 HydrophobicContact CD2-CG 3.91Å; L36-Q61 VanDerWaalsContact CD2-NE2 3.29Å |
| 37 | E | 88 | Confident | 91.4 | Very high | 122 Ų | 122 | 33.9 Ų | 33.9 | 57% | 0.57 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -6.5 | 170.6 | -68.3 | 175.1 | -178.3 | 0 | 0 | 113.5 | P33 F34 A35 K39 | P33-E37 WeakPolarHBondContact O-CG 3.29Å; P33-E37 PolarHBondContact O-N 2.96Å; F34-E37 WeakPolarHBondContact O-CB 3.35Å; F34-E37 PolarHBondContact O-N 2.94Å; A35-E37 VanDerWaalsContact C-N 3.26Å; A35-E37 PolarHBondContact O-N 3.32Å; E37-K39 HydrophobicContact CB-CG 4.47Å; E37-K39 WeakPolarHBondContact OE2-CE 3.45Å; E37-K39 IonicContact OE2-NZ 2.69Å; E37-K39 PolarHBondContact OE2-NZ 3.04Å |
| 38 | G | 84.8 | Confident | 91 | Very high | 44 Ų | 44 | 37.6 Ų | 37.6 | 45% | 0.454 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.1 | 16 | -179 | 0 | 0 | 0 | 0 | 0 | 114.3 | F34 A35 L36 Q234 | F34-G38 PolarHBondContact O-N 3Å; A35-G38 PolarHBondContact O-N 3Å; L36-G38 PolarHBondContact O-N 3.3Å; G38-Q234 VanDerWaalsContact C-NE2 3.33Å |
| 39 | K | 87.4 | Confident | 90.6 | Very high | 47 Ų | 47 | 37.8 Ų | 37.8 | 20% | 0.204 | 23% | 0.227 | C | C | . | . | trans | -79.5 | 147.8 | 176.2 | -66 | 174.5 | 177 | 158.5 | 0 | 111 | F34 E37 Q234 V259 | F34-K39 HydrophobicContact CB-CD 4.33Å; F34-K39 HydrophobicContact CD1-CD 4.24Å; F34-K39 PolarHBondContact O-N 3.39Å; E37-K39 HydrophobicContact CB-CG 4.47Å; E37-K39 WeakPolarHBondContact OE2-CE 3.45Å; E37-K39 IonicContact OE2-NZ 2.69Å; E37-K39 PolarHBondContact OE2-NZ 3.04Å; K39-Q234 PolarHBondContact O-NE2 3.03Å; K39-V259 HydrophobicContact CB-CG2 4.11Å; K39-V259 HydrophobicContact CD-CG2 3.68Å | ||
| 40 | D | 91.5 | Very high | 90.4 | Very high | 5 Ų | 5 | 37.3 Ų | 37.3 | 3% | 0.027 | 23% | 0.229 | C | C | . | . | trans | -65.2 | 141.2 | 167.9 | -76.6 | -4.2 | 0 | 0 | 0 | 110.1 | H232 I235 L254 S255 A258 V259 | D40-H232 IonicContact OD1-CE1 3.8Å; D40-H232 IonicContact OD2-CE1 2.7Å; D40-H232 PolarHBondContact OD2-CE1 3.11Å; D40-H232 VanDerWaalsContact OD2-CE1 3.23Å; D40-H232 IonicContact OD2-NE2 3.59Å; D40-I235 CarbonylContact C-O 3.59Å; D40-I235 VanDerWaalsContact CA-O 3.3Å; D40-I235 WeakPolarHBondContact CA-O 3.32Å; D40-I235 PolarHBondContact OD1-N 2.9Å; D40-L254 HydrophobicContact CB-CB 4.44Å; D40-L254 HydrophobicContact CB-CD2 4.23Å; D40-L254 WeakPolarHBondContact OD2-CA 3.36Å; D40-S255 WeakPolarHBondContact OD2-CB 3.36Å; D40-S255 PolarHBondContact OD2-N 3.15Å; D40-S255 PolarHBondContact OD2-OG 2.78Å; D40-A258 HydrophobicContact CB-CB 3.65Å; D40-A258 CarbonylContact O-C 3.55Å; D40-A258 VanDerWaalsContact O-CA 3.3Å; D40-A258 WeakPolarHBondContact O-CA 3.26Å; D40-V259 PolarHBondContact O-N 3.06Å | ||
| 41 | I | 93.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 134.8 | -174.7 | -56.3 | -59.8 | 0 | 0 | 0 | 110.6 | F34 A35 I235 Y236 L237 Y238 V259 I261 | F34-I41 HydrophobicContact CB-CD1 3.83Å; A35-I41 HydrophobicContact CB-CD1 4.43Å; A35-I41 HydrophobicContact CB-CG1 4.12Å; I41-I235 PolarHBondContact N-O 3.24Å; I41-Y236 HydrophobicContact CB-CD1 4.07Å; I41-Y236 HydrophobicContact CG1-CD1 4.06Å; I41-Y236 HydrophobicContact CG1-CE1 4.15Å; I41-L237 PolarHBondContact O-N 3.02Å; I41-Y238 HydrophobicContact CG2-CE2 4.43Å; I41-V259 HydrophobicContact CD1-CB 4.14Å; I41-I261 HydrophobicContact CG2-CD1 3.98Å |
| 42 | V | 92.4 | Very high | 90.4 | Very high | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.012 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 110.2 | 166.8 | -176.4 | 0 | 0 | 0 | 0 | 108.7 | L237 M242 R250 L254 V259 F260 I261 | V42-L237 CarbonylContact C-O 3.47Å; V42-L237 VanDerWaalsContact CA-O 3.3Å; V42-L237 WeakPolarHBondContact CA-O 2.94Å; V42-L237 HydrophobicContact CG1-CD2 4.3Å; V42-M242 HydrophobicContact CG1-CE 3.3Å; V42-R250 HydrophobicContact CG2-CG 4.01Å; V42-L254 HydrophobicContact CG2-CD1 3.09Å; V42-V259 PolarHBondContact N-O 3.44Å; V42-F260 HydrophobicContact CB-CD2 4.04Å; V42-F260 HydrophobicContact CG1-CD2 3.73Å; V42-F260 HydrophobicContact CG1-CE2 4.12Å; V42-I261 PolarHBondContact O-N 3.19Å |
| 43 | G | 91.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 126 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L237 Y238 S239 I261 | G43-L237 PolarHBondContact N-O 3.46Å; G43-Y238 WeakPolarHBondContact O-CA 3.4Å; G43-S239 PolarHBondContact O-N 2.83Å; G43-I261 CarbonylContact C-O 3.57Å; G43-I261 WeakPolarHBondContact CA-O 3.4Å |
| 44 | I | 91.2 | Very high | 90.4 | Very high | 16 Ų | 16 | 35.8 Ų | 35.8 | 8% | 0.082 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 115.7 | 169.3 | -52.6 | 163.2 | 0 | 0 | 0 | 108.1 | S239 A240 M242 F260 I261 N262 E263 | I44-S239 WeakPolarHBondContact CA-O 3.12Å; I44-A240 WeakPolarHBondContact CG2-O 3.37Å; I44-M242 HydrophobicContact CD1-CB 4.19Å; I44-M242 HydrophobicContact CD1-CE 3.8Å; I44-M242 HydrophobicContact CD1-CG 3.12Å; I44-M242 HydrophobicContact CD1-SD 4.28Å; I44-M242 HydrophobicContact CG1-CE 3.57Å; I44-M242 HydrophobicContact CG1-CG 3.76Å; I44-F260 HydrophobicContact CD1-CE1 4.26Å; I44-F260 HydrophobicContact CD1-CE2 3.55Å; I44-F260 HydrophobicContact CD1-CZ 3.25Å; I44-F260 HydrophobicContact CG1-CE2 4.29Å; I44-F260 HydrophobicContact CG1-CZ 4.33Å; I44-I261 PolarHBondContact N-O 2.54Å; I44-N262 HydrophobicContact CD1-CB 4.38Å; I44-E263 PolarHBondContact O-N 2.97Å |
| 45 | A | 90.5 | Very high | 90.5 | Very high | 5 Ų | 5 | 34 Ų | 34 | 4% | 0.041 | 21% | 0.211 | C | C | . | . | trans | -159.4 | 149.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | I27 S49 K51 S239 E263 | I27-A45 HydrophobicContact CB-CB 4.35Å; I27-A45 HydrophobicContact CD1-CB 4.28Å; I27-A45 HydrophobicContact CG1-CB 4.15Å; A45-S49 WeakPolarHBondContact CB-OG 3.37Å; A45-K51 HydrophobicContact CB-CD 4.03Å; A45-K51 HydrophobicContact CB-CG 4.04Å; A45-K51 WeakPolarHBondContact O-CE 3.39Å; A45-K51 PolarHBondContact O-NZ 3.45Å; A45-S239 PolarHBondContact N-O 3.19Å; A45-S239 VanDerWaalsContact N-O 3.17Å; A45-E263 HydrophobicContact CB-CB 4.21Å; A45-E263 VanDerWaalsContact CB-OE2 3.31Å; A45-E263 WeakPolarHBondContact CB-OE2 3.49Å | ||
| 46 | E | 88.8 | Confident | 90.5 | Very high | 142 Ų | 142 | 33.8 Ų | 33.8 | 66% | 0.664 | 21% | 0.21 | S | C | * | . | trans | -68.2 | 168 | 178.5 | 62.8 | -179.7 | -174.5 | 0 | 0 | 112.3 | G48 S49 K51 | E46-G48 PolarHBondContact O-N 3.49Å; E46-S49 WeakPolarHBondContact O-CB 3.46Å; E46-S49 PolarHBondContact O-N 3.16Å; E46-S49 PolarHBondContact O-OG 2.92Å; E46-K51 WeakPolarHBondContact O-CE 3.32Å | ||
| 47 | T | 84.3 | Confident | 90.7 | Very high | 114 Ų | 114 | 31.1 Ų | 31.1 | 70% | 0.699 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | 134 | 175.5 | -58 | 0 | 0 | 0 | 0 | 109.8 | ||
| 48 | G | 84 | Confident | 91 | Very high | 78 Ų | 78 | 25.5 Ų | 25.5 | 80% | 0.804 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 91.9 | -7.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | E46 G50 | E46-G48 PolarHBondContact O-N 3.49Å; G48-G50 PolarHBondContact O-N 3.27Å; G48-G50 VanDerWaalsContact O-N 3.08Å |
| 49 | S | 85.6 | Confident | 91.4 | Very high | 9 Ų | 9 | 23.4 Ų | 23.4 | 6% | 0.063 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -66.5 | -4 | 176.6 | 55.4 | 0 | 0 | 0 | 0 | 115.5 | T25 I27 A45 E46 E263 | T25-S49 WeakPolarHBondContact CB-O 3.42Å; T25-S49 WeakPolarHBondContact CG2-O 3.31Å; T25-S49 PolarHBondContact OG1-O 3.28Å; I27-S49 WeakPolarHBondContact CG2-O 3.46Å; A45-S49 WeakPolarHBondContact CB-OG 3.37Å; E46-S49 WeakPolarHBondContact O-CB 3.46Å; E46-S49 PolarHBondContact O-N 3.16Å; E46-S49 PolarHBondContact O-OG 2.92Å; S49-E263 VanDerWaalsContact CB-OE2 3.25Å; S49-E263 WeakPolarHBondContact CB-OE2 3.05Å |
| 50 | G | 89.7 | Confident | 91.5 | Very high | 21 Ų | 21 | 21.1 Ų | 21.1 | 22% | 0.216 | 14% | 0.139 | C | C | . | . | S | Bend | trans | 88.2 | 18.7 | -180 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q28 G48 T52 G53 A54 | Q28-G50 PolarHBondContact NE2-O 2.99Å; G48-G50 PolarHBondContact O-N 3.27Å; G48-G50 VanDerWaalsContact O-N 3.08Å; G50-T52 PolarHBondContact O-N 3.3Å; G50-G53 PolarHBondContact O-N 3.38Å; G50-A54 PolarHBondContact O-N 3.25Å |
| 51 | K | 91.7 | Very high | 91.3 | Very high | 12 Ų | 12 | 21.8 Ų | 21.8 | 5% | 0.052 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -49.6 | -40.9 | 174.7 | -70.2 | 179.6 | -71.5 | -172 | 0 | 113.6 | I27 A45 E46 G53 A54 F55 Y238 | I27-K51 HydrophobicContact CG1-CG 4.44Å; A45-K51 HydrophobicContact CB-CD 4.03Å; A45-K51 HydrophobicContact CB-CG 4.04Å; A45-K51 WeakPolarHBondContact O-CE 3.39Å; A45-K51 PolarHBondContact O-NZ 3.45Å; E46-K51 WeakPolarHBondContact O-CE 3.32Å; K51-G53 PolarHBondContact O-N 3.48Å; K51-A54 WeakPolarHBondContact O-CA 3.37Å; K51-A54 WeakPolarHBondContact O-CB 3.47Å; K51-A54 PolarHBondContact O-N 3.42Å; K51-F55 WeakPolarHBondContact O-CD1 3.42Å; K51-F55 WeakPolarHBondContact O-CE1 3.23Å; K51-F55 PolarHBondContact O-N 3.41Å; K51-Y238 HydrophobicContact CB-CD1 4.08Å; K51-Y238 HydrophobicContact CB-CE1 4.43Å; K51-Y238 HydrophobicContact CB-CG 4.47Å; K51-Y238 HydrophobicContact CD-CD1 3.79Å; K51-Y238 HydrophobicContact CD-CG 4.29Å; K51-Y238 HydrophobicContact CG-CD1 3.69Å; K51-Y238 HydrophobicContact CG-CE1 4.16Å; K51-Y238 HydrophobicContact CG-CG 4.43Å |
| 52 | T | 94.3 | Very high | 90.8 | Very high | 36 Ų | 36 | 24 Ų | 24 | 22% | 0.221 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -58.3 | -48 | -178.9 | -50.7 | 0 | 0 | 0 | 0 | 112.1 | G50 A54 F55 L56 L86 E89 | G50-T52 PolarHBondContact O-N 3.3Å; T52-A54 VanDerWaalsContact C-N 3.27Å; T52-A54 PolarHBondContact O-N 2.96Å; T52-F55 HydrophobicContact CG2-CZ 4.31Å; T52-L56 HydrophobicContact CG2-CD1 3.53Å; T52-L56 HydrophobicContact CG2-CG 4.28Å; T52-L56 VanDerWaalsContact O-CB 3.28Å; T52-L56 WeakPolarHBondContact O-CB 3.5Å; T52-L56 VanDerWaalsContact O-CG 3.27Å; T52-L56 WeakPolarHBondContact O-CG 3.36Å; T52-L56 PolarHBondContact O-N 3.36Å; T52-L86 HydrophobicContact CG2-CD2 3.66Å; T52-E89 HydrophobicContact CG2-CB 4.11Å; T52-E89 HydrophobicContact CG2-CG 3.7Å |
| 53 | G | 94.1 | Very high | 89.9 | Confident | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.01 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.8 | -31.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | G50 K51 F55 L57 | G50-G53 PolarHBondContact O-N 3.38Å; K51-G53 PolarHBondContact O-N 3.48Å; G53-F55 VanDerWaalsContact C-N 3.35Å; G53-F55 PolarHBondContact O-N 3.16Å; G53-L57 VanDerWaalsContact O-CB 3.28Å; G53-L57 WeakPolarHBondContact O-CB 3.28Å; G53-L57 WeakPolarHBondContact O-CD1 3.37Å; G53-L57 VanDerWaalsContact O-CG 3.26Å; G53-L57 WeakPolarHBondContact O-CG 3.45Å; G53-L57 PolarHBondContact O-N 3.03Å; G53-L57 VanDerWaalsContact O-N 3.1Å |
| 54 | A | 95.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.1 | -35 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q28 S31 G50 K51 T52 P58 Y238 | Q28-A54 HydrophobicContact CG-CB 3.94Å; S31-A54 WeakPolarHBondContact OG-CB 3.42Å; G50-A54 PolarHBondContact O-N 3.25Å; K51-A54 WeakPolarHBondContact O-CA 3.37Å; K51-A54 WeakPolarHBondContact O-CB 3.47Å; K51-A54 PolarHBondContact O-N 3.42Å; T52-A54 VanDerWaalsContact C-N 3.27Å; T52-A54 PolarHBondContact O-N 2.96Å; A54-P58 VanDerWaalsContact O-CD 3.23Å; A54-P58 WeakPolarHBondContact O-CD 3.35Å; A54-P58 WeakPolarHBondContact O-CG 3.47Å; A54-Y238 HydrophobicContact CB-CE1 4.47Å; A54-Y238 WeakPolarHBondContact CB-OH 3.38Å |
| 55 | F | 95.9 | Very high | 88 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -99.7 | -32.3 | 173.4 | 62.1 | -102.1 | 0 | 0 | 0 | 113.8 | K51 T52 G53 P58 I59 I75 L86 V160 Y236 Y238 | K51-F55 WeakPolarHBondContact O-CD1 3.42Å; K51-F55 WeakPolarHBondContact O-CE1 3.23Å; K51-F55 PolarHBondContact O-N 3.41Å; T52-F55 HydrophobicContact CG2-CZ 4.31Å; G53-F55 VanDerWaalsContact C-N 3.35Å; G53-F55 PolarHBondContact O-N 3.16Å; F55-P58 WeakPolarHBondContact O-CD 3.49Å; F55-P58 WeakPolarHBondContact O-CG 3.45Å; F55-I59 WeakPolarHBondContact O-CB 3.37Å; F55-I59 VanDerWaalsContact O-CD1 3.27Å; F55-I59 WeakPolarHBondContact O-CD1 3.33Å; F55-I59 WeakPolarHBondContact O-CG1 3.46Å; F55-I59 PolarHBondContact O-N 2.84Å; F55-I75 HydrophobicContact CE2-CD1 4.06Å; F55-L86 HydrophobicContact CZ-CD2 3.84Å; F55-V160 HydrophobicContact CB-CG2 4.48Å; F55-V160 HydrophobicContact CD1-CG1 3.99Å; F55-V160 HydrophobicContact CD2-CB 4.49Å; F55-V160 HydrophobicContact CD2-CG1 3.87Å; F55-V160 HydrophobicContact CD2-CG2 3.94Å; F55-V160 HydrophobicContact CE1-CG1 4.06Å; F55-V160 HydrophobicContact CE2-CG1 3.96Å; F55-V160 HydrophobicContact CE2-CG2 4.49Å; F55-V160 HydrophobicContact CG-CG1 3.9Å; F55-V160 HydrophobicContact CG-CG2 4.32Å; F55-V160 HydrophobicContact CZ-CG1 4.04Å; F55-Y236 HydrophobicContact CB-CD1 3.72Å; F55-Y236 HydrophobicContact CB-CE1 4.22Å; F55-Y236 HydrophobicContact CB-CG 4.03Å; F55-Y238 HydrophobicContact CB-CE2 4Å; F55-Y238 AromaticContact CD1-CD2 3.82Å; F55-Y238 HydrophobicContact CD1-CD2 3.82Å; F55-Y238 AromaticContact CD1-CE2 3.81Å; F55-Y238 HydrophobicContact CD1-CE2 3.81Å; F55-Y238 HydrophobicContact CG-CE2 4.38Å |
| 56 | L | 95.5 | Very high | 86.6 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -68.6 | -44.7 | -178.7 | -71.9 | 179.8 | 0 | 0 | 0 | 112.3 | T52 I59 I60 I75 E89 A90 L93 F130 | T52-L56 HydrophobicContact CG2-CD1 3.53Å; T52-L56 HydrophobicContact CG2-CG 4.28Å; T52-L56 VanDerWaalsContact O-CB 3.28Å; T52-L56 WeakPolarHBondContact O-CB 3.5Å; T52-L56 VanDerWaalsContact O-CG 3.27Å; T52-L56 WeakPolarHBondContact O-CG 3.36Å; T52-L56 PolarHBondContact O-N 3.36Å; L56-I59 PolarHBondContact O-N 3.46Å; L56-I60 HydrophobicContact CB-CD1 4.37Å; L56-I60 WeakPolarHBondContact O-CB 3.38Å; L56-I60 WeakPolarHBondContact O-CG1 3.45Å; L56-I60 PolarHBondContact O-N 2.9Å; L56-I75 HydrophobicContact CD2-CD1 3.73Å; L56-E89 HydrophobicContact CD1-CB 4.37Å; L56-E89 HydrophobicContact CD1-CG 4.21Å; L56-A90 HydrophobicContact CD1-CB 4.21Å; L56-A90 HydrophobicContact CD2-CB 4.05Å; L56-L93 HydrophobicContact CB-CD1 3.79Å; L56-L93 HydrophobicContact CD1-CD1 3.76Å; L56-L93 HydrophobicContact CG-CD1 4.44Å; L56-F130 HydrophobicContact CD2-CD1 4.49Å; L56-F130 HydrophobicContact CD2-CE1 3.82Å; L56-F130 HydrophobicContact CD2-CZ 4.2Å |
| 57 | L | 95 | Very high | 84.8 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.7 | -50.5 | -178.8 | -67.8 | 171.7 | 0 | 0 | 0 | 113.3 | F3 L8 L12 W21 I32 G53 I59 I60 Q61 | F3-L57 HydrophobicContact CD1-CD1 4.21Å; F3-L57 HydrophobicContact CE1-CD1 3.89Å; L8-L57 HydrophobicContact CD1-CB 4.3Å; L8-L57 HydrophobicContact CD1-CD1 3.83Å; L8-L57 HydrophobicContact CD2-CB 4.14Å; L12-L57 HydrophobicContact CD2-CD2 4.35Å; W21-L57 HydrophobicContact CE3-CD1 4.42Å; W21-L57 HydrophobicContact CZ3-CD1 3.93Å; W21-L57 HydrophobicContact CZ3-CG 4.34Å; I32-L57 HydrophobicContact CD1-CD1 4.02Å; G53-L57 VanDerWaalsContact O-CB 3.28Å; G53-L57 WeakPolarHBondContact O-CB 3.28Å; G53-L57 WeakPolarHBondContact O-CD1 3.37Å; G53-L57 VanDerWaalsContact O-CG 3.26Å; G53-L57 WeakPolarHBondContact O-CG 3.45Å; G53-L57 PolarHBondContact O-N 3.03Å; G53-L57 VanDerWaalsContact O-N 3.1Å; L57-I59 VanDerWaalsContact C-N 3.34Å; L57-I59 PolarHBondContact O-N 2.78Å; L57-I60 PolarHBondContact O-N 3.36Å; L57-Q61 WeakPolarHBondContact O-CB 3.42Å; L57-Q61 PolarHBondContact O-N 3.45Å |
| 58 | P | 93.9 | Very high | 83.1 | Confident | 3 Ų | 3 | 27.2 Ų | 27.2 | 2% | 0.019 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66.4 | -34.6 | 178.3 | 24.7 | -33.9 | 0 | 0 | 0 | 112.8 | A35 L36 A54 F55 Q61 H62 Y236 | A35-P58 HydrophobicContact CB-CB 3.66Å; A35-P58 HydrophobicContact CB-CG 3.64Å; L36-P58 HydrophobicContact CD2-CB 3.78Å; L36-P58 HydrophobicContact CG-CB 4.11Å; A54-P58 VanDerWaalsContact O-CD 3.23Å; A54-P58 WeakPolarHBondContact O-CD 3.35Å; A54-P58 WeakPolarHBondContact O-CG 3.47Å; F55-P58 WeakPolarHBondContact O-CD 3.49Å; F55-P58 WeakPolarHBondContact O-CG 3.45Å; P58-Q61 PolarHBondContact O-N 3.12Å; P58-H62 WeakPolarHBondContact O-CB 3.44Å; P58-H62 PolarHBondContact O-N 3.44Å; P58-Y236 HydrophobicContact CG-CE1 4.38Å |
| 59 | I | 92.4 | Very high | 81.4 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65.7 | -45.8 | 175.2 | -68.1 | 170.5 | 0 | 0 | 0 | 110.5 | F55 L56 L57 Q61 H62 W63 A73 F130 H158 V160 Y236 | F55-I59 WeakPolarHBondContact O-CB 3.37Å; F55-I59 VanDerWaalsContact O-CD1 3.27Å; F55-I59 WeakPolarHBondContact O-CD1 3.33Å; F55-I59 WeakPolarHBondContact O-CG1 3.46Å; F55-I59 PolarHBondContact O-N 2.84Å; L56-I59 PolarHBondContact O-N 3.46Å; L57-I59 VanDerWaalsContact C-N 3.34Å; L57-I59 PolarHBondContact O-N 2.78Å; I59-Q61 VanDerWaalsContact C-N 3.33Å; I59-Q61 PolarHBondContact O-N 3.18Å; I59-H62 VanDerWaalsContact O-CB 3.3Å; I59-H62 WeakPolarHBondContact O-CB 3.31Å; I59-H62 PolarHBondContact O-N 3.3Å; I59-W63 PolarHBondContact O-N 2.78Å; I59-A73 HydrophobicContact CD1-CB 4.39Å; I59-A73 HydrophobicContact CG2-CB 3.78Å; I59-F130 HydrophobicContact CB-CE1 4.45Å; I59-F130 HydrophobicContact CB-CZ 4.45Å; I59-F130 HydrophobicContact CG2-CE1 3.6Å; I59-F130 HydrophobicContact CG2-CZ 3.62Å; I59-H158 HydrophobicContact CD1-CB 3.95Å; I59-H158 HydrophobicContact CG1-CB 4.1Å; I59-V160 HydrophobicContact CD1-CG2 3.74Å; I59-Y236 HydrophobicContact CD1-CD2 4.2Å; I59-Y236 HydrophobicContact CD1-CE2 3.84Å; I59-Y236 HydrophobicContact CG1-CE2 3.88Å |
| 60 | I | 89.7 | Confident | 79.9 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.4 | -42.8 | 177.2 | -66 | 166.9 | 0 | 0 | 0 | 110.3 | L12 L56 L57 H62 W63 I64 L93 L105 F130 | L12-I60 HydrophobicContact CD1-CG2 4.42Å; L12-I60 HydrophobicContact CD2-CB 4.41Å; L12-I60 HydrophobicContact CD2-CG2 3.73Å; L56-I60 HydrophobicContact CB-CD1 4.37Å; L56-I60 WeakPolarHBondContact O-CB 3.38Å; L56-I60 WeakPolarHBondContact O-CG1 3.45Å; L56-I60 PolarHBondContact O-N 2.9Å; L57-I60 PolarHBondContact O-N 3.36Å; I60-H62 VanDerWaalsContact C-N 3.29Å; I60-H62 PolarHBondContact O-N 3.02Å; I60-W63 PolarHBondContact O-N 2.98Å; I60-W63 VanDerWaalsContact O-N 3.15Å; I60-I64 HydrophobicContact CG2-CD1 3.69Å; I60-I64 HydrophobicContact CG2-CG1 4.24Å; I60-I64 VanDerWaalsContact O-CG1 3.32Å; I60-I64 WeakPolarHBondContact O-CG1 3.33Å; I60-I64 PolarHBondContact O-N 2.99Å; I60-L93 HydrophobicContact CD1-CB 3.53Å; I60-L105 HydrophobicContact CB-CD1 4.34Å; I60-L105 HydrophobicContact CD1-CD1 4.43Å; I60-L105 HydrophobicContact CG1-CD1 3.79Å; I60-L105 HydrophobicContact CG2-CD1 3.89Å; I60-F130 HydrophobicContact CG1-CE2 4.22Å; I60-F130 HydrophobicContact CG1-CZ 3.94Å |
| 61 | Q | 88.7 | Confident | 78.9 | Confident | 19 Ų | 19 | 28 Ų | 28 | 9% | 0.089 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60.8 | -40.4 | 175.3 | -177.5 | 152.1 | -60.3 | 0 | 0 | 111.9 | G7 I9 L12 L36 L57 P58 I59 W63 I64 K65 | G7-Q61 PolarHBondContact O-NE2 3Å; I9-Q61 HydrophobicContact CG2-CG 4.38Å; L12-Q61 HydrophobicContact CD1-CB 3.61Å; L12-Q61 HydrophobicContact CD1-CG 4.41Å; L36-Q61 HydrophobicContact CD2-CB 3.94Å; L36-Q61 HydrophobicContact CD2-CG 3.91Å; L36-Q61 VanDerWaalsContact CD2-NE2 3.29Å; L57-Q61 WeakPolarHBondContact O-CB 3.42Å; L57-Q61 PolarHBondContact O-N 3.45Å; P58-Q61 PolarHBondContact O-N 3.12Å; I59-Q61 VanDerWaalsContact C-N 3.33Å; I59-Q61 PolarHBondContact O-N 3.18Å; Q61-W63 VanDerWaalsContact C-N 3.35Å; Q61-I64 PolarHBondContact O-N 3.43Å; Q61-K65 VanDerWaalsContact O-CB 3.25Å; Q61-K65 WeakPolarHBondContact O-CB 3.38Å; Q61-K65 PolarHBondContact O-N 3.47Å |
| 62 | H | 82 | Confident | 78.3 | Confident | 46 Ų | 46 | 27.7 Ų | 27.7 | 21% | 0.213 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -55.7 | -52.8 | 172.7 | -176.4 | 101 | 0 | 0 | 0 | 109.5 | P58 I59 I60 I64 K65 F66 H158 | P58-H62 WeakPolarHBondContact O-CB 3.44Å; P58-H62 PolarHBondContact O-N 3.44Å; I59-H62 VanDerWaalsContact O-CB 3.3Å; I59-H62 WeakPolarHBondContact O-CB 3.31Å; I59-H62 PolarHBondContact O-N 3.3Å; I60-H62 VanDerWaalsContact C-N 3.29Å; I60-H62 PolarHBondContact O-N 3.02Å; H62-I64 PolarHBondContact O-N 3.5Å; H62-K65 PolarHBondContact O-N 2.93Å; H62-F66 AromaticContact CD2-CD2 3.53Å; H62-F66 AromaticContact CD2-CE2 3.97Å; H62-F66 AromaticContact CE1-CD2 3.44Å; H62-F66 VanDerWaalsContact CE1-CD2 3.44Å; H62-F66 WeakPolarHBondContact CE1-CD2 3.36Å; H62-F66 AromaticContact CE1-CE2 3.03Å; H62-F66 WeakPolarHBondContact CE1-CE2 3.5Å; H62-F66 AromaticContact CE1-CZ 3.77Å; H62-F66 AromaticContact CG-CD2 3.7Å; H62-F66 AromaticContact CG-CE2 3.89Å; H62-F66 AromaticContact ND1-CD2 3.64Å; H62-F66 AromaticContact ND1-CE2 3.32Å; H62-F66 VanDerWaalsContact ND1-CE2 3.32Å; H62-F66 WeakPolarHBondContact ND1-CE2 3.17Å; H62-F66 AromaticContact NE2-CD2 3.34Å; H62-F66 VanDerWaalsContact NE2-CD2 3.34Å; H62-F66 WeakPolarHBondContact NE2-CD2 3.39Å; H62-F66 AromaticContact NE2-CE2 3.44Å; H62-F66 WeakPolarHBondContact NE2-CE2 3.42Å; H62-F66 WeakPolarHBondContact O-CB 3.39Å; H62-F66 VanDerWaalsContact O-CD2 3.26Å; H62-F66 WeakPolarHBondContact O-CD2 3.42Å; H62-F66 PolarHBondContact O-N 3.04Å; H62-H158 AromaticContact CD2-CE1 4Å; H62-H158 AromaticContact CD2-NE2 3.25Å; H62-H158 PolarHBondContact CD2-NE2 3.05Å; H62-H158 AromaticContact CE1-NE2 3.95Å; H62-H158 AromaticContact CG-CE1 3.82Å; H62-H158 AromaticContact CG-NE2 3.44Å; H62-H158 AromaticContact ND1-CE1 3.88Å; H62-H158 AromaticContact ND1-NE2 3.88Å; H62-H158 AromaticContact NE2-NE2 3.64Å |
| 63 | W | 74.6 | Confident | 78.1 | Confident | 7 Ų | 7 | 26 Ų | 26 | 3% | 0.027 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.1 | -43.1 | 178.1 | -62 | 129.2 | 0 | 0 | 0 | 113.8 | I59 I60 Q61 K65 G67 V70 H157 H158 | I59-W63 PolarHBondContact O-N 2.78Å; I60-W63 PolarHBondContact O-N 2.98Å; I60-W63 VanDerWaalsContact O-N 3.15Å; Q61-W63 VanDerWaalsContact C-N 3.35Å; W63-K65 PolarHBondContact O-N 3.32Å; W63-G67 PolarHBondContact O-N 3.27Å; W63-V70 WeakPolarHBondContact CZ3-O 3.28Å; W63-H157 HydrophobicContact CH2-CB 3.85Å; W63-H157 HydrophobicContact CZ2-CB 4.39Å; W63-H158 AromaticContact CZ2-CD2 3.69Å |
| 64 | I | 73.5 | Confident | 78.1 | Confident | 16 Ų | 16 | 26 Ų | 26 | 8% | 0.082 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.7 | -42.3 | 177.8 | -65.1 | 166.5 | 0 | 0 | 0 | 111 | I9 L12 I60 Q61 H62 F103 L476 | I9-I64 HydrophobicContact CD1-CB 4.08Å; I9-I64 HydrophobicContact CD1-CD1 3.83Å; I9-I64 HydrophobicContact CD1-CG2 3.57Å; L12-I64 HydrophobicContact CD1-CD1 4.42Å; L12-I64 HydrophobicContact CD2-CD1 4.19Å; L12-I64 HydrophobicContact CG-CD1 4.13Å; I60-I64 HydrophobicContact CG2-CD1 3.69Å; I60-I64 HydrophobicContact CG2-CG1 4.24Å; I60-I64 VanDerWaalsContact O-CG1 3.32Å; I60-I64 WeakPolarHBondContact O-CG1 3.33Å; I60-I64 PolarHBondContact O-N 2.99Å; Q61-I64 PolarHBondContact O-N 3.43Å; H62-I64 PolarHBondContact O-N 3.5Å; I64-F103 HydrophobicContact CD1-CE1 3.9Å; I64-F103 HydrophobicContact CD1-CE2 4.16Å; I64-F103 HydrophobicContact CD1-CZ 3.53Å; I64-F103 HydrophobicContact CG1-CE1 4.45Å; I64-F103 HydrophobicContact CG1-CZ 4.27Å; I64-L476 HydrophobicContact CG1-CD1 4.34Å |
| 65 | K | 69.7 | Low | 78.1 | Confident | 153 Ų | 153 | 26 Ų | 26 | 67% | 0.665 | 13% | 0.13 | S | C | * | . | H | α-helix | trans | -69.8 | -40.9 | -179.4 | -175.3 | 179.2 | 178.3 | -179.3 | 0 | 112.2 | Q61 H62 W63 | Q61-K65 VanDerWaalsContact O-CB 3.25Å; Q61-K65 WeakPolarHBondContact O-CB 3.38Å; Q61-K65 PolarHBondContact O-N 3.47Å; H62-K65 PolarHBondContact O-N 2.93Å; W63-K65 PolarHBondContact O-N 3.32Å |
| 66 | F | 60.7 | Low | 78.1 | Confident | 114 Ų | 114 | 26 Ų | 26 | 50% | 0.5 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -76.5 | -29.1 | 179.4 | -82.8 | -85.5 | 0 | 0 | 0 | 112.3 | H62 Q68 | H62-F66 AromaticContact CD2-CD2 3.53Å; H62-F66 AromaticContact CD2-CE2 3.97Å; H62-F66 AromaticContact CE1-CD2 3.44Å; H62-F66 VanDerWaalsContact CE1-CD2 3.44Å; H62-F66 WeakPolarHBondContact CE1-CD2 3.36Å; H62-F66 AromaticContact CE1-CE2 3.03Å; H62-F66 WeakPolarHBondContact CE1-CE2 3.5Å; H62-F66 AromaticContact CE1-CZ 3.77Å; H62-F66 AromaticContact CG-CD2 3.7Å; H62-F66 AromaticContact CG-CE2 3.89Å; H62-F66 AromaticContact ND1-CD2 3.64Å; H62-F66 AromaticContact ND1-CE2 3.32Å; H62-F66 VanDerWaalsContact ND1-CE2 3.32Å; H62-F66 WeakPolarHBondContact ND1-CE2 3.17Å; H62-F66 AromaticContact NE2-CD2 3.34Å; H62-F66 VanDerWaalsContact NE2-CD2 3.34Å; H62-F66 WeakPolarHBondContact NE2-CD2 3.39Å; H62-F66 AromaticContact NE2-CE2 3.44Å; H62-F66 WeakPolarHBondContact NE2-CE2 3.42Å; H62-F66 WeakPolarHBondContact O-CB 3.39Å; H62-F66 VanDerWaalsContact O-CD2 3.26Å; H62-F66 WeakPolarHBondContact O-CD2 3.42Å; H62-F66 PolarHBondContact O-N 3.04Å; F66-Q68 PolarHBondContact O-N 3.47Å |
| 67 | G | 50.3 | Low | 78.1 | Confident | 2 Ų | 2 | 26 Ų | 26 | 2% | 0.021 | 13% | 0.131 | C | C | . | . | trans | 67.9 | 1.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | W63 Y475 | W63-G67 PolarHBondContact O-N 3.27Å; G67-Y475 CarbonylContact C-O 3.52Å; G67-Y475 VanDerWaalsContact CA-CE1 3.41Å; G67-Y475 VanDerWaalsContact CA-CG 3.44Å; G67-Y475 VanDerWaalsContact CA-O 3.28Å; G67-Y475 WeakPolarHBondContact CA-O 3.34Å; G67-Y475 CarbonylContact O-C 3.59Å; G67-Y475 WeakPolarHBondContact O-CA 3.26Å | ||
| 68 | Q | 48.5 | Very low | 78 | Confident | 54 Ų | 54 | 26.2 Ų | 26.2 | 25% | 0.252 | 13% | 0.132 | S | C | . | . | S | Bend | trans | -133 | 127.3 | 179.8 | -70.1 | -178.3 | 6.5 | 0 | 0 | 104.9 | F66 V70 A470 | F66-Q68 PolarHBondContact O-N 3.47Å; Q68-V70 HydrophobicContact CB-CG2 3.49Å; Q68-V70 VanDerWaalsContact CB-CG2 3.49Å; Q68-V70 PolarHBondContact O-N 3.41Å; Q68-A470 HydrophobicContact CB-CB 4.21Å; Q68-A470 HydrophobicContact CG-CB 4.24Å; Q68-A470 WeakPolarHBondContact CG-O 3.27Å; Q68-A470 PolarHBondContact NE2-O 3.46Å |
| 69 | P | 49.3 | Very low | 78 | Confident | 53 Ų | 53 | 27.2 Ų | 27.2 | 34% | 0.344 | 14% | 0.138 | S | C | . | . | trans | -72.1 | 65.2 | 166.7 | 31.7 | -33 | 0 | 0 | 0 | 107.8 | G71 | P69-G71 VanDerWaalsContact C-N 3.28Å; P69-G71 PolarHBondContact O-N 3.23Å; P69-G71 VanDerWaalsContact O-N 3.08Å | ||
| 70 | V | 52.7 | Low | 78 | Confident | 59 Ų | 59 | 32.6 Ų | 32.6 | 36% | 0.358 | 16% | 0.158 | S | C | . | . | trans | -77 | 95.9 | 166.4 | -153 | 0 | 0 | 0 | 0 | 104.3 | W63 Q68 H157 | W63-V70 WeakPolarHBondContact CZ3-O 3.28Å; Q68-V70 HydrophobicContact CB-CG2 3.49Å; Q68-V70 VanDerWaalsContact CB-CG2 3.49Å; Q68-V70 PolarHBondContact O-N 3.41Å; V70-H157 PolarHBondContact O-CE1 3.47Å; V70-H157 PolarHBondContact O-ND1 3.36Å; V70-H157 PolarHBondContact O-NE2 2.89Å | ||
| 71 | G | 68.5 | Low | 78.2 | Confident | 13 Ų | 13 | 38.8 Ų | 38.8 | 13% | 0.134 | 19% | 0.187 | C | C | . | . | S | Bend | trans | 81.9 | -168.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | P69 N155 | P69-G71 VanDerWaalsContact C-N 3.28Å; P69-G71 PolarHBondContact O-N 3.23Å; P69-G71 VanDerWaalsContact O-N 3.08Å; G71-N155 CarbonylContact C-O 3.54Å; G71-N155 WeakPolarHBondContact CA-O 3.36Å |
| 72 | F | 79.8 | Confident | 78.5 | Confident | 6 Ų | 6 | 38.9 Ų | 38.9 | 3% | 0.026 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 167.1 | -173.8 | 66.5 | -89.5 | 0 | 0 | 0 | 111.4 | L74 H128 H129 I131 Q152 N155 I156 H157 | F72-L74 HydrophobicContact CE2-CB 4.1Å; F72-H128 AromaticContact CD1-NE2 3.78Å; F72-H128 AromaticContact CE1-NE2 3.99Å; F72-H128 AromaticContact CG-CD2 3.89Å; F72-H128 AromaticContact CG-NE2 4Å; F72-H129 WeakPolarHBondContact CA-O 3.45Å; F72-H129 WeakPolarHBondContact CB-O 3.4Å; F72-I131 HydrophobicContact CD2-CB 4.15Å; F72-I131 HydrophobicContact CD2-CD1 3.98Å; F72-I131 HydrophobicContact CD2-CG1 3.74Å; F72-I131 HydrophobicContact CE1-CD1 4.35Å; F72-I131 HydrophobicContact CE2-CB 3.97Å; F72-I131 HydrophobicContact CE2-CD1 3.38Å; F72-I131 HydrophobicContact CE2-CG1 3.62Å; F72-I131 HydrophobicContact CZ-CD1 3.6Å; F72-I131 HydrophobicContact CZ-CG1 4.3Å; F72-Q152 HydrophobicContact CE1-CB 4.31Å; F72-Q152 WeakPolarHBondContact CE1-O 3.49Å; F72-Q152 HydrophobicContact CZ-CB 4.38Å; F72-N155 HydrophobicContact CE1-CB 4.47Å; F72-N155 PolarHBondContact N-O 3.05Å; F72-N155 VanDerWaalsContact N-O 3.09Å; F72-I156 HydrophobicContact CD2-CG1 4.24Å; F72-I156 HydrophobicContact CE1-CG1 3.98Å; F72-I156 HydrophobicContact CE2-CD1 3.93Å; F72-I156 HydrophobicContact CE2-CG1 3.49Å; F72-I156 VanDerWaalsContact CE2-CG1 3.49Å; F72-I156 HydrophobicContact CZ-CD1 3.84Å; F72-I156 HydrophobicContact CZ-CG1 3.34Å; F72-H157 PolarHBondContact O-N 3.33Å |
| 73 | A | 90.1 | Very high | 79.2 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 125 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | I59 H129 F130 I131 H158 | I59-A73 HydrophobicContact CD1-CB 4.39Å; I59-A73 HydrophobicContact CG2-CB 3.78Å; A73-H129 PolarHBondContact N-O 3.46Å; A73-F130 HydrophobicContact CB-CD1 3.58Å; A73-F130 HydrophobicContact CB-CE1 3.65Å; A73-F130 HydrophobicContact CB-CG 4.48Å; A73-F130 CarbonylContact O-C 3.11Å; A73-F130 WeakPolarHBondContact O-CA 3.31Å; A73-I131 PolarHBondContact O-N 2.91Å; A73-H158 CarbonylContact C-O 3.53Å; A73-H158 VanDerWaalsContact CA-O 3.3Å; A73-H158 WeakPolarHBondContact CA-O 3.49Å; A73-H158 HydrophobicContact CB-CB 3.85Å |
| 74 | L | 93.5 | Very high | 80.2 | Confident | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 122.2 | 171.7 | 176.5 | 60.9 | 0 | 0 | 0 | 109.3 | F72 L76 I131 A133 L138 I156 H158 L159 V160 | F72-L74 HydrophobicContact CE2-CB 4.1Å; L74-L76 HydrophobicContact CD1-CD2 3.95Å; L74-L76 HydrophobicContact CD2-CD2 4.17Å; L74-L76 HydrophobicContact CD2-CG 4.42Å; L74-L76 HydrophobicContact CG-CD2 4.05Å; L74-L76 HydrophobicContact CG-CG 4.27Å; L74-I131 CarbonylContact C-O 3.54Å; L74-I131 WeakPolarHBondContact CA-O 3.38Å; L74-I131 HydrophobicContact CD1-CB 3.95Å; L74-I131 HydrophobicContact CD1-CG2 3.78Å; L74-A133 HydrophobicContact CD1-CB 4.33Å; L74-L138 HydrophobicContact CD1-CD2 4.07Å; L74-L138 HydrophobicContact CD2-CD2 3.6Å; L74-L138 HydrophobicContact CG-CD2 4.46Å; L74-I156 HydrophobicContact CB-CD1 3.72Å; L74-I156 HydrophobicContact CB-CG1 4.2Å; L74-I156 HydrophobicContact CB-CG2 4.29Å; L74-I156 HydrophobicContact CD2-CD1 3.55Å; L74-I156 HydrophobicContact CG-CD1 4.24Å; L74-H158 PolarHBondContact N-O 3.48Å; L74-L159 HydrophobicContact CB-CD1 4.05Å; L74-L159 HydrophobicContact CD2-CD1 3.82Å; L74-L159 HydrophobicContact CG-CD1 3.93Å; L74-L159 CarbonylContact O-C 3.55Å; L74-L159 WeakPolarHBondContact O-CA 3.39Å; L74-V160 PolarHBondContact O-N 3.5Å |
| 75 | I | 96.7 | Very high | 81.2 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 119.3 | 176.1 | -55 | 174.5 | 0 | 0 | 0 | 108.6 | F55 L56 L86 F130 I131 V132 A133 V160 | F55-I75 HydrophobicContact CE2-CD1 4.06Å; L56-I75 HydrophobicContact CD2-CD1 3.73Å; I75-L86 HydrophobicContact CG2-CD1 3.83Å; I75-F130 HydrophobicContact CD1-CD1 3.7Å; I75-F130 HydrophobicContact CD1-CE1 4.09Å; I75-F130 HydrophobicContact CG1-CD1 4.35Å; I75-I131 PolarHBondContact N-O 3.34Å; I75-V132 HydrophobicContact CB-CG1 4.27Å; I75-V132 HydrophobicContact CB-CG2 4.24Å; I75-V132 HydrophobicContact CD1-CG2 4.2Å; I75-V132 HydrophobicContact CG2-CG1 4.33Å; I75-V132 CarbonylContact O-C 3.52Å; I75-V132 WeakPolarHBondContact O-CA 3.46Å; I75-A133 PolarHBondContact O-N 3.25Å; I75-V160 HydrophobicContact CB-CB 4.27Å; I75-V160 HydrophobicContact CG1-CB 4Å; I75-V160 HydrophobicContact CG1-CG2 3.99Å; I75-V160 HydrophobicContact CG2-CB 4.11Å; I75-V160 HydrophobicContact CG2-CG1 4.24Å |
| 76 | L | 96.1 | Very high | 82.4 | Confident | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 129.9 | 176.2 | -60.3 | -176.1 | 0 | 0 | 0 | 110.5 | L74 A133 L138 L159 V160 L161 D162 M167 I179 | L74-L76 HydrophobicContact CD1-CD2 3.95Å; L74-L76 HydrophobicContact CD2-CD2 4.17Å; L74-L76 HydrophobicContact CD2-CG 4.42Å; L74-L76 HydrophobicContact CG-CD2 4.05Å; L74-L76 HydrophobicContact CG-CG 4.27Å; L76-A133 WeakPolarHBondContact CA-O 3.31Å; L76-A133 HydrophobicContact CD2-CB 4.07Å; L76-L138 HydrophobicContact CD2-CD2 3.87Å; L76-L159 HydrophobicContact CD1-CD1 4.42Å; L76-L159 HydrophobicContact CG-CD1 4.47Å; L76-V160 PolarHBondContact N-O 2.91Å; L76-L161 HydrophobicContact CB-CD2 3.94Å; L76-L161 HydrophobicContact CD1-CD2 3.65Å; L76-L161 HydrophobicContact CG-CD2 4.13Å; L76-D162 PolarHBondContact O-N 2.92Å; L76-M167 HydrophobicContact CB-CE 4.46Å; L76-M167 HydrophobicContact CB-SD 4.06Å; L76-I179 HydrophobicContact CD1-CD1 3.87Å |
| 77 | A | 95.2 | Very high | 84.1 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | trans | -128 | 146.9 | 176 | 0 | 0 | 0 | 0 | 0 | 110.9 | T79 L82 A83 L86 A133 P135 | A77-T79 VanDerWaalsContact C-N 3.35Å; A77-T79 PolarHBondContact O-N 3.32Å; A77-L82 HydrophobicContact CB-CB 4.18Å; A77-L82 HydrophobicContact CB-CD2 4.02Å; A77-L82 HydrophobicContact CB-CG 3.98Å; A77-A83 HydrophobicContact CB-CB 4.14Å; A77-L86 HydrophobicContact CB-CD1 3.94Å; A77-A133 PolarHBondContact N-O 2.76Å; A77-A133 VanDerWaalsContact N-O 3.12Å; A77-P135 VanDerWaalsContact O-CD 3.3Å; A77-P135 WeakPolarHBondContact O-CD 3.48Å | ||
| 78 | P | 93 | Very high | 86.2 | Confident | 4 Ų | 4 | 35.1 Ų | 35.1 | 3% | 0.026 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -67.7 | -30.9 | -176.1 | 24.7 | -35 | 0 | 0 | 0 | 113.9 | L82 D162 E163 R166 M167 M170 | P78-L82 HydrophobicContact CG-CD2 4Å; P78-D162 WeakPolarHBondContact CD-O 3.46Å; P78-E163 HydrophobicContact CG-CB 3.77Å; P78-R166 HydrophobicContact CB-CB 4.38Å; P78-R166 HydrophobicContact CB-CG 4.18Å; P78-R166 HydrophobicContact CG-CB 4.36Å; P78-R166 HydrophobicContact CG-CG 4.36Å; P78-M167 HydrophobicContact CB-CG 3.61Å; P78-M167 HydrophobicContact CG-CG 4.19Å; P78-M170 HydrophobicContact CB-SD 4.1Å |
| 79 | T | 92.5 | Very high | 88.4 | Confident | 23 Ų | 23 | 34 Ų | 34 | 14% | 0.141 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -124.8 | 157.2 | -175.3 | 78.3 | 0 | 0 | 0 | 0 | 111.6 | A77 E81 L82 A83 | A77-T79 VanDerWaalsContact C-N 3.35Å; A77-T79 PolarHBondContact O-N 3.32Å; T79-E81 VanDerWaalsContact C-N 3.29Å; T79-E81 WeakPolarHBondContact CB-OE2 3.5Å; T79-E81 PolarHBondContact O-N 3.06Å; T79-E81 PolarHBondContact OG1-OE2 3.32Å; T79-L82 PolarHBondContact O-N 3.07Å; T79-L82 PolarHBondContact OG1-N 3.15Å; T79-A83 WeakPolarHBondContact O-CB 3.41Å; T79-A83 PolarHBondContact O-N 3.39Å |
| 80 | R | 93.3 | Very high | 90.5 | Very high | 113 Ų | 113 | 31.5 Ų | 31.5 | 43% | 0.426 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -62.6 | -39.4 | 177.4 | 166.2 | 172.4 | 164.2 | -178 | -9.8 | 111.3 | A83 Q84 V111 G112 | R80-A83 PolarHBondContact O-N 3.17Å; R80-Q84 PolarHBondContact O-N 3.07Å; R80-V111 HydrophobicContact CB-CB 4.19Å; R80-V111 HydrophobicContact CB-CG1 4.29Å; R80-V111 HydrophobicContact CG-CB 3.82Å; R80-V111 HydrophobicContact CG-CG1 4.09Å; R80-V111 HydrophobicContact CG-CG2 3.93Å; R80-G112 WeakPolarHBondContact CD-O 3.5Å; R80-G112 PolarHBondContact NH1-O 2.99Å |
| 81 | E | 94.6 | Very high | 92.3 | Very high | 131 Ų | 131 | 32 Ų | 32 | 61% | 0.612 | 15% | 0.153 | S | C | * | . | H | α-helix | trans | -65.9 | -43.9 | -177.9 | -59.2 | 68.2 | -144.5 | 0 | 0 | 110.3 | T79 Q84 Q85 | T79-E81 VanDerWaalsContact C-N 3.29Å; T79-E81 WeakPolarHBondContact CB-OE2 3.5Å; T79-E81 PolarHBondContact O-N 3.06Å; T79-E81 PolarHBondContact OG1-OE2 3.32Å; E81-Q84 PolarHBondContact O-N 3.32Å; E81-Q85 PolarHBondContact O-N 3.2Å |
| 82 | L | 93.8 | Very high | 93.3 | Very high | 20 Ų | 20 | 38 Ų | 38 | 11% | 0.105 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.6 | -41.5 | 176.6 | -174.8 | 60.7 | 0 | 0 | 0 | 111.1 | A77 P78 T79 Q84 Q85 L86 E163 | A77-L82 HydrophobicContact CB-CB 4.18Å; A77-L82 HydrophobicContact CB-CD2 4.02Å; A77-L82 HydrophobicContact CB-CG 3.98Å; P78-L82 HydrophobicContact CG-CD2 4Å; T79-L82 PolarHBondContact O-N 3.07Å; T79-L82 PolarHBondContact OG1-N 3.15Å; L82-Q84 VanDerWaalsContact C-N 3.33Å; L82-Q84 PolarHBondContact O-N 2.87Å; L82-Q85 PolarHBondContact O-N 3.16Å; L82-L86 HydrophobicContact CD1-CG 4.46Å; L82-L86 HydrophobicContact CG-CD1 4.17Å; L82-L86 WeakPolarHBondContact O-CB 3.32Å; L82-L86 WeakPolarHBondContact O-CG 3.41Å; L82-L86 PolarHBondContact O-N 3.27Å; L82-E163 HydrophobicContact CD2-CB 4.34Å; L82-E163 HydrophobicContact CD2-CG 3.85Å |
| 83 | A | 96.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59 | -43.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | A77 T79 R80 L86 A87 L109 V111 V132 T134 | A77-A83 HydrophobicContact CB-CB 4.14Å; T79-A83 WeakPolarHBondContact O-CB 3.41Å; T79-A83 PolarHBondContact O-N 3.39Å; R80-A83 PolarHBondContact O-N 3.17Å; A83-L86 PolarHBondContact O-N 3.21Å; A83-A87 WeakPolarHBondContact O-CB 3.42Å; A83-A87 PolarHBondContact O-N 2.97Å; A83-L109 HydrophobicContact CB-CD1 3.81Å; A83-V111 HydrophobicContact CB-CG1 3.7Å; A83-V132 HydrophobicContact CB-CG1 4.01Å; A83-V132 VanDerWaalsContact O-CG1 3.29Å; A83-V132 WeakPolarHBondContact O-CG1 3.32Å; A83-T134 HydrophobicContact CB-CG2 4.47Å |
| 84 | Q | 95.9 | Very high | 93.6 | Very high | 73 Ų | 73 | 37.7 Ų | 37.7 | 34% | 0.341 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -63.9 | -43.5 | 176.3 | -176.3 | 68.9 | 67.3 | 0 | 0 | 111.8 | R80 E81 L82 L86 A87 N88 L109 | R80-Q84 PolarHBondContact O-N 3.07Å; E81-Q84 PolarHBondContact O-N 3.32Å; L82-Q84 VanDerWaalsContact C-N 3.33Å; L82-Q84 PolarHBondContact O-N 2.87Å; Q84-L86 VanDerWaalsContact C-N 3.34Å; Q84-L86 PolarHBondContact O-N 3.38Å; Q84-A87 PolarHBondContact O-N 2.9Å; Q84-N88 PolarHBondContact NE2-OD1 2.85Å; Q84-N88 PolarHBondContact O-N 3.15Å; Q84-N88 PolarHBondContact O-ND2 3.44Å; Q84-N88 PolarHBondContact O-OD1 3.36Å; Q84-L109 HydrophobicContact CB-CD2 4.3Å |
| 85 | Q | 94.8 | Very high | 93.1 | Very high | 121 Ų | 121 | 41.6 Ų | 41.6 | 57% | 0.565 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -60.3 | -45.4 | 177.4 | -178.5 | 179.6 | -16.7 | 0 | 0 | 111.3 | E81 L82 N88 E89 | E81-Q85 PolarHBondContact O-N 3.2Å; L82-Q85 PolarHBondContact O-N 3.16Å; Q85-N88 PolarHBondContact O-N 2.92Å; Q85-E89 WeakPolarHBondContact O-CB 3.16Å; Q85-E89 PolarHBondContact O-N 3.18Å |
| 86 | L | 96 | Very high | 92.2 | Very high | 3 Ų | 3 | 42.8 Ų | 42.8 | 2% | 0.016 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.4 | -40.6 | 177.4 | -72.6 | 173 | 0 | 0 | 0 | 112.3 | T52 F55 I75 A77 L82 A83 Q84 E89 A90 V132 D162 | T52-L86 HydrophobicContact CG2-CD2 3.66Å; F55-L86 HydrophobicContact CZ-CD2 3.84Å; I75-L86 HydrophobicContact CG2-CD1 3.83Å; A77-L86 HydrophobicContact CB-CD1 3.94Å; L82-L86 HydrophobicContact CD1-CG 4.46Å; L82-L86 HydrophobicContact CG-CD1 4.17Å; L82-L86 WeakPolarHBondContact O-CB 3.32Å; L82-L86 WeakPolarHBondContact O-CG 3.41Å; L82-L86 PolarHBondContact O-N 3.27Å; A83-L86 PolarHBondContact O-N 3.21Å; Q84-L86 VanDerWaalsContact C-N 3.34Å; Q84-L86 PolarHBondContact O-N 3.38Å; L86-E89 PolarHBondContact O-N 3.43Å; L86-A90 WeakPolarHBondContact O-CB 3.4Å; L86-A90 PolarHBondContact O-N 3.1Å; L86-V132 HydrophobicContact CB-CG1 4Å; L86-D162 HydrophobicContact CD1-CB 4.3Å |
| 87 | A | 95.8 | Very high | 91.2 | Very high | 2 Ų | 2 | 49.3 Ų | 49.3 | 2% | 0.017 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.6 | -47.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | A83 Q84 E89 A90 E91 V107 L109 V132 | A83-A87 WeakPolarHBondContact O-CB 3.42Å; A83-A87 PolarHBondContact O-N 2.97Å; Q84-A87 PolarHBondContact O-N 2.9Å; A87-E89 VanDerWaalsContact C-N 3.3Å; A87-E89 PolarHBondContact O-N 3.12Å; A87-A90 PolarHBondContact O-N 3.23Å; A87-E91 WeakPolarHBondContact O-CG 3.26Å; A87-E91 PolarHBondContact O-N 2.93Å; A87-V107 HydrophobicContact CB-CG1 3.9Å; A87-L109 HydrophobicContact CB-CD1 4.14Å; A87-V132 HydrophobicContact CB-CB 4.24Å; A87-V132 HydrophobicContact CB-CG2 4.07Å |
| 88 | N | 94.9 | Very high | 90.1 | Very high | 61 Ų | 61 | 52 Ų | 52 | 33% | 0.326 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -60.8 | -40 | 177.5 | -65.7 | -7.7 | 0 | 0 | 0 | 111.8 | Q84 Q85 E91 R92 | Q84-N88 PolarHBondContact NE2-OD1 2.85Å; Q84-N88 PolarHBondContact O-N 3.15Å; Q84-N88 PolarHBondContact O-ND2 3.44Å; Q84-N88 PolarHBondContact O-OD1 3.36Å; Q85-N88 PolarHBondContact O-N 2.92Å; N88-E91 PolarHBondContact O-N 3.47Å; N88-R92 WeakPolarHBondContact O-CB 3.46Å; N88-R92 VanDerWaalsContact O-CG 3.25Å; N88-R92 WeakPolarHBondContact O-CG 3.25Å; N88-R92 PolarHBondContact O-N 2.83Å |
| 89 | E | 93.8 | Very high | 88.9 | Confident | 30 Ų | 30 | 60.2 Ų | 60.2 | 14% | 0.14 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -70.3 | -39.9 | 179.1 | -164.7 | 60.5 | -160.2 | 0 | 0 | 111.8 | M19 W21 T52 L56 Q85 L86 A87 E91 R92 L93 | M19-E89 VanDerWaalsContact CE-OE1 3.23Å; M19-E89 WeakPolarHBondContact CE-OE1 3.27Å; W21-E89 WeakPolarHBondContact CZ2-OE1 3.49Å; T52-E89 HydrophobicContact CG2-CB 4.11Å; T52-E89 HydrophobicContact CG2-CG 3.7Å; L56-E89 HydrophobicContact CD1-CB 4.37Å; L56-E89 HydrophobicContact CD1-CG 4.21Å; Q85-E89 WeakPolarHBondContact O-CB 3.16Å; Q85-E89 PolarHBondContact O-N 3.18Å; L86-E89 PolarHBondContact O-N 3.43Å; A87-E89 VanDerWaalsContact C-N 3.3Å; A87-E89 PolarHBondContact O-N 3.12Å; E89-E91 PolarHBondContact O-N 3.45Å; E89-R92 PolarHBondContact O-N 3.34Å; E89-R92 IonicContact OE2-NH1 3.55Å; E89-L93 HydrophobicContact CG-CD1 4.36Å; E89-L93 WeakPolarHBondContact O-CG 3.2Å; E89-L93 PolarHBondContact O-N 3.28Å |
| 90 | A | 93.3 | Very high | 87.5 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.5 | -41.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112 | L56 L86 A87 G94 V107 F130 | L56-A90 HydrophobicContact CD1-CB 4.21Å; L56-A90 HydrophobicContact CD2-CB 4.05Å; L86-A90 WeakPolarHBondContact O-CB 3.4Å; L86-A90 PolarHBondContact O-N 3.1Å; A87-A90 PolarHBondContact O-N 3.23Å; A90-G94 WeakPolarHBondContact O-CA 3.26Å; A90-G94 PolarHBondContact O-N 2.94Å; A90-V107 HydrophobicContact CB-CG2 4.02Å; A90-F130 HydrophobicContact CB-CD2 4.48Å |
| 91 | E | 91.1 | Very high | 86.1 | Confident | 70 Ų | 70 | 61.7 Ų | 61.7 | 33% | 0.327 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.2 | -44.7 | 174.2 | -73.5 | 178.1 | 180 | 0 | 0 | 111.9 | A87 N88 E89 G94 Q95 V107 | A87-E91 WeakPolarHBondContact O-CG 3.26Å; A87-E91 PolarHBondContact O-N 2.93Å; N88-E91 PolarHBondContact O-N 3.47Å; E89-E91 PolarHBondContact O-N 3.45Å; E91-G94 CarbonylContact O-C 3.55Å; E91-G94 PolarHBondContact O-N 3.38Å; E91-Q95 WeakPolarHBondContact O-CG 3.42Å; E91-Q95 PolarHBondContact O-N 3.21Å; E91-Q95 VanDerWaalsContact O-N 3.12Å; E91-V107 HydrophobicContact CG-CB 3.87Å; E91-V107 HydrophobicContact CG-CG2 3.59Å |
| 92 | R | 90 | Very high | 85 | Confident | 138 Ų | 138 | 57.8 Ų | 57.8 | 52% | 0.521 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.3 | -44.2 | 179.6 | -75.6 | 172.5 | 179 | 178.9 | -3.1 | 112.7 | R18 M19 N88 E89 G94 | R18-R92 PolarHBondContact NH2-O 3.43Å; M19-R92 HydrophobicContact CE-CB 3.88Å; M19-R92 HydrophobicContact SD-CB 4.17Å; N88-R92 WeakPolarHBondContact O-CB 3.46Å; N88-R92 VanDerWaalsContact O-CG 3.25Å; N88-R92 WeakPolarHBondContact O-CG 3.25Å; N88-R92 PolarHBondContact O-N 2.83Å; E89-R92 PolarHBondContact O-N 3.34Å; E89-R92 IonicContact OE2-NH1 3.55Å; R92-G94 VanDerWaalsContact C-N 3.33Å |
| 93 | L | 89.1 | Confident | 83.9 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -71.8 | -30.9 | 176.1 | -66.8 | 176.5 | 0 | 0 | 0 | 111.9 | V15 M19 W21 L56 I60 E89 Q95 | V15-L93 HydrophobicContact CG1-CD2 3.79Å; M19-L93 HydrophobicContact CG-CD2 4.03Å; W21-L93 HydrophobicContact CH2-CD1 3.94Å; W21-L93 HydrophobicContact CH2-CD2 4.05Å; W21-L93 HydrophobicContact CZ2-CD2 4.46Å; W21-L93 HydrophobicContact CZ3-CD2 4.3Å; L56-L93 HydrophobicContact CB-CD1 3.79Å; L56-L93 HydrophobicContact CD1-CD1 3.76Å; L56-L93 HydrophobicContact CG-CD1 4.44Å; I60-L93 HydrophobicContact CD1-CB 3.53Å; E89-L93 HydrophobicContact CG-CD1 4.36Å; E89-L93 WeakPolarHBondContact O-CG 3.2Å; E89-L93 PolarHBondContact O-N 3.28Å; L93-Q95 VanDerWaalsContact C-N 3.29Å; L93-Q95 PolarHBondContact O-N 2.88Å |
| 94 | G | 85.5 | Confident | 83.1 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -0.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | A90 E91 R92 F103 H104 L105 | A90-G94 WeakPolarHBondContact O-CA 3.26Å; A90-G94 PolarHBondContact O-N 2.94Å; E91-G94 CarbonylContact O-C 3.55Å; E91-G94 PolarHBondContact O-N 3.38Å; R92-G94 VanDerWaalsContact C-N 3.33Å; G94-F103 WeakPolarHBondContact O-CD2 3.48Å; G94-H104 CarbonylContact O-C 3.56Å; G94-H104 WeakPolarHBondContact O-CA 3.33Å; G94-L105 PolarHBondContact O-N 3.17Å |
| 95 | Q | 83.2 | Confident | 82.4 | Confident | 84 Ų | 84 | 56.7 Ų | 56.7 | 39% | 0.393 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 111.5 | 176.8 | -79.1 | 170.1 | 25.1 | 0 | 0 | 110.4 | R18 E91 L93 H104 | R18-Q95 VanDerWaalsContact CZ-O 3.25Å; R18-Q95 PolarHBondContact NH1-O 2.79Å; R18-Q95 PolarHBondContact NH2-O 2.99Å; E91-Q95 WeakPolarHBondContact O-CG 3.42Å; E91-Q95 PolarHBondContact O-N 3.21Å; E91-Q95 VanDerWaalsContact O-N 3.12Å; L93-Q95 VanDerWaalsContact C-N 3.29Å; L93-Q95 PolarHBondContact O-N 2.88Å; Q95-H104 VanDerWaalsContact CG-ND1 3.3Å; Q95-H104 WeakPolarHBondContact CG-ND1 3.39Å |
| 96 | Y | 77.4 | Confident | 81.7 | Confident | 25 Ų | 25 | 54.8 Ų | 54.8 | 10% | 0.098 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 137.7 | 174.6 | -179.5 | -106.6 | 0 | 0 | 0 | 110.2 | E11 V15 T98 L101 E102 F103 | E11-Y96 HydrophobicContact CB-CD1 4.38Å; E11-Y96 HydrophobicContact CB-CE1 4.01Å; E11-Y96 HydrophobicContact CB-CE2 4.46Å; E11-Y96 HydrophobicContact CG-CD1 4.48Å; E11-Y96 HydrophobicContact CG-CE1 3.85Å; V15-Y96 HydrophobicContact CG2-CD2 3.52Å; V15-Y96 HydrophobicContact CG2-CE2 4.33Å; V15-Y96 HydrophobicContact CG2-CG 4.2Å; Y96-T98 HydrophobicContact CE1-CG2 3.82Å; Y96-T98 HydrophobicContact CE2-CG2 4.1Å; Y96-T98 VanDerWaalsContact CZ-CG2 3.47Å; Y96-T98 VanDerWaalsContact OH-CG2 3.26Å; Y96-T98 WeakPolarHBondContact OH-CG2 3.42Å; Y96-L101 HydrophobicContact CD1-CD2 4.37Å; Y96-L101 HydrophobicContact CD1-CG 4.32Å; Y96-L101 HydrophobicContact CE1-CB 4.37Å; Y96-L101 HydrophobicContact CE1-CD2 4.15Å; Y96-L101 HydrophobicContact CE1-CG 4.3Å; Y96-E102 CarbonylContact O-C 3.57Å; Y96-E102 VanDerWaalsContact O-CA 3.26Å; Y96-E102 WeakPolarHBondContact O-CA 3.44Å; Y96-F103 AromaticContact CD1-CD1 3.88Å; Y96-F103 HydrophobicContact CD1-CD1 3.88Å; Y96-F103 AromaticContact CD1-CE1 3.58Å; Y96-F103 HydrophobicContact CD1-CE1 3.58Å; Y96-F103 HydrophobicContact CD1-CZ 4.43Å; Y96-F103 HydrophobicContact CG-CD1 4.23Å; Y96-F103 AromaticContact CG-CE1 3.69Å; Y96-F103 HydrophobicContact CG-CE1 3.69Å; Y96-F103 HydrophobicContact CG-CZ 4.09Å; Y96-F103 PolarHBondContact N-O 3.22Å; Y96-F103 PolarHBondContact O-N 2.77Å |
| 97 | K | 75.4 | Confident | 81.4 | Confident | 138 Ų | 138 | 55.4 Ų | 55.4 | 60% | 0.6 | 26% | 0.263 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -147 | 124.4 | -178.8 | -175.8 | 172.1 | -175.4 | 133.3 | 0 | 110.8 | L101 E102 | K97-L101 CarbonylContact C-O 3.56Å; K97-L101 WeakPolarHBondContact CA-O 3.44Å; K97-E102 HydrophobicContact CB-CG 4.11Å; K97-E102 HydrophobicContact CD-CG 4.35Å; K97-E102 WeakPolarHBondContact CD-OE2 3.28Å; K97-E102 WeakPolarHBondContact CE-OE2 3.44Å; K97-E102 HydrophobicContact CG-CB 4.32Å; K97-E102 HydrophobicContact CG-CG 4.04Å; K97-E102 IonicContact NZ-OE1 3.69Å; K97-E102 IonicContact NZ-OE2 2.68Å; K97-E102 PolarHBondContact NZ-OE2 3.02Å |
| 98 | T | 73.6 | Confident | 81.2 | Confident | 55 Ų | 55 | 55.6 Ų | 55.6 | 34% | 0.337 | 26% | 0.264 | S | S | . | . | trans | -134.3 | 171.3 | 165 | 64.8 | 0 | 0 | 0 | 0 | 108.8 | Y96 E100 L101 | Y96-T98 HydrophobicContact CE1-CG2 3.82Å; Y96-T98 HydrophobicContact CE2-CG2 4.1Å; Y96-T98 VanDerWaalsContact CZ-CG2 3.47Å; Y96-T98 VanDerWaalsContact OH-CG2 3.26Å; Y96-T98 WeakPolarHBondContact OH-CG2 3.42Å; T98-E100 PolarHBondContact O-N 3.37Å; T98-E100 VanDerWaalsContact O-N 3.11Å; T98-E100 PolarHBondContact OG1-N 2.93Å; T98-L101 PolarHBondContact N-O 3.28Å; T98-L101 PolarHBondContact O-N 2.94Å; T98-L101 PolarHBondContact OG1-N 2.94Å; T98-L101 VanDerWaalsContact OG1-N 3.08Å; T98-L101 PolarHBondContact OG1-O 3.41Å | ||
| 99 | D | 67.8 | Low | 81.2 | Confident | 178 Ų | 178 | 53.8 Ų | 53.8 | 95% | 0.952 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -59.1 | -23 | 175 | -58.9 | -32.9 | 0 | 0 | 0 | 112.7 | ||
| 100 | E | 61.8 | Low | 81.2 | Confident | 142 Ų | 142 | 52.3 Ų | 52.3 | 66% | 0.664 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -101 | -25.3 | -176.3 | -52 | -165.1 | 142 | 0 | 0 | 113.9 | T98 K301 | T98-E100 PolarHBondContact O-N 3.37Å; T98-E100 VanDerWaalsContact O-N 3.11Å; T98-E100 PolarHBondContact OG1-N 2.93Å; E100-K301 IonicContact OE1-NZ 2.82Å; E100-K301 PolarHBondContact OE1-NZ 3.23Å; E100-K301 WeakPolarHBondContact OE2-CE 3.33Å; E100-K301 IonicContact OE2-NZ 2.75Å; E100-K301 PolarHBondContact OE2-NZ 2.96Å |
| 101 | L | 64.9 | Low | 81.2 | Confident | 24 Ų | 24 | 52.3 Ų | 52.3 | 13% | 0.126 | 25% | 0.247 | C | C | . | . | trans | -151.9 | 126.1 | -171.1 | 179.8 | 57.2 | 0 | 0 | 0 | 111.9 | E11 Y96 K97 T98 L299 | E11-L101 HydrophobicContact CG-CD2 3.96Å; Y96-L101 HydrophobicContact CD1-CD2 4.37Å; Y96-L101 HydrophobicContact CD1-CG 4.32Å; Y96-L101 HydrophobicContact CE1-CB 4.37Å; Y96-L101 HydrophobicContact CE1-CD2 4.15Å; Y96-L101 HydrophobicContact CE1-CG 4.3Å; K97-L101 CarbonylContact C-O 3.56Å; K97-L101 WeakPolarHBondContact CA-O 3.44Å; T98-L101 PolarHBondContact N-O 3.28Å; T98-L101 PolarHBondContact O-N 2.94Å; T98-L101 PolarHBondContact OG1-N 2.94Å; T98-L101 VanDerWaalsContact OG1-N 3.08Å; T98-L101 PolarHBondContact OG1-O 3.41Å; L101-L299 HydrophobicContact CD1-CD2 3.16Å; L101-L299 HydrophobicContact CD2-CD2 3.97Å; L101-L299 HydrophobicContact CG-CD2 4.17Å | ||
| 102 | E | 70.5 | Confident | 81.1 | Confident | 50 Ų | 50 | 50.6 Ų | 50.6 | 23% | 0.234 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 132 | 170.5 | -173.9 | 171.8 | 167.2 | 0 | 0 | 109.9 | Y96 K97 S479 | Y96-E102 CarbonylContact O-C 3.57Å; Y96-E102 VanDerWaalsContact O-CA 3.26Å; Y96-E102 WeakPolarHBondContact O-CA 3.44Å; K97-E102 HydrophobicContact CB-CG 4.11Å; K97-E102 HydrophobicContact CD-CG 4.35Å; K97-E102 WeakPolarHBondContact CD-OE2 3.28Å; K97-E102 WeakPolarHBondContact CE-OE2 3.44Å; K97-E102 HydrophobicContact CG-CB 4.32Å; K97-E102 HydrophobicContact CG-CG 4.04Å; K97-E102 IonicContact NZ-OE1 3.69Å; K97-E102 IonicContact NZ-OE2 2.68Å; K97-E102 PolarHBondContact NZ-OE2 3.02Å; E102-S479 VanDerWaalsContact OE1-CB 3.32Å; E102-S479 WeakPolarHBondContact OE1-CB 3.44Å; E102-S479 PolarHBondContact OE1-OG 2.82Å |
| 103 | F | 71.8 | Confident | 81 | Confident | 3 Ų | 3 | 47.4 Ų | 47.4 | 1% | 0.013 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 149.1 | 169.3 | 70.5 | -105.2 | 0 | 0 | 0 | 111.9 | E11 I64 G94 Y96 L476 | E11-F103 HydrophobicContact CB-CE1 4.49Å; I64-F103 HydrophobicContact CD1-CE1 3.9Å; I64-F103 HydrophobicContact CD1-CE2 4.16Å; I64-F103 HydrophobicContact CD1-CZ 3.53Å; I64-F103 HydrophobicContact CG1-CE1 4.45Å; I64-F103 HydrophobicContact CG1-CZ 4.27Å; G94-F103 WeakPolarHBondContact O-CD2 3.48Å; Y96-F103 AromaticContact CD1-CD1 3.88Å; Y96-F103 HydrophobicContact CD1-CD1 3.88Å; Y96-F103 AromaticContact CD1-CE1 3.58Å; Y96-F103 HydrophobicContact CD1-CE1 3.58Å; Y96-F103 HydrophobicContact CD1-CZ 4.43Å; Y96-F103 HydrophobicContact CG-CD1 4.23Å; Y96-F103 AromaticContact CG-CE1 3.69Å; Y96-F103 HydrophobicContact CG-CE1 3.69Å; Y96-F103 HydrophobicContact CG-CZ 4.09Å; Y96-F103 PolarHBondContact N-O 3.22Å; Y96-F103 PolarHBondContact O-N 2.77Å; F103-L476 HydrophobicContact CB-CB 3.95Å; F103-L476 HydrophobicContact CB-CD1 3.7Å; F103-L476 HydrophobicContact CB-CD2 4.06Å; F103-L476 HydrophobicContact CB-CG 4.07Å; F103-L476 HydrophobicContact CD1-CD1 4.06Å; F103-L476 HydrophobicContact CG-CD1 3.92Å |
| 104 | H | 79.5 | Confident | 81 | Confident | 66 Ų | 66 | 50.2 Ų | 50.2 | 31% | 0.306 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 126.7 | 178.8 | 179.3 | 67 | 0 | 0 | 0 | 110.2 | G94 Q95 E106 | G94-H104 CarbonylContact O-C 3.56Å; G94-H104 WeakPolarHBondContact O-CA 3.33Å; Q95-H104 VanDerWaalsContact CG-ND1 3.3Å; Q95-H104 WeakPolarHBondContact CG-ND1 3.39Å; H104-E106 IonicContact CD2-OE1 3.98Å; H104-E106 IonicContact NE2-OE1 2.98Å |
| 105 | L | 80.3 | Confident | 81 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 29% | 0.294 | C | S | . | . | trans | -97.3 | 121.9 | 175 | -56.5 | -177.5 | 0 | 0 | 0 | 111.5 | I60 G94 H129 F130 L476 | I60-L105 HydrophobicContact CB-CD1 4.34Å; I60-L105 HydrophobicContact CD1-CD1 4.43Å; I60-L105 HydrophobicContact CG1-CD1 3.79Å; I60-L105 HydrophobicContact CG2-CD1 3.89Å; G94-L105 PolarHBondContact O-N 3.17Å; L105-H129 WeakPolarHBondContact CA-ND1 3.46Å; L105-H129 HydrophobicContact CB-CB 4.36Å; L105-H129 HydrophobicContact CD2-CB 4.43Å; L105-F130 HydrophobicContact CD1-CE2 3.88Å; L105-L476 HydrophobicContact CD2-CD2 4.1Å | ||
| 106 | E | 80.9 | Confident | 81.1 | Confident | 81 Ų | 81 | 51.9 Ų | 51.9 | 38% | 0.379 | 28% | 0.282 | S | S | . | . | trans | -72.3 | 130.7 | 172 | -67.5 | -68.8 | 158.7 | 0 | 0 | 112.9 | H104 K127 H129 F130 | H104-E106 IonicContact CD2-OE1 3.98Å; H104-E106 IonicContact NE2-OE1 2.98Å; E106-K127 WeakPolarHBondContact CB-O 3.05Å; E106-H129 PolarHBondContact N-ND1 3.34Å; E106-H129 PolarHBondContact O-N 3.41Å; E106-F130 PolarHBondContact O-N 2.99Å | ||
| 107 | V | 89.9 | Confident | 81.2 | Confident | 16 Ų | 16 | 55 Ų | 55 | 10% | 0.097 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 129.9 | 179.2 | -175.5 | 0 | 0 | 0 | 0 | 109.6 | A87 A90 E91 F130 V132 | A87-V107 HydrophobicContact CB-CG1 3.9Å; A90-V107 HydrophobicContact CB-CG2 4.02Å; E91-V107 HydrophobicContact CG-CB 3.87Å; E91-V107 HydrophobicContact CG-CG2 3.59Å; V107-F130 HydrophobicContact CB-CB 4.34Å; V107-F130 HydrophobicContact CG1-CB 3.97Å; V107-F130 HydrophobicContact CG2-CB 4.08Å; V107-F130 HydrophobicContact CG2-CD2 4.16Å; V107-F130 HydrophobicContact CG2-CG 4.47Å; V107-V132 HydrophobicContact CG1-CG2 3.88Å |
| 108 | I | 90.7 | Very high | 81.3 | Confident | 7 Ų | 7 | 52.9 Ų | 52.9 | 4% | 0.036 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 125.2 | 172 | -64.4 | -179.8 | 0 | 0 | 0 | 109.3 | L110 K122 L123 R126 H128 F130 I131 V132 | I108-L110 HydrophobicContact CG2-CD2 3.77Å; I108-L110 HydrophobicContact CG2-CG 4.13Å; I108-K122 HydrophobicContact CD1-CB 4.32Å; I108-L123 HydrophobicContact CD1-CD2 4.18Å; I108-L123 HydrophobicContact CG2-CD2 4.08Å; I108-L123 HydrophobicContact CG2-CG 4.49Å; I108-R126 HydrophobicContact CD1-CB 4.36Å; I108-H128 HydrophobicContact CD1-CB 3.67Å; I108-H128 VanDerWaalsContact CD1-ND1 3.25Å; I108-H128 WeakPolarHBondContact CD1-ND1 3.38Å; I108-H128 HydrophobicContact CG1-CB 3.75Å; I108-F130 PolarHBondContact N-O 3.38Å; I108-I131 CarbonylContact O-C 3.51Å; I108-I131 WeakPolarHBondContact O-CA 3.25Å; I108-V132 PolarHBondContact O-N 2.97Å |
| 109 | L | 95 | Very high | 81.8 | Confident | 22 Ų | 22 | 50.3 Ų | 50.3 | 12% | 0.115 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 129 | 172.1 | -176.4 | 67.7 | 0 | 0 | 0 | 110.9 | A83 Q84 A87 V111 V132 | A83-L109 HydrophobicContact CB-CD1 3.81Å; Q84-L109 HydrophobicContact CB-CD2 4.3Å; A87-L109 HydrophobicContact CB-CD1 4.14Å; L109-V111 HydrophobicContact CD1-CG1 3.65Å; L109-V111 HydrophobicContact CD2-CG1 4.31Å; L109-V111 HydrophobicContact CD2-CG2 4.05Å; L109-V111 HydrophobicContact CG-CG1 3.86Å; L109-V111 HydrophobicContact CG-CG2 4.11Å; L109-V132 CarbonylContact C-O 3.2Å; L109-V132 WeakPolarHBondContact CA-O 3.46Å; L109-V132 HydrophobicContact CD1-CB 4.21Å; L109-V132 HydrophobicContact CD1-CG1 4.37Å |
| 110 | L | 92.7 | Very high | 82.3 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 92.1 | 176.7 | -57.8 | -178.1 | 0 | 0 | 0 | 111.2 | I108 Q119 L123 I131 V132 A133 T134 R137 L138 | I108-L110 HydrophobicContact CG2-CD2 3.77Å; I108-L110 HydrophobicContact CG2-CG 4.13Å; L110-Q119 HydrophobicContact CD2-CB 3.89Å; L110-Q119 HydrophobicContact CD2-CG 4.01Å; L110-L123 HydrophobicContact CD1-CD1 3.79Å; L110-L123 HydrophobicContact CD1-CD2 4Å; L110-L123 HydrophobicContact CD1-CG 4.41Å; L110-L123 HydrophobicContact CD2-CD1 3.71Å; L110-L123 HydrophobicContact CD2-CD2 4.27Å; L110-L123 HydrophobicContact CD2-CG 4.08Å; L110-L123 HydrophobicContact CG-CD1 4.4Å; L110-I131 HydrophobicContact CD1-CG2 3.61Å; L110-I131 HydrophobicContact CG-CG2 3.96Å; L110-V132 PolarHBondContact N-O 3.08Å; L110-A133 HydrophobicContact CB-CB 3.81Å; L110-A133 HydrophobicContact CD1-CB 4.44Å; L110-A133 VanDerWaalsContact O-CA 3.3Å; L110-A133 WeakPolarHBondContact O-CA 3.39Å; L110-T134 PolarHBondContact O-N 3.27Å; L110-T134 VanDerWaalsContact O-N 3.07Å; L110-R137 HydrophobicContact CB-CG 4.29Å; L110-L138 HydrophobicContact CD1-CD1 4.19Å |
| 111 | V | 94.8 | Very high | 82.7 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | trans | -126.4 | 157.8 | -178.1 | -64.9 | 0 | 0 | 0 | 0 | 112.9 | R80 A83 L109 E114 Q119 T134 R137 | R80-V111 HydrophobicContact CB-CB 4.19Å; R80-V111 HydrophobicContact CB-CG1 4.29Å; R80-V111 HydrophobicContact CG-CB 3.82Å; R80-V111 HydrophobicContact CG-CG1 4.09Å; R80-V111 HydrophobicContact CG-CG2 3.93Å; A83-V111 HydrophobicContact CB-CG1 3.7Å; L109-V111 HydrophobicContact CD1-CG1 3.65Å; L109-V111 HydrophobicContact CD2-CG1 4.31Å; L109-V111 HydrophobicContact CD2-CG2 4.05Å; L109-V111 HydrophobicContact CG-CG1 3.86Å; L109-V111 HydrophobicContact CG-CG2 4.11Å; V111-E114 HydrophobicContact CG2-CG 4.02Å; V111-Q119 PolarHBondContact O-NE2 3.06Å; V111-Q119 VanDerWaalsContact O-NE2 3.07Å; V111-T134 HydrophobicContact CG1-CG2 4.17Å; V111-R137 PolarHBondContact O-NE 2.83Å; V111-R137 PolarHBondContact O-NH2 2.96Å | ||
| 112 | G | 88.9 | Confident | 83.2 | Confident | 33 Ų | 33 | 43.2 Ų | 43.2 | 34% | 0.34 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | 148.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | R80 E114 | R80-G112 WeakPolarHBondContact CD-O 3.5Å; R80-G112 PolarHBondContact NH1-O 2.99Å; G112-E114 VanDerWaalsContact C-N 3.32Å; G112-E114 PolarHBondContact O-N 3.14Å |
| 113 | G | 88.3 | Confident | 83.3 | Confident | 72 Ų | 72 | 41 Ų | 41 | 74% | 0.742 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 85.7 | -5.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | R137 | G113-R137 VanDerWaalsContact N-NH2 3.19Š|
| 114 | E | 88.7 | Confident | 83 | Confident | 58 Ų | 58 | 44.1 Ų | 44.1 | 27% | 0.271 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -92.5 | 163.7 | 166.7 | -66.6 | -175 | 178.8 | 0 | 0 | 112.2 | V111 G112 M116 Q119 R137 | V111-E114 HydrophobicContact CG2-CG 4.02Å; G112-E114 VanDerWaalsContact C-N 3.32Å; G112-E114 PolarHBondContact O-N 3.14Å; E114-M116 PolarHBondContact O-N 3.42Å; E114-Q119 PolarHBondContact OE2-NE2 3.34Å; E114-R137 PolarHBondContact O-NH2 3.47Å |
| 115 | D | 85.8 | Confident | 82 | Confident | 87 Ų | 87 | 50 Ų | 50 | 47% | 0.465 | 29% | 0.287 | S | S | . | . | trans | -66 | 130.3 | 177.9 | -175.6 | -96.5 | 0 | 0 | 0 | 111.9 | V117 D118 Q119 | D115-V117 WeakPolarHBondContact OD1-CA 3.43Å; D115-V117 VanDerWaalsContact OD1-CB 3.3Å; D115-V117 WeakPolarHBondContact OD1-CB 3.26Å; D115-V117 PolarHBondContact OD1-N 3.08Å; D115-D118 HydrophobicContact CB-CB 4.18Å; D115-D118 PolarHBondContact OD1-N 3.38Å; D115-Q119 WeakPolarHBondContact O-CG 3.46Å; D115-Q119 PolarHBondContact O-N 3.36Å | ||
| 116 | M | 84.7 | Confident | 81.2 | Confident | 32 Ų | 32 | 56.9 Ų | 56.9 | 16% | 0.158 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -72.3 | -36.7 | -175.7 | -171.4 | 66.8 | 92.8 | 0 | 0 | 111.7 | E114 A120 D140 H141 | E114-M116 PolarHBondContact O-N 3.42Å; M116-A120 WeakPolarHBondContact O-CB 3.25Å; M116-A120 PolarHBondContact O-N 2.97Å; M116-D140 HydrophobicContact CE-CB 3.66Å; M116-H141 PolarHBondContact SD-CE1 2.6Å; M116-H141 PolarHBondContact SD-NE2 2.79Å; M116-H141 VanDerWaalsContact SD-NE2 3.4Å |
| 117 | V | 79.7 | Confident | 80.4 | Confident | 92 Ų | 92 | 56.4 Ų | 56.4 | 56% | 0.558 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -69.8 | -44.3 | -177.2 | -178.7 | 0 | 0 | 0 | 0 | 109.3 | D115 Q119 A120 L121 | D115-V117 WeakPolarHBondContact OD1-CA 3.43Å; D115-V117 VanDerWaalsContact OD1-CB 3.3Å; D115-V117 WeakPolarHBondContact OD1-CB 3.26Å; D115-V117 PolarHBondContact OD1-N 3.08Å; V117-Q119 PolarHBondContact O-N 3.48Å; V117-A120 PolarHBondContact O-N 3.31Å; V117-L121 HydrophobicContact CG1-CD1 4.06Å; V117-L121 HydrophobicContact CG1-CG 4.3Å; V117-L121 WeakPolarHBondContact O-CB 3.5Å; V117-L121 VanDerWaalsContact O-CG 3.27Å; V117-L121 WeakPolarHBondContact O-CG 3.33Å; V117-L121 PolarHBondContact O-N 2.87Å |
| 118 | D | 77.6 | Confident | 79.7 | Confident | 92 Ų | 92 | 56.5 Ų | 56.5 | 49% | 0.492 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.1 | -43.8 | 176.5 | -76.7 | -14.1 | 0 | 0 | 0 | 112.1 | D115 L121 K122 | D115-D118 HydrophobicContact CB-CB 4.18Å; D115-D118 PolarHBondContact OD1-N 3.38Å; D118-L121 PolarHBondContact O-N 3Å; D118-K122 VanDerWaalsContact O-CG 3.32Å; D118-K122 WeakPolarHBondContact O-CG 3.43Å; D118-K122 PolarHBondContact O-N 2.96Å |
| 119 | Q | 84.4 | Confident | 79.3 | Confident | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.3 | -43.4 | 174.2 | -75.8 | -175.6 | -5 | 0 | 0 | 111.6 | L110 V111 E114 D115 V117 L121 K122 L123 H141 | L110-Q119 HydrophobicContact CD2-CB 3.89Å; L110-Q119 HydrophobicContact CD2-CG 4.01Å; V111-Q119 PolarHBondContact O-NE2 3.06Å; V111-Q119 VanDerWaalsContact O-NE2 3.07Å; E114-Q119 PolarHBondContact OE2-NE2 3.34Å; D115-Q119 WeakPolarHBondContact O-CG 3.46Å; D115-Q119 PolarHBondContact O-N 3.36Å; V117-Q119 PolarHBondContact O-N 3.48Å; Q119-L121 VanDerWaalsContact C-N 3.34Å; Q119-L121 PolarHBondContact O-N 3.32Å; Q119-K122 PolarHBondContact O-N 3.24Å; Q119-L123 VanDerWaalsContact O-CG 3.3Å; Q119-L123 WeakPolarHBondContact O-CG 3.37Å; Q119-L123 PolarHBondContact O-N 3.48Å; Q119-H141 WeakPolarHBondContact CB-NE2 3.31Å; Q119-H141 PolarHBondContact OE1-NE2 2.93Å |
| 120 | A | 76.4 | Confident | 79.1 | Confident | 40 Ų | 40 | 55.7 Ų | 55.7 | 33% | 0.331 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.7 | -39.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | M116 V117 L123 A124 | M116-A120 WeakPolarHBondContact O-CB 3.25Å; M116-A120 PolarHBondContact O-N 2.97Å; V117-A120 PolarHBondContact O-N 3.31Å; A120-L123 PolarHBondContact O-N 3.35Å; A120-A124 VanDerWaalsContact O-CB 3.28Å; A120-A124 WeakPolarHBondContact O-CB 3.31Å; A120-A124 PolarHBondContact O-N 3.24Å |
| 121 | L | 70.9 | Confident | 79 | Confident | 79 Ų | 79 | 55.8 Ų | 55.8 | 41% | 0.414 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65 | -44.4 | 174.2 | -71.9 | 173.6 | 0 | 0 | 0 | 111.2 | V117 D118 Q119 L123 A124 W125 | V117-L121 HydrophobicContact CG1-CD1 4.06Å; V117-L121 HydrophobicContact CG1-CG 4.3Å; V117-L121 WeakPolarHBondContact O-CB 3.5Å; V117-L121 VanDerWaalsContact O-CG 3.27Å; V117-L121 WeakPolarHBondContact O-CG 3.33Å; V117-L121 PolarHBondContact O-N 2.87Å; D118-L121 PolarHBondContact O-N 3Å; Q119-L121 VanDerWaalsContact C-N 3.34Å; Q119-L121 PolarHBondContact O-N 3.32Å; L121-L123 VanDerWaalsContact C-N 3.32Å; L121-L123 PolarHBondContact O-N 3.45Å; L121-A124 PolarHBondContact O-N 2.99Å; L121-W125 VanDerWaalsContact CD2-NE1 3.32Å; L121-W125 WeakPolarHBondContact O-CB 3.34Å; L121-W125 PolarHBondContact O-N 3.44Å |
| 122 | K | 75.8 | Confident | 79.1 | Confident | 77 Ų | 77 | 55.8 Ų | 55.8 | 34% | 0.335 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -57 | -46.7 | 174.3 | -72.7 | 172.6 | -173.6 | 176.1 | 0 | 110.8 | I108 D118 Q119 A124 R126 | I108-K122 HydrophobicContact CD1-CB 4.32Å; D118-K122 VanDerWaalsContact O-CG 3.32Å; D118-K122 WeakPolarHBondContact O-CG 3.43Å; D118-K122 PolarHBondContact O-N 2.96Å; Q119-K122 PolarHBondContact O-N 3.24Å; K122-A124 PolarHBondContact O-N 3.37Å; K122-R126 WeakPolarHBondContact O-CA 3.31Å; K122-R126 WeakPolarHBondContact O-CB 3.37Å; K122-R126 PolarHBondContact O-N 3.24Å |
| 123 | L | 73.1 | Confident | 79.4 | Confident | 3 Ų | 3 | 54.2 Ų | 54.2 | 2% | 0.016 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.3 | -37.7 | 179.5 | -67.5 | 162.2 | 0 | 0 | 0 | 113.4 | I108 L110 Q119 A120 L121 I131 F148 Q152 | I108-L123 HydrophobicContact CD1-CD2 4.18Å; I108-L123 HydrophobicContact CG2-CD2 4.08Å; I108-L123 HydrophobicContact CG2-CG 4.49Å; L110-L123 HydrophobicContact CD1-CD1 3.79Å; L110-L123 HydrophobicContact CD1-CD2 4Å; L110-L123 HydrophobicContact CD1-CG 4.41Å; L110-L123 HydrophobicContact CD2-CD1 3.71Å; L110-L123 HydrophobicContact CD2-CD2 4.27Å; L110-L123 HydrophobicContact CD2-CG 4.08Å; L110-L123 HydrophobicContact CG-CD1 4.4Å; Q119-L123 VanDerWaalsContact O-CG 3.3Å; Q119-L123 WeakPolarHBondContact O-CG 3.37Å; Q119-L123 PolarHBondContact O-N 3.48Å; A120-L123 PolarHBondContact O-N 3.35Å; L121-L123 VanDerWaalsContact C-N 3.32Å; L121-L123 PolarHBondContact O-N 3.45Å; L123-I131 HydrophobicContact CD2-CD1 3.59Å; L123-I131 HydrophobicContact CD2-CG1 4.38Å; L123-F148 HydrophobicContact CB-CE2 3.86Å; L123-F148 HydrophobicContact CD1-CE2 3.53Å; L123-F148 HydrophobicContact CD1-CZ 3.79Å; L123-F148 HydrophobicContact CD2-CE2 4.29Å; L123-F148 HydrophobicContact CD2-CZ 4.22Å; L123-F148 HydrophobicContact CG-CE2 4.08Å; L123-F148 HydrophobicContact CG-CZ 4.41Å; L123-Q152 PolarHBondContact O-NE2 2.97Å |
| 124 | A | 65.3 | Low | 79.7 | Confident | 68 Ų | 68 | 51.5 Ų | 51.5 | 56% | 0.562 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -74.8 | -35.1 | -179 | 0 | 0 | 0 | 0 | 0 | 112.8 | A120 L121 K122 | A120-A124 VanDerWaalsContact O-CB 3.28Å; A120-A124 WeakPolarHBondContact O-CB 3.31Å; A120-A124 PolarHBondContact O-N 3.24Å; L121-A124 PolarHBondContact O-N 2.99Å; K122-A124 PolarHBondContact O-N 3.37Å |
| 125 | W | 58.3 | Low | 79.8 | Confident | 189 Ų | 189 | 48.7 Ų | 48.7 | 72% | 0.716 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -114.8 | -19.7 | -166.2 | -56.2 | 114.6 | 0 | 0 | 0 | 114.6 | L121 | L121-W125 VanDerWaalsContact CD2-NE1 3.32Å; L121-W125 WeakPolarHBondContact O-CB 3.34Å; L121-W125 PolarHBondContact O-N 3.44Å |
| 126 | R | 62.8 | Low | 80 | Confident | 145 Ų | 145 | 45.5 Ų | 45.5 | 55% | 0.547 | 23% | 0.233 | S | C | . | . | trans | -101.6 | 128.4 | 178.1 | -62.7 | -171.8 | 165.8 | 170.7 | -4.6 | 111.4 | I108 K122 H128 | I108-R126 HydrophobicContact CD1-CB 4.36Å; K122-R126 WeakPolarHBondContact O-CA 3.31Å; K122-R126 WeakPolarHBondContact O-CB 3.37Å; K122-R126 PolarHBondContact O-N 3.24Å; R126-H128 PolarHBondContact O-ND1 2.94Å | ||
| 127 | K | 64.5 | Low | 80.4 | Confident | 72 Ų | 72 | 45.6 Ų | 45.6 | 31% | 0.313 | 23% | 0.231 | S | C | . | . | trans | -68.3 | 141 | 163.1 | -67.3 | -173.1 | 177.5 | -173.5 | 0 | 108.5 | E106 E469 P488 | E106-K127 WeakPolarHBondContact CB-O 3.05Å; K127-E469 WeakPolarHBondContact CE-OE2 3.37Å; K127-E469 IonicContact NZ-OE1 3.55Å; K127-E469 IonicContact NZ-OE2 2.76Å; K127-E469 PolarHBondContact NZ-OE2 3.46Å; K127-P488 PolarHBondContact NZ-O 3.25Å | ||
| 128 | H | 75.7 | Confident | 80.9 | Confident | 17 Ų | 17 | 41.3 Ų | 41.3 | 8% | 0.079 | 21% | 0.205 | C | C | . | . | trans | -147.2 | 145 | -173.8 | 48.5 | -89.9 | 0 | 0 | 0 | 109.7 | F72 I108 R126 I131 Q152 | F72-H128 AromaticContact CD1-NE2 3.78Å; F72-H128 AromaticContact CE1-NE2 3.99Å; F72-H128 AromaticContact CG-CD2 3.89Å; F72-H128 AromaticContact CG-NE2 4Å; I108-H128 HydrophobicContact CD1-CB 3.67Å; I108-H128 VanDerWaalsContact CD1-ND1 3.25Å; I108-H128 WeakPolarHBondContact CD1-ND1 3.38Å; I108-H128 HydrophobicContact CG1-CB 3.75Å; R126-H128 PolarHBondContact O-ND1 2.94Å; H128-I131 VanDerWaalsContact CD2-CG1 3.46Å; H128-I131 WeakPolarHBondContact CD2-CG1 3.13Å; H128-I131 WeakPolarHBondContact NE2-CD1 3.45Å; H128-Q152 PolarHBondContact CE1-OE1 2.99Å; H128-Q152 PolarHBondContact NE2-OE1 2.86Å | ||
| 129 | H | 82 | Confident | 81.3 | Confident | 12 Ų | 12 | 37.2 Ų | 37.2 | 6% | 0.056 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -95.6 | -27.6 | 175.7 | -53 | 92.5 | 0 | 0 | 0 | 111 | F72 A73 L105 E106 | F72-H129 WeakPolarHBondContact CA-O 3.45Å; F72-H129 WeakPolarHBondContact CB-O 3.4Å; A73-H129 PolarHBondContact N-O 3.46Å; L105-H129 WeakPolarHBondContact CA-ND1 3.46Å; L105-H129 HydrophobicContact CB-CB 4.36Å; L105-H129 HydrophobicContact CD2-CB 4.43Å; E106-H129 PolarHBondContact N-ND1 3.34Å; E106-H129 PolarHBondContact O-N 3.41Å |
| 130 | F | 89.9 | Confident | 81.4 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 138.9 | 177 | -66.9 | -88.3 | 0 | 0 | 0 | 110.8 | L56 I59 I60 A73 I75 A90 L105 E106 V107 I108 | L56-F130 HydrophobicContact CD2-CD1 4.49Å; L56-F130 HydrophobicContact CD2-CE1 3.82Å; L56-F130 HydrophobicContact CD2-CZ 4.2Å; I59-F130 HydrophobicContact CB-CE1 4.45Å; I59-F130 HydrophobicContact CB-CZ 4.45Å; I59-F130 HydrophobicContact CG2-CE1 3.6Å; I59-F130 HydrophobicContact CG2-CZ 3.62Å; I60-F130 HydrophobicContact CG1-CE2 4.22Å; I60-F130 HydrophobicContact CG1-CZ 3.94Å; A73-F130 HydrophobicContact CB-CD1 3.58Å; A73-F130 HydrophobicContact CB-CE1 3.65Å; A73-F130 HydrophobicContact CB-CG 4.48Å; A73-F130 CarbonylContact O-C 3.11Å; A73-F130 WeakPolarHBondContact O-CA 3.31Å; I75-F130 HydrophobicContact CD1-CD1 3.7Å; I75-F130 HydrophobicContact CD1-CE1 4.09Å; I75-F130 HydrophobicContact CG1-CD1 4.35Å; A90-F130 HydrophobicContact CB-CD2 4.48Å; L105-F130 HydrophobicContact CD1-CE2 3.88Å; E106-F130 PolarHBondContact O-N 2.99Å; V107-F130 HydrophobicContact CB-CB 4.34Å; V107-F130 HydrophobicContact CG1-CB 3.97Å; V107-F130 HydrophobicContact CG2-CB 4.08Å; V107-F130 HydrophobicContact CG2-CD2 4.16Å; V107-F130 HydrophobicContact CG2-CG 4.47Å; I108-F130 PolarHBondContact N-O 3.38Å |
| 131 | I | 92 | Very high | 81.8 | Confident | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.01 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 123.3 | 155.3 | -61.4 | -174.6 | 0 | 0 | 0 | 106.5 | F72 A73 L74 I75 I108 L110 L123 H128 A133 | F72-I131 HydrophobicContact CD2-CB 4.15Å; F72-I131 HydrophobicContact CD2-CD1 3.98Å; F72-I131 HydrophobicContact CD2-CG1 3.74Å; F72-I131 HydrophobicContact CE1-CD1 4.35Å; F72-I131 HydrophobicContact CE2-CB 3.97Å; F72-I131 HydrophobicContact CE2-CD1 3.38Å; F72-I131 HydrophobicContact CE2-CG1 3.62Å; F72-I131 HydrophobicContact CZ-CD1 3.6Å; F72-I131 HydrophobicContact CZ-CG1 4.3Å; A73-I131 PolarHBondContact O-N 2.91Å; L74-I131 CarbonylContact C-O 3.54Å; L74-I131 WeakPolarHBondContact CA-O 3.38Å; L74-I131 HydrophobicContact CD1-CB 3.95Å; L74-I131 HydrophobicContact CD1-CG2 3.78Å; I75-I131 PolarHBondContact N-O 3.34Å; I108-I131 CarbonylContact O-C 3.51Å; I108-I131 WeakPolarHBondContact O-CA 3.25Å; L110-I131 HydrophobicContact CD1-CG2 3.61Å; L110-I131 HydrophobicContact CG-CG2 3.96Å; L123-I131 HydrophobicContact CD2-CD1 3.59Å; L123-I131 HydrophobicContact CD2-CG1 4.38Å; H128-I131 VanDerWaalsContact CD2-CG1 3.46Å; H128-I131 WeakPolarHBondContact CD2-CG1 3.13Å; H128-I131 WeakPolarHBondContact NE2-CD1 3.45Å; I131-A133 HydrophobicContact CG2-CB 4.23Å |
| 132 | V | 96.7 | Very high | 82.1 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 124 | 169.1 | -170 | 0 | 0 | 0 | 0 | 107.8 | I75 A83 L86 A87 V107 I108 L109 L110 | I75-V132 HydrophobicContact CB-CG1 4.27Å; I75-V132 HydrophobicContact CB-CG2 4.24Å; I75-V132 HydrophobicContact CD1-CG2 4.2Å; I75-V132 HydrophobicContact CG2-CG1 4.33Å; I75-V132 CarbonylContact O-C 3.52Å; I75-V132 WeakPolarHBondContact O-CA 3.46Å; A83-V132 HydrophobicContact CB-CG1 4.01Å; A83-V132 VanDerWaalsContact O-CG1 3.29Å; A83-V132 WeakPolarHBondContact O-CG1 3.32Å; L86-V132 HydrophobicContact CB-CG1 4Å; A87-V132 HydrophobicContact CB-CB 4.24Å; A87-V132 HydrophobicContact CB-CG2 4.07Å; V107-V132 HydrophobicContact CG1-CG2 3.88Å; I108-V132 PolarHBondContact O-N 2.97Å; L109-V132 CarbonylContact C-O 3.2Å; L109-V132 WeakPolarHBondContact CA-O 3.46Å; L109-V132 HydrophobicContact CD1-CB 4.21Å; L109-V132 HydrophobicContact CD1-CG1 4.37Å; L110-V132 PolarHBondContact N-O 3.08Å |
| 133 | A | 95.3 | Very high | 82.3 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 149.2 | -170.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | L74 I75 L76 A77 L110 I131 L138 | L74-A133 HydrophobicContact CD1-CB 4.33Å; I75-A133 PolarHBondContact O-N 3.25Å; L76-A133 WeakPolarHBondContact CA-O 3.31Å; L76-A133 HydrophobicContact CD2-CB 4.07Å; A77-A133 PolarHBondContact N-O 2.76Å; A77-A133 VanDerWaalsContact N-O 3.12Å; L110-A133 HydrophobicContact CB-CB 3.81Å; L110-A133 HydrophobicContact CD1-CB 4.44Å; L110-A133 VanDerWaalsContact O-CA 3.3Å; L110-A133 WeakPolarHBondContact O-CA 3.39Å; I131-A133 HydrophobicContact CG2-CB 4.23Å; A133-L138 HydrophobicContact CB-CB 4.13Å |
| 134 | T | 94.1 | Very high | 82.4 | Confident | 15 Ų | 15 | 44 Ų | 44 | 9% | 0.092 | 21% | 0.208 | C | C | . | . | trans | -80.1 | 138.4 | 158.9 | 52.9 | 0 | 0 | 0 | 0 | 109.7 | A83 L110 V111 G136 R137 L138 | A83-T134 HydrophobicContact CB-CG2 4.47Å; L110-T134 PolarHBondContact O-N 3.27Å; L110-T134 VanDerWaalsContact O-N 3.07Å; V111-T134 HydrophobicContact CG1-CG2 4.17Å; T134-G136 VanDerWaalsContact C-N 3.34Å; T134-G136 PolarHBondContact O-N 2.61Å; T134-R137 PolarHBondContact O-N 3.46Å; T134-R137 WeakPolarHBondContact OG1-CB 3.27Å; T134-L138 PolarHBondContact O-N 3.41Å; T134-L138 VanDerWaalsContact O-N 3.12Å | ||
| 135 | P | 91.9 | Very high | 82.3 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -52.1 | -47.2 | -175.8 | -29 | 33.8 | 0 | 0 | 0 | 113.9 | A77 R137 L138 I139 M167 F172 D175 | A77-P135 VanDerWaalsContact O-CD 3.3Å; A77-P135 WeakPolarHBondContact O-CD 3.48Å; P135-R137 PolarHBondContact O-N 2.78Å; P135-L138 PolarHBondContact O-N 2.77Å; P135-I139 WeakPolarHBondContact O-CG1 3.34Å; P135-I139 PolarHBondContact O-N 2.66Å; P135-M167 HydrophobicContact CG-SD 3.94Å; P135-F172 HydrophobicContact CB-CB 4.06Å; P135-F172 HydrophobicContact CB-CD1 4.14Å; P135-F172 HydrophobicContact CB-CG 4.17Å; P135-F172 HydrophobicContact CG-CB 4.16Å; P135-F172 HydrophobicContact CG-CG 4.21Å; P135-D175 HydrophobicContact CB-CB 4.3Å |
| 136 | G | 89.9 | Confident | 82.3 | Confident | 20 Ų | 20 | 41.3 Ų | 41.3 | 21% | 0.206 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.4 | -47.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | T134 L138 I139 D140 | T134-G136 VanDerWaalsContact C-N 3.34Å; T134-G136 PolarHBondContact O-N 2.61Å; G136-L138 PolarHBondContact O-N 2.8Å; G136-I139 PolarHBondContact O-N 2.9Å; G136-D140 PolarHBondContact O-N 3.48Å |
| 137 | R | 91.2 | Very high | 82 | Confident | 33 Ų | 33 | 37.9 Ų | 37.9 | 13% | 0.125 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.5 | -38.8 | 179.6 | -179.7 | 63.4 | 90.5 | -171.9 | 19.4 | 112.2 | L110 V111 G113 E114 T134 P135 I139 D140 H141 | L110-R137 HydrophobicContact CB-CG 4.29Å; V111-R137 PolarHBondContact O-NE 2.83Å; V111-R137 PolarHBondContact O-NH2 2.96Å; G113-R137 VanDerWaalsContact N-NH2 3.19Å; E114-R137 PolarHBondContact O-NH2 3.47Å; T134-R137 PolarHBondContact O-N 3.46Å; T134-R137 WeakPolarHBondContact OG1-CB 3.27Å; P135-R137 PolarHBondContact O-N 2.78Å; R137-I139 VanDerWaalsContact C-N 3.35Å; R137-D140 PolarHBondContact O-N 2.88Å; R137-H141 PolarHBondContact O-CD2 2.68Å; R137-H141 PolarHBondContact O-N 3.2Å |
| 138 | L | 90.3 | Very high | 81.6 | Confident | 2 Ų | 2 | 35.2 Ų | 35.2 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.4 | -47.3 | 175.7 | 178.7 | 62.4 | 0 | 0 | 0 | 110.7 | L74 L76 L110 A133 T134 P135 G136 D140 H141 L142 F148 I179 | L74-L138 HydrophobicContact CD1-CD2 4.07Å; L74-L138 HydrophobicContact CD2-CD2 3.6Å; L74-L138 HydrophobicContact CG-CD2 4.46Å; L76-L138 HydrophobicContact CD2-CD2 3.87Å; L110-L138 HydrophobicContact CD1-CD1 4.19Å; A133-L138 HydrophobicContact CB-CB 4.13Å; T134-L138 PolarHBondContact O-N 3.41Å; T134-L138 VanDerWaalsContact O-N 3.12Å; P135-L138 PolarHBondContact O-N 2.77Å; G136-L138 PolarHBondContact O-N 2.8Å; L138-D140 VanDerWaalsContact C-N 3.28Å; L138-D140 PolarHBondContact O-N 3.17Å; L138-H141 WeakPolarHBondContact O-CB 3.38Å; L138-H141 PolarHBondContact O-N 3.04Å; L138-H141 VanDerWaalsContact O-N 3.17Å; L138-L142 WeakPolarHBondContact O-CG 3.37Å; L138-L142 PolarHBondContact O-N 2.75Å; L138-F148 HydrophobicContact CD1-CE1 4.48Å; L138-I179 HydrophobicContact CD2-CD1 3.79Å; L138-I179 HydrophobicContact CD2-CG1 4.41Å |
| 139 | I | 87 | Confident | 80.6 | Confident | 7 Ų | 7 | 35 Ų | 35 | 4% | 0.036 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.4 | -38.2 | 177.4 | -69.8 | -57.2 | 0 | 0 | 0 | 112 | P135 G136 R137 H141 L142 K143 D175 K178 I179 | P135-I139 WeakPolarHBondContact O-CG1 3.34Å; P135-I139 PolarHBondContact O-N 2.66Å; G136-I139 PolarHBondContact O-N 2.9Å; R137-I139 VanDerWaalsContact C-N 3.35Å; I139-H141 VanDerWaalsContact C-N 3.34Å; I139-H141 PolarHBondContact O-N 2.61Å; I139-L142 HydrophobicContact CD1-CD1 3.82Å; I139-L142 WeakPolarHBondContact O-CB 3.45Å; I139-L142 PolarHBondContact O-N 3.06Å; I139-K143 HydrophobicContact CG2-CD 4.05Å; I139-K143 VanDerWaalsContact CG2-CE 3.43Å; I139-K143 HydrophobicContact CG2-CG 4.33Å; I139-K143 WeakPolarHBondContact O-CG 3.48Å; I139-K143 PolarHBondContact O-N 3.46Å; I139-D175 HydrophobicContact CD1-CB 4.48Å; I139-D175 HydrophobicContact CG1-CB 3.74Å; I139-K178 HydrophobicContact CD1-CB 4.18Å; I139-I179 HydrophobicContact CD1-CD1 4.14Å; I139-I179 HydrophobicContact CD1-CG1 3.78Å |
| 140 | D | 86.6 | Confident | 79.2 | Confident | 62 Ų | 62 | 37 Ų | 37 | 33% | 0.332 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -60.2 | -44.8 | 176.2 | -69.9 | -20.5 | 0 | 0 | 0 | 111.7 | M116 G136 R137 L138 L142 K143 Q144 | M116-D140 HydrophobicContact CE-CB 3.66Å; G136-D140 PolarHBondContact O-N 3.48Å; R137-D140 PolarHBondContact O-N 2.88Å; L138-D140 VanDerWaalsContact C-N 3.28Å; L138-D140 PolarHBondContact O-N 3.17Å; D140-L142 VanDerWaalsContact C-N 3.35Å; D140-L142 PolarHBondContact O-N 3.21Å; D140-K143 PolarHBondContact O-N 3.08Å; D140-Q144 WeakPolarHBondContact O-CG 3.27Å; D140-Q144 PolarHBondContact O-N 3.02Å; D140-Q144 VanDerWaalsContact O-N 3.07Å |
| 141 | H | 83.7 | Confident | 77.5 | Confident | 3 Ų | 3 | 41.9 Ų | 41.9 | 1% | 0.014 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.8 | -44.2 | 173.1 | -79.7 | -69.1 | 0 | 0 | 0 | 111.5 | M116 Q119 R137 L138 I139 K143 Q144 S145 | M116-H141 PolarHBondContact SD-CE1 2.6Å; M116-H141 PolarHBondContact SD-NE2 2.79Å; M116-H141 VanDerWaalsContact SD-NE2 3.4Å; Q119-H141 WeakPolarHBondContact CB-NE2 3.31Å; Q119-H141 PolarHBondContact OE1-NE2 2.93Å; R137-H141 PolarHBondContact O-CD2 2.68Å; R137-H141 PolarHBondContact O-N 3.2Å; L138-H141 WeakPolarHBondContact O-CB 3.38Å; L138-H141 PolarHBondContact O-N 3.04Å; L138-H141 VanDerWaalsContact O-N 3.17Å; I139-H141 VanDerWaalsContact C-N 3.34Å; I139-H141 PolarHBondContact O-N 2.61Å; H141-K143 VanDerWaalsContact C-N 3.32Å; H141-K143 PolarHBondContact O-N 3.39Å; H141-Q144 PolarHBondContact O-N 3.4Å; H141-S145 PolarHBondContact O-N 3.47Å; H141-S145 PolarHBondContact O-OG 2.96Å |
| 142 | L | 79.1 | Confident | 76.1 | Confident | 27 Ų | 27 | 43.1 Ų | 43.1 | 14% | 0.141 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.2 | -40.9 | 177 | -59.3 | -171.2 | 0 | 0 | 0 | 112.8 | L138 I139 D140 F148 L153 | L138-L142 WeakPolarHBondContact O-CG 3.37Å; L138-L142 PolarHBondContact O-N 2.75Å; I139-L142 HydrophobicContact CD1-CD1 3.82Å; I139-L142 WeakPolarHBondContact O-CB 3.45Å; I139-L142 PolarHBondContact O-N 3.06Å; D140-L142 VanDerWaalsContact C-N 3.35Å; D140-L142 PolarHBondContact O-N 3.21Å; L142-F148 HydrophobicContact CD2-CD1 3.28Å; L142-F148 HydrophobicContact CD2-CE1 3.48Å; L142-F148 VanDerWaalsContact CD2-CE1 3.48Å; L142-F148 HydrophobicContact CD2-CG 4.45Å; L142-L153 HydrophobicContact CD1-CD1 3.71Å; L142-L153 HydrophobicContact CD2-CD1 3.5Å; L142-L153 VanDerWaalsContact CD2-CD1 3.5Å; L142-L153 HydrophobicContact CD2-CD2 4.23Å; L142-L153 HydrophobicContact CD2-CG 3.96Å; L142-L153 HydrophobicContact CG-CD1 4.25Å |
| 143 | K | 80 | Confident | 74.7 | Confident | 118 Ų | 118 | 43.2 Ų | 43.2 | 51% | 0.513 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -69.9 | -39.5 | -179.2 | -74 | 171.2 | -177.5 | 162.9 | 0 | 112.3 | I139 D140 H141 S145 | I139-K143 HydrophobicContact CG2-CD 4.05Å; I139-K143 VanDerWaalsContact CG2-CE 3.43Å; I139-K143 HydrophobicContact CG2-CG 4.33Å; I139-K143 WeakPolarHBondContact O-CG 3.48Å; I139-K143 PolarHBondContact O-N 3.46Å; D140-K143 PolarHBondContact O-N 3.08Å; H141-K143 VanDerWaalsContact C-N 3.32Å; H141-K143 PolarHBondContact O-N 3.39Å; K143-S145 VanDerWaalsContact C-N 3.29Å; K143-S145 PolarHBondContact O-N 3.14Å |
| 144 | Q | 74 | Confident | 73.2 | Confident | 131 Ų | 131 | 44.6 Ų | 44.6 | 61% | 0.612 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -72.6 | -25.7 | -177.4 | -71.7 | -178.8 | 1.4 | 0 | 0 | 112.6 | D140 H141 | D140-Q144 WeakPolarHBondContact O-CG 3.27Å; D140-Q144 PolarHBondContact O-N 3.02Å; D140-Q144 VanDerWaalsContact O-N 3.07Å; H141-Q144 PolarHBondContact O-N 3.4Å |
| 145 | S | 64.2 | Low | 72 | Confident | 38 Ų | 38 | 45.5 Ų | 45.5 | 27% | 0.266 | 24% | 0.24 | S | C | . | . | trans | -126.1 | 92.2 | -173.1 | 54.3 | 0 | 0 | 0 | 0 | 111.2 | H141 K143 N147 F148 | H141-S145 PolarHBondContact O-N 3.47Å; H141-S145 PolarHBondContact O-OG 2.96Å; K143-S145 VanDerWaalsContact C-N 3.29Å; K143-S145 PolarHBondContact O-N 3.14Å; S145-N147 PolarHBondContact O-N 2.86Å; S145-F148 VanDerWaalsContact O-CB 3.24Å; S145-F148 WeakPolarHBondContact O-CB 3.36Å; S145-F148 PolarHBondContact O-N 3.49Å; S145-F148 WeakPolarHBondContact OG-CB 3.5Å; S145-F148 WeakPolarHBondContact OG-CG 3.44Å | ||
| 146 | Q | 57.1 | Low | 71.5 | Confident | 164 Ų | 164 | 45.9 Ų | 45.9 | 77% | 0.766 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | -29.8 | -179.1 | -71.1 | -172.9 | -7 | 0 | 0 | 113.9 | ||
| 147 | N | 56.7 | Low | 71.1 | Confident | 73 Ų | 73 | 48.4 Ų | 48.4 | 39% | 0.39 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -11.1 | 179.8 | -59.6 | -52.1 | 0 | 0 | 0 | 113.6 | S145 A150 Q151 R459 | S145-N147 PolarHBondContact O-N 2.86Å; N147-A150 PolarHBondContact O-N 2.63Å; N147-Q151 WeakPolarHBondContact O-CB 3.35Å; N147-Q151 VanDerWaalsContact O-CG 3.29Å; N147-Q151 WeakPolarHBondContact O-CG 3.28Å; N147-Q151 PolarHBondContact O-N 2.93Å; N147-R459 PolarHBondContact ND2-NH2 3.33Å; N147-R459 PolarHBondContact OD1-NH2 3.3Å |
| 148 | F | 56.6 | Low | 71 | Confident | 16 Ų | 16 | 46.9 Ų | 46.9 | 7% | 0.07 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.7 | -40.8 | -175.1 | 179.2 | -76.6 | 0 | 0 | 0 | 112.1 | L123 L138 L142 S145 A150 Q151 Q152 | L123-F148 HydrophobicContact CB-CE2 3.86Å; L123-F148 HydrophobicContact CD1-CE2 3.53Å; L123-F148 HydrophobicContact CD1-CZ 3.79Å; L123-F148 HydrophobicContact CD2-CE2 4.29Å; L123-F148 HydrophobicContact CD2-CZ 4.22Å; L123-F148 HydrophobicContact CG-CE2 4.08Å; L123-F148 HydrophobicContact CG-CZ 4.41Å; L138-F148 HydrophobicContact CD1-CE1 4.48Å; L142-F148 HydrophobicContact CD2-CD1 3.28Å; L142-F148 HydrophobicContact CD2-CE1 3.48Å; L142-F148 VanDerWaalsContact CD2-CE1 3.48Å; L142-F148 HydrophobicContact CD2-CG 4.45Å; S145-F148 VanDerWaalsContact O-CB 3.24Å; S145-F148 WeakPolarHBondContact O-CB 3.36Å; S145-F148 PolarHBondContact O-N 3.49Å; S145-F148 WeakPolarHBondContact OG-CB 3.5Å; S145-F148 WeakPolarHBondContact OG-CG 3.44Å; F148-A150 PolarHBondContact O-N 2.94Å; F148-Q151 PolarHBondContact O-N 3.42Å; F148-Q151 VanDerWaalsContact O-N 3.09Å; F148-Q152 HydrophobicContact CD1-CB 4.01Å; F148-Q152 HydrophobicContact CD1-CG 4.11Å; F148-Q152 HydrophobicContact CD2-CG 3.83Å; F148-Q152 HydrophobicContact CE1-CB 3.79Å; F148-Q152 HydrophobicContact CE1-CG 3.98Å; F148-Q152 HydrophobicContact CE2-CB 4.38Å; F148-Q152 HydrophobicContact CE2-CG 3.66Å; F148-Q152 HydrophobicContact CG-CB 4.42Å; F148-Q152 HydrophobicContact CG-CG 4.05Å; F148-Q152 HydrophobicContact CZ-CB 3.98Å; F148-Q152 HydrophobicContact CZ-CG 3.74Å; F148-Q152 WeakPolarHBondContact O-CB 3.47Å; F148-Q152 PolarHBondContact O-N 3.27Å |
| 149 | A | 53.9 | Low | 71.2 | Confident | 11 Ų | 11 | 46.9 Ų | 46.9 | 9% | 0.091 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -55.8 | -43.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q151 L153 S154 | A149-Q151 VanDerWaalsContact C-N 3.34Å; A149-Q151 PolarHBondContact O-N 3.01Å; A149-L153 HydrophobicContact CB-CD1 4Å; A149-L153 WeakPolarHBondContact O-CB 3.34Å; A149-L153 PolarHBondContact O-N 3.19Å; A149-L153 VanDerWaalsContact O-N 3.12Å; A149-S154 PolarHBondContact O-N 3.47Å |
| 150 | A | 53.5 | Low | 71.6 | Confident | 55 Ų | 55 | 46.5 Ų | 46.5 | 46% | 0.455 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -74.3 | -18.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | N147 F148 S154 Y230 | N147-A150 PolarHBondContact O-N 2.63Å; F148-A150 PolarHBondContact O-N 2.94Å; A150-S154 PolarHBondContact O-OG 2.89Å; A150-S154 VanDerWaalsContact O-OG 3.11Å; A150-Y230 VanDerWaalsContact CA-OH 3.24Å; A150-Y230 WeakPolarHBondContact CA-OH 3.34Å |
| 151 | Q | 54.2 | Low | 72 | Confident | 102 Ų | 102 | 43.6 Ų | 43.6 | 48% | 0.477 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -100 | -34.5 | -178.8 | -75.2 | 179.7 | -27.5 | 0 | 0 | 113.2 | N147 F148 A149 N155 | N147-Q151 WeakPolarHBondContact O-CB 3.35Å; N147-Q151 VanDerWaalsContact O-CG 3.29Å; N147-Q151 WeakPolarHBondContact O-CG 3.28Å; N147-Q151 PolarHBondContact O-N 2.93Å; F148-Q151 PolarHBondContact O-N 3.42Å; F148-Q151 VanDerWaalsContact O-N 3.09Å; A149-Q151 VanDerWaalsContact C-N 3.34Å; A149-Q151 PolarHBondContact O-N 3.01Å; Q151-N155 PolarHBondContact O-ND2 3.11Å |
| 152 | Q | 62.5 | Low | 72.6 | Confident | 29 Ų | 29 | 43.7 Ų | 43.7 | 14% | 0.136 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | -55.6 | -173.9 | -61.2 | -65.2 | -24 | 0 | 0 | 110.3 | F72 L123 H128 F148 S154 N155 | F72-Q152 HydrophobicContact CE1-CB 4.31Å; F72-Q152 WeakPolarHBondContact CE1-O 3.49Å; F72-Q152 HydrophobicContact CZ-CB 4.38Å; L123-Q152 PolarHBondContact O-NE2 2.97Å; H128-Q152 PolarHBondContact CE1-OE1 2.99Å; H128-Q152 PolarHBondContact NE2-OE1 2.86Å; F148-Q152 HydrophobicContact CD1-CB 4.01Å; F148-Q152 HydrophobicContact CD1-CG 4.11Å; F148-Q152 HydrophobicContact CD2-CG 3.83Å; F148-Q152 HydrophobicContact CE1-CB 3.79Å; F148-Q152 HydrophobicContact CE1-CG 3.98Å; F148-Q152 HydrophobicContact CE2-CB 4.38Å; F148-Q152 HydrophobicContact CE2-CG 3.66Å; F148-Q152 HydrophobicContact CG-CB 4.42Å; F148-Q152 HydrophobicContact CG-CG 4.05Å; F148-Q152 HydrophobicContact CZ-CB 3.98Å; F148-Q152 HydrophobicContact CZ-CG 3.74Å; F148-Q152 WeakPolarHBondContact O-CB 3.47Å; F148-Q152 PolarHBondContact O-N 3.27Å; Q152-S154 VanDerWaalsContact C-N 3.27Å; Q152-S154 PolarHBondContact O-N 3.19Å; Q152-N155 WeakPolarHBondContact O-CB 3.34Å; Q152-N155 PolarHBondContact O-N 2.97Å |
| 153 | L | 66.2 | Low | 73.2 | Confident | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -69.1 | -26.4 | -171.3 | -57 | -178.4 | 0 | 0 | 0 | 113.5 | L142 A149 N155 I156 L182 Y183 | L142-L153 HydrophobicContact CD1-CD1 3.71Å; L142-L153 HydrophobicContact CD2-CD1 3.5Å; L142-L153 VanDerWaalsContact CD2-CD1 3.5Å; L142-L153 HydrophobicContact CD2-CD2 4.23Å; L142-L153 HydrophobicContact CD2-CG 3.96Å; L142-L153 HydrophobicContact CG-CD1 4.25Å; A149-L153 HydrophobicContact CB-CD1 4Å; A149-L153 WeakPolarHBondContact O-CB 3.34Å; A149-L153 PolarHBondContact O-N 3.19Å; A149-L153 VanDerWaalsContact O-N 3.12Å; L153-N155 PolarHBondContact O-N 3.45Å; L153-I156 HydrophobicContact CB-CD1 4.41Å; L153-I156 HydrophobicContact CD2-CD1 3.49Å; L153-I156 VanDerWaalsContact CD2-CD1 3.49Å; L153-I156 PolarHBondContact O-N 2.86Å; L153-L182 HydrophobicContact CD1-CD1 3.23Å; L153-Y183 WeakPolarHBondContact O-CE1 3.31Å; L153-Y183 PolarHBondContact O-OH 2.97Å |
| 154 | S | 64.6 | Low | 73.7 | Confident | 30 Ų | 30 | 38.2 Ų | 38.2 | 21% | 0.21 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -60.1 | -22.9 | 170.6 | 61.9 | 0 | 0 | 0 | 0 | 113.6 | A149 A150 Q152 Y230 | A149-S154 PolarHBondContact O-N 3.47Å; A150-S154 PolarHBondContact O-OG 2.89Å; A150-S154 VanDerWaalsContact O-OG 3.11Å; Q152-S154 VanDerWaalsContact C-N 3.27Å; Q152-S154 PolarHBondContact O-N 3.19Å; S154-Y230 VanDerWaalsContact CB-CD1 3.41Å; S154-Y230 VanDerWaalsContact CB-CE1 3.44Å |
| 155 | N | 70 | Confident | 74.4 | Confident | 34 Ų | 34 | 32.7 Ų | 32.7 | 18% | 0.182 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -104.1 | 6 | -173.1 | -59.6 | -10.6 | 0 | 0 | 0 | 111.7 | G71 F72 Q151 Q152 L153 H157 | G71-N155 CarbonylContact C-O 3.54Å; G71-N155 WeakPolarHBondContact CA-O 3.36Å; F72-N155 HydrophobicContact CE1-CB 4.47Å; F72-N155 PolarHBondContact N-O 3.05Å; F72-N155 VanDerWaalsContact N-O 3.09Å; Q151-N155 PolarHBondContact O-ND2 3.11Å; Q152-N155 WeakPolarHBondContact O-CB 3.34Å; Q152-N155 PolarHBondContact O-N 2.97Å; L153-N155 PolarHBondContact O-N 3.45Å; N155-H157 PolarHBondContact O-N 2.96Å; N155-H157 PolarHBondContact O-ND1 2.95Å |
| 156 | I | 79.5 | Confident | 75.6 | Confident | 8 Ų | 8 | 36 Ų | 36 | 4% | 0.041 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 120.8 | 173.5 | -70.8 | 174.8 | 0 | 0 | 0 | 108.8 | F72 L74 L153 H158 L159 Y183 P233 | F72-I156 HydrophobicContact CD2-CG1 4.24Å; F72-I156 HydrophobicContact CE1-CG1 3.98Å; F72-I156 HydrophobicContact CE2-CD1 3.93Å; F72-I156 HydrophobicContact CE2-CG1 3.49Å; F72-I156 VanDerWaalsContact CE2-CG1 3.49Å; F72-I156 HydrophobicContact CZ-CD1 3.84Å; F72-I156 HydrophobicContact CZ-CG1 3.34Å; L74-I156 HydrophobicContact CB-CD1 3.72Å; L74-I156 HydrophobicContact CB-CG1 4.2Å; L74-I156 HydrophobicContact CB-CG2 4.29Å; L74-I156 HydrophobicContact CD2-CD1 3.55Å; L74-I156 HydrophobicContact CG-CD1 4.24Å; L153-I156 HydrophobicContact CB-CD1 4.41Å; L153-I156 HydrophobicContact CD2-CD1 3.49Å; L153-I156 VanDerWaalsContact CD2-CD1 3.49Å; L153-I156 PolarHBondContact O-N 2.86Å; I156-H158 WeakPolarHBondContact CG2-O 3.47Å; I156-L159 HydrophobicContact CG2-CB 4.36Å; I156-Y183 HydrophobicContact CB-CE1 4.48Å; I156-Y183 WeakPolarHBondContact CB-OH 3.37Å; I156-Y183 WeakPolarHBondContact CD1-OH 3.28Å; I156-P233 HydrophobicContact CG2-CB 3.99Å; I156-P233 HydrophobicContact CG2-CG 4.26Å |
| 157 | H | 81.8 | Confident | 77.1 | Confident | 72 Ų | 72 | 28.2 Ų | 28.2 | 33% | 0.333 | 15% | 0.146 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | -33.2 | 176.5 | -78.8 | 57.6 | 0 | 0 | 0 | 112 | W63 V70 F72 N155 P233 Q234 | W63-H157 HydrophobicContact CH2-CB 3.85Å; W63-H157 HydrophobicContact CZ2-CB 4.39Å; V70-H157 PolarHBondContact O-CE1 3.47Å; V70-H157 PolarHBondContact O-ND1 3.36Å; V70-H157 PolarHBondContact O-NE2 2.89Å; F72-H157 PolarHBondContact O-N 3.33Å; N155-H157 PolarHBondContact O-N 2.96Å; N155-H157 PolarHBondContact O-ND1 2.95Å; H157-P233 WeakPolarHBondContact O-CA 3.28Å; H157-P233 WeakPolarHBondContact O-CB 3.5Å; H157-Q234 PolarHBondContact O-N 3.42Å |
| 158 | H | 90.3 | Very high | 78.5 | Confident | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.009 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 132.8 | 176.6 | -55.2 | -80.8 | 0 | 0 | 0 | 109.9 | I59 H62 W63 A73 L74 I156 Q234 Y236 | I59-H158 HydrophobicContact CD1-CB 3.95Å; I59-H158 HydrophobicContact CG1-CB 4.1Å; H62-H158 AromaticContact CD2-CE1 4Å; H62-H158 AromaticContact CD2-NE2 3.25Å; H62-H158 PolarHBondContact CD2-NE2 3.05Å; H62-H158 AromaticContact CE1-NE2 3.95Å; H62-H158 AromaticContact CG-CE1 3.82Å; H62-H158 AromaticContact CG-NE2 3.44Å; H62-H158 AromaticContact ND1-CE1 3.88Å; H62-H158 AromaticContact ND1-NE2 3.88Å; H62-H158 AromaticContact NE2-NE2 3.64Å; W63-H158 AromaticContact CZ2-CD2 3.69Å; A73-H158 CarbonylContact C-O 3.53Å; A73-H158 VanDerWaalsContact CA-O 3.3Å; A73-H158 WeakPolarHBondContact CA-O 3.49Å; A73-H158 HydrophobicContact CB-CB 3.85Å; L74-H158 PolarHBondContact N-O 3.48Å; I156-H158 WeakPolarHBondContact CG2-O 3.47Å; H158-Q234 CarbonylContact C-O 3.58Å; H158-Q234 WeakPolarHBondContact CA-O 3.35Å; H158-Q234 PolarHBondContact CE1-OE1 3.12Å; H158-Q234 VanDerWaalsContact CE1-OE1 3.28Å; H158-Q234 PolarHBondContact ND1-OE1 3.26Å; H158-Y236 HydrophobicContact CB-CE2 4.16Å; H158-Y236 AromaticContact ND1-CE2 3.8Å |
| 159 | L | 93.6 | Very high | 79.7 | Confident | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 118.6 | 174.7 | 176 | 61.2 | 0 | 0 | 0 | 109.4 | L74 L76 I156 L161 L180 P233 Q234 I235 Y236 | L74-L159 HydrophobicContact CB-CD1 4.05Å; L74-L159 HydrophobicContact CD2-CD1 3.82Å; L74-L159 HydrophobicContact CG-CD1 3.93Å; L74-L159 CarbonylContact O-C 3.55Å; L74-L159 WeakPolarHBondContact O-CA 3.39Å; L76-L159 HydrophobicContact CD1-CD1 4.42Å; L76-L159 HydrophobicContact CG-CD1 4.47Å; I156-L159 HydrophobicContact CG2-CB 4.36Å; L159-L161 HydrophobicContact CD1-CD2 4.4Å; L159-L161 HydrophobicContact CG-CD2 4.49Å; L159-L180 HydrophobicContact CD2-CD2 3.61Å; L159-P233 HydrophobicContact CB-CG 4.09Å; L159-Q234 PolarHBondContact N-O 2.78Å; L159-I235 HydrophobicContact CB-CG1 4.32Å; L159-I235 HydrophobicContact CD2-CD1 4.31Å; L159-I235 CarbonylContact O-C 3.58Å; L159-I235 VanDerWaalsContact O-CA 3.3Å; L159-I235 WeakPolarHBondContact O-CA 3.36Å; L159-Y236 PolarHBondContact O-N 2.93Å |
| 160 | V | 96.5 | Very high | 80.4 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 129.4 | 178.1 | -174 | 0 | 0 | 0 | 0 | 109.3 | F55 I59 L74 I75 L76 Y236 | F55-V160 HydrophobicContact CB-CG2 4.48Å; F55-V160 HydrophobicContact CD1-CG1 3.99Å; F55-V160 HydrophobicContact CD2-CB 4.49Å; F55-V160 HydrophobicContact CD2-CG1 3.87Å; F55-V160 HydrophobicContact CD2-CG2 3.94Å; F55-V160 HydrophobicContact CE1-CG1 4.06Å; F55-V160 HydrophobicContact CE2-CG1 3.96Å; F55-V160 HydrophobicContact CE2-CG2 4.49Å; F55-V160 HydrophobicContact CG-CG1 3.9Å; F55-V160 HydrophobicContact CG-CG2 4.32Å; F55-V160 HydrophobicContact CZ-CG1 4.04Å; I59-V160 HydrophobicContact CD1-CG2 3.74Å; L74-V160 PolarHBondContact O-N 3.5Å; I75-V160 HydrophobicContact CB-CB 4.27Å; I75-V160 HydrophobicContact CG1-CB 4Å; I75-V160 HydrophobicContact CG1-CG2 3.99Å; I75-V160 HydrophobicContact CG2-CB 4.11Å; I75-V160 HydrophobicContact CG2-CG1 4.24Å; L76-V160 PolarHBondContact N-O 2.91Å; V160-Y236 CarbonylContact C-O 3.51Å; V160-Y236 WeakPolarHBondContact CA-O 3.31Å; V160-Y236 HydrophobicContact CG2-CD2 3.92Å; V160-Y236 HydrophobicContact CG2-CG 4.21Å |
| 161 | L | 95 | Very high | 81.3 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 98.6 | 171.2 | -57.3 | -178.3 | 0 | 0 | 0 | 107.8 | L76 L159 A164 M167 Y236 L237 Y238 L249 | L76-L161 HydrophobicContact CB-CD2 3.94Å; L76-L161 HydrophobicContact CD1-CD2 3.65Å; L76-L161 HydrophobicContact CG-CD2 4.13Å; L159-L161 HydrophobicContact CD1-CD2 4.4Å; L159-L161 HydrophobicContact CG-CD2 4.49Å; L161-A164 HydrophobicContact CB-CB 4.44Å; L161-M167 HydrophobicContact CB-CE 3.77Å; L161-M167 HydrophobicContact CD2-CE 4.2Å; L161-Y236 PolarHBondContact N-O 3.41Å; L161-L237 HydrophobicContact CD1-CD1 4.5Å; L161-Y238 PolarHBondContact O-N 3.14Å; L161-L249 HydrophobicContact CD1-CD2 3.93Å |
| 162 | D | 94.7 | Very high | 82.6 | Confident | 5 Ų | 5 | 32.2 Ų | 32.2 | 3% | 0.027 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | 142.3 | 178.3 | -163.2 | 16.7 | 0 | 0 | 0 | 110.9 | L76 P78 L86 A164 M167 | L76-D162 PolarHBondContact O-N 2.92Å; P78-D162 WeakPolarHBondContact CD-O 3.46Å; L86-D162 HydrophobicContact CD1-CB 4.3Å; D162-A164 VanDerWaalsContact C-N 3.34Å; D162-A164 PolarHBondContact O-N 3.01Å; D162-M167 VanDerWaalsContact O-CE 3.24Å; D162-M167 WeakPolarHBondContact O-CE 3.22Å |
| 163 | E | 92.6 | Very high | 83.5 | Confident | 29 Ų | 29 | 32.2 Ų | 32.2 | 14% | 0.136 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.6 | 50.5 | -168.7 | -64.8 | -170.9 | -172.4 | 0 | 0 | 112.9 | P78 L82 D165 R166 M167 Y238 | P78-E163 HydrophobicContact CG-CB 3.77Å; L82-E163 HydrophobicContact CD2-CB 4.34Å; L82-E163 HydrophobicContact CD2-CG 3.85Å; E163-D165 VanDerWaalsContact C-N 3.33Å; E163-D165 PolarHBondContact O-N 3.36Å; E163-R166 HydrophobicContact CB-CB 4.15Å; E163-R166 WeakPolarHBondContact O-CB 3.42Å; E163-R166 PolarHBondContact O-N 3.47Å; E163-R166 VanDerWaalsContact O-N 3.08Å; E163-R166 WeakPolarHBondContact OE2-CD 3.09Å; E163-R166 IonicContact OE2-CZ 3.66Å; E163-R166 IonicContact OE2-NE 3.7Å; E163-R166 IonicContact OE2-NH1 2.77Å; E163-R166 PolarHBondContact OE2-NH1 2.85Å; E163-M167 PolarHBondContact O-N 2.73Å; E163-Y238 PolarHBondContact N-O 3.36Å |
| 164 | A | 90.5 | Very high | 84.3 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60 | -36.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | L161 D162 R166 M167 L168 L237 Y238 L249 | L161-A164 HydrophobicContact CB-CB 4.44Å; D162-A164 VanDerWaalsContact C-N 3.34Å; D162-A164 PolarHBondContact O-N 3.01Å; A164-R166 VanDerWaalsContact C-N 3.33Å; A164-R166 PolarHBondContact O-N 3.39Å; A164-M167 HydrophobicContact CB-CE 4.41Å; A164-M167 PolarHBondContact O-N 3.28Å; A164-L168 VanDerWaalsContact O-CG 3.28Å; A164-L168 WeakPolarHBondContact O-CG 3.31Å; A164-L168 PolarHBondContact O-N 3.48Å; A164-L237 HydrophobicContact CB-CD2 3.94Å; A164-L237 HydrophobicContact CB-CG 4.07Å; A164-Y238 PolarHBondContact N-O 3.25Å; A164-L249 HydrophobicContact CB-CD2 4.43Å |
| 165 | D | 89.3 | Confident | 85.3 | Confident | 15 Ų | 15 | 37.2 Ų | 37.2 | 8% | 0.08 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -56.7 | -46.8 | 172.6 | 48.2 | 0.5 | 0 | 0 | 0 | 112 | E163 L168 N169 S239 A240 T241 T243 V246 | E163-D165 VanDerWaalsContact C-N 3.33Å; E163-D165 PolarHBondContact O-N 3.36Å; D165-L168 PolarHBondContact O-N 3.03Å; D165-N169 VanDerWaalsContact O-CG 3.26Å; D165-N169 PolarHBondContact O-N 2.73Å; D165-N169 VanDerWaalsContact O-N 3.14Å; D165-N169 PolarHBondContact O-ND2 3.26Å; D165-S239 VanDerWaalsContact CB-OG 3.26Å; D165-S239 WeakPolarHBondContact CB-OG 3.02Å; D165-S239 PolarHBondContact N-OG 2.96Å; D165-S239 PolarHBondContact OD1-OG 3.37Å; D165-S239 PolarHBondContact OD2-OG 2.81Å; D165-A240 PolarHBondContact OD2-N 3.48Å; D165-T241 PolarHBondContact OD2-N 2.98Å; D165-T241 PolarHBondContact OD2-OG1 3.33Å; D165-T243 HydrophobicContact CB-CG2 4.25Å; D165-V246 HydrophobicContact CB-CG2 3.83Å |
| 166 | R | 89.1 | Confident | 86.1 | Confident | 109 Ų | 109 | 35.6 Ų | 35.6 | 41% | 0.411 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -66.5 | -43.3 | 178.9 | -165 | 177 | -178.8 | -173.8 | 1.7 | 111.9 | P78 E163 A164 L168 N169 M170 | P78-R166 HydrophobicContact CB-CB 4.38Å; P78-R166 HydrophobicContact CB-CG 4.18Å; P78-R166 HydrophobicContact CG-CB 4.36Å; P78-R166 HydrophobicContact CG-CG 4.36Å; E163-R166 HydrophobicContact CB-CB 4.15Å; E163-R166 WeakPolarHBondContact O-CB 3.42Å; E163-R166 PolarHBondContact O-N 3.47Å; E163-R166 VanDerWaalsContact O-N 3.08Å; E163-R166 WeakPolarHBondContact OE2-CD 3.09Å; E163-R166 IonicContact OE2-CZ 3.66Å; E163-R166 IonicContact OE2-NE 3.7Å; E163-R166 IonicContact OE2-NH1 2.77Å; E163-R166 PolarHBondContact OE2-NH1 2.85Å; A164-R166 VanDerWaalsContact C-N 3.33Å; A164-R166 PolarHBondContact O-N 3.39Å; R166-L168 VanDerWaalsContact C-N 3.3Å; R166-L168 PolarHBondContact O-N 2.92Å; R166-N169 PolarHBondContact O-N 3.49Å; R166-M170 HydrophobicContact CG-CG 4.4Å; R166-M170 HydrophobicContact CG-SD 3.84Å; R166-M170 VanDerWaalsContact O-CG 3.28Å; R166-M170 WeakPolarHBondContact O-CG 3.41Å; R166-M170 PolarHBondContact O-N 2.83Å; R166-M170 VanDerWaalsContact O-N 3.09Å |
| 167 | M | 89 | Confident | 86.3 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60 | -41.1 | 177.3 | -70.9 | -167.8 | -71.1 | 0 | 0 | 112.3 | L76 P78 P135 L161 D162 E163 A164 M170 F172 I176 | L76-M167 HydrophobicContact CB-CE 4.46Å; L76-M167 HydrophobicContact CB-SD 4.06Å; P78-M167 HydrophobicContact CB-CG 3.61Å; P78-M167 HydrophobicContact CG-CG 4.19Å; P135-M167 HydrophobicContact CG-SD 3.94Å; L161-M167 HydrophobicContact CB-CE 3.77Å; L161-M167 HydrophobicContact CD2-CE 4.2Å; D162-M167 VanDerWaalsContact O-CE 3.24Å; D162-M167 WeakPolarHBondContact O-CE 3.22Å; E163-M167 PolarHBondContact O-N 2.73Å; A164-M167 HydrophobicContact CB-CE 4.41Å; A164-M167 PolarHBondContact O-N 3.28Å; M167-M170 PolarHBondContact O-N 3.4Å; M167-F172 WeakPolarHBondContact O-CB 3.2Å; M167-F172 PolarHBondContact O-N 2.98Å; M167-I176 HydrophobicContact CB-CD1 3.66Å; M167-I176 HydrophobicContact CE-CD1 4.3Å; M167-I176 HydrophobicContact CG-CD1 4.5Å; M167-I176 HydrophobicContact SD-CD1 4.17Å |
| 168 | L | 86.3 | Confident | 86.2 | Confident | 20 Ų | 20 | 39.5 Ų | 39.5 | 11% | 0.105 | 21% | 0.208 | C | C | . | . | I | π-helix | trans | -68.1 | -36.2 | 178.7 | -68.3 | 173.3 | 0 | 0 | 0 | 112.5 | A164 D165 R166 A173 I176 D245 V246 L249 | A164-L168 VanDerWaalsContact O-CG 3.28Å; A164-L168 WeakPolarHBondContact O-CG 3.31Å; A164-L168 PolarHBondContact O-N 3.48Å; D165-L168 PolarHBondContact O-N 3.03Å; R166-L168 VanDerWaalsContact C-N 3.3Å; R166-L168 PolarHBondContact O-N 2.92Å; L168-A173 HydrophobicContact CD2-CB 3.87Å; L168-I176 HydrophobicContact CD2-CD1 4.37Å; L168-D245 HydrophobicContact CB-CB 4.38Å; L168-D245 VanDerWaalsContact CD1-C 3.49Å; L168-D245 HydrophobicContact CD1-CB 3.9Å; L168-V246 HydrophobicContact CD1-CB 4.41Å; L168-V246 HydrophobicContact CD1-CG2 3.84Å; L168-L249 HydrophobicContact CD1-CB 4.05Å; L168-L249 HydrophobicContact CD1-CD2 3.86Å; L168-L249 HydrophobicContact CD2-CD2 4.2Å; L168-L249 HydrophobicContact CG-CD2 4.24Å |
| 169 | N | 80.6 | Confident | 85.8 | Confident | 112 Ų | 112 | 39.5 Ų | 39.5 | 60% | 0.599 | 21% | 0.208 | S | C | * | . | I | π-helix | trans | -71.8 | -29.8 | 178.1 | -69.5 | -15.4 | 0 | 0 | 0 | 113.3 | D165 R166 A171 | D165-N169 VanDerWaalsContact O-CG 3.26Å; D165-N169 PolarHBondContact O-N 2.73Å; D165-N169 VanDerWaalsContact O-N 3.14Å; D165-N169 PolarHBondContact O-ND2 3.26Å; R166-N169 PolarHBondContact O-N 3.49Å; N169-A171 PolarHBondContact O-N 3.47Å |
| 170 | M | 68.3 | Low | 85.3 | Confident | 86 Ų | 86 | 40.4 Ų | 40.4 | 42% | 0.424 | 21% | 0.213 | S | C | . | . | I | π-helix | trans | -82.9 | 22.9 | -175.9 | -69.3 | -179.7 | 74.2 | 0 | 0 | 114.4 | P78 R166 M167 F172 | P78-M170 HydrophobicContact CB-SD 4.1Å; R166-M170 HydrophobicContact CG-CG 4.4Å; R166-M170 HydrophobicContact CG-SD 3.84Å; R166-M170 VanDerWaalsContact O-CG 3.28Å; R166-M170 WeakPolarHBondContact O-CG 3.41Å; R166-M170 PolarHBondContact O-N 2.83Å; R166-M170 VanDerWaalsContact O-N 3.09Å; M167-M170 PolarHBondContact O-N 3.4Å; M170-F172 HydrophobicContact CB-CD2 3.69Å; M170-F172 HydrophobicContact CB-CE2 3.71Å; M170-F172 HydrophobicContact CE-CE2 4.19Å; M170-F172 PolarHBondContact O-N 2.89Å; M170-F172 HydrophobicContact SD-CE2 4.35Å |
| 171 | A | 73.6 | Confident | 84.6 | Confident | 79 Ų | 79 | 44.7 Ų | 44.7 | 65% | 0.653 | 24% | 0.236 | S | C | * | . | I | π-helix | trans | 63.2 | 9.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | N169 A173 | N169-A171 PolarHBondContact O-N 3.47Å; A171-A173 PolarHBondContact O-N 2.96Å |
| 172 | F | 81.7 | Confident | 83.6 | Confident | 44 Ų | 44 | 45.4 Ų | 45.4 | 19% | 0.193 | 24% | 0.24 | C | C | . | . | I | π-helix | trans | -78.6 | -1 | 171.4 | -56.7 | -59.9 | 0 | 0 | 0 | 113.2 | P135 M167 M170 D174 D175 I176 | P135-F172 HydrophobicContact CB-CB 4.06Å; P135-F172 HydrophobicContact CB-CD1 4.14Å; P135-F172 HydrophobicContact CB-CG 4.17Å; P135-F172 HydrophobicContact CG-CB 4.16Å; P135-F172 HydrophobicContact CG-CG 4.21Å; M167-F172 WeakPolarHBondContact O-CB 3.2Å; M167-F172 PolarHBondContact O-N 2.98Å; M170-F172 HydrophobicContact CB-CD2 3.69Å; M170-F172 HydrophobicContact CB-CE2 3.71Å; M170-F172 HydrophobicContact CE-CE2 4.19Å; M170-F172 PolarHBondContact O-N 2.89Å; M170-F172 HydrophobicContact SD-CE2 4.35Å; F172-D174 VanDerWaalsContact C-N 3.28Å; F172-D174 PolarHBondContact O-N 3.02Å; F172-D175 PolarHBondContact O-N 3.17Å; F172-I176 WeakPolarHBondContact O-CG1 3.48Å; F172-I176 PolarHBondContact O-N 3.09Å |
| 173 | A | 80.8 | Confident | 82.8 | Confident | 28 Ų | 28 | 45.5 Ų | 45.5 | 23% | 0.231 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -53.2 | -44.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L168 A171 D175 I176 D177 | L168-A173 HydrophobicContact CD2-CB 3.87Å; A171-A173 PolarHBondContact O-N 2.96Å; A173-D175 VanDerWaalsContact C-N 3.3Å; A173-D175 PolarHBondContact O-N 3.16Å; A173-I176 PolarHBondContact O-N 3.38Å; A173-D177 WeakPolarHBondContact O-CB 3.38Å; A173-D177 PolarHBondContact O-N 3Å |
| 174 | D | 83.4 | Confident | 81.9 | Confident | 111 Ų | 111 | 48.6 Ų | 48.6 | 59% | 0.594 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -65 | -34.6 | 178 | -73 | -11.3 | 0 | 0 | 0 | 112.6 | F172 K178 | F172-D174 VanDerWaalsContact C-N 3.28Å; F172-D174 PolarHBondContact O-N 3.02Å; D174-K178 WeakPolarHBondContact O-CD 3.39Å; D174-K178 WeakPolarHBondContact O-CE 3.44Å; D174-K178 WeakPolarHBondContact O-CG 3.48Å; D174-K178 PolarHBondContact O-N 2.93Å |
| 175 | D | 85.4 | Confident | 80.9 | Confident | 26 Ų | 26 | 54.8 Ų | 54.8 | 14% | 0.139 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -76.2 | -39.6 | 180 | -71.7 | -22.6 | 0 | 0 | 0 | 111.4 | P135 I139 F172 A173 K178 I179 | P135-D175 HydrophobicContact CB-CB 4.3Å; I139-D175 HydrophobicContact CD1-CB 4.48Å; I139-D175 HydrophobicContact CG1-CB 3.74Å; F172-D175 PolarHBondContact O-N 3.17Å; A173-D175 VanDerWaalsContact C-N 3.3Å; A173-D175 PolarHBondContact O-N 3.16Å; D175-K178 WeakPolarHBondContact O-CB 3.49Å; D175-K178 PolarHBondContact O-N 3.2Å; D175-K178 IonicContact OD1-NZ 3.9Å; D175-K178 PolarHBondContact OD1-NZ 2.83Å; D175-I179 WeakPolarHBondContact O-CD1 3.27Å; D175-I179 WeakPolarHBondContact O-CG1 3.22Å; D175-I179 PolarHBondContact O-N 2.94Å |
| 176 | I | 86.1 | Confident | 79.5 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.9 | -46 | 171 | -69.4 | 170.3 | 0 | 0 | 0 | 110.2 | M167 L168 F172 A173 K178 I179 L180 L249 | M167-I176 HydrophobicContact CB-CD1 3.66Å; M167-I176 HydrophobicContact CE-CD1 4.3Å; M167-I176 HydrophobicContact CG-CD1 4.5Å; M167-I176 HydrophobicContact SD-CD1 4.17Å; L168-I176 HydrophobicContact CD2-CD1 4.37Å; F172-I176 WeakPolarHBondContact O-CG1 3.48Å; F172-I176 PolarHBondContact O-N 3.09Å; A173-I176 PolarHBondContact O-N 3.38Å; I176-K178 VanDerWaalsContact C-N 3.3Å; I176-K178 PolarHBondContact O-N 3.41Å; I176-I179 PolarHBondContact O-N 2.88Å; I176-I179 VanDerWaalsContact O-N 3.14Å; I176-L180 HydrophobicContact CG2-CD1 3.7Å; I176-L180 HydrophobicContact CG2-CG 4.15Å; I176-L180 WeakPolarHBondContact O-CB 3.42Å; I176-L180 WeakPolarHBondContact O-CG 3.4Å; I176-L180 PolarHBondContact O-N 3.27Å; I176-L249 HydrophobicContact CG2-CD1 3.73Å |
| 177 | D | 83.1 | Confident | 77.9 | Confident | 62 Ų | 62 | 59.5 Ų | 59.5 | 33% | 0.332 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.8 | -39.4 | 177.1 | -86.1 | -15.2 | 0 | 0 | 0 | 111.5 | A173 N181 | A173-D177 WeakPolarHBondContact O-CB 3.38Å; A173-D177 PolarHBondContact O-N 3Å; D177-N181 VanDerWaalsContact O-CB 3.23Å; D177-N181 WeakPolarHBondContact O-CB 3.47Å; D177-N181 PolarHBondContact O-N 3.49Å; D177-N181 PolarHBondContact O-ND2 2.96Å |
| 178 | K | 80.7 | Confident | 75.9 | Confident | 99 Ų | 99 | 65.4 Ų | 65.4 | 43% | 0.43 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -60.3 | -45.5 | 173.7 | -75.2 | 164.8 | -150.8 | 154.5 | 0 | 111.6 | I139 D174 D175 I176 L182 | I139-K178 HydrophobicContact CD1-CB 4.18Å; D174-K178 WeakPolarHBondContact O-CD 3.39Å; D174-K178 WeakPolarHBondContact O-CE 3.44Å; D174-K178 WeakPolarHBondContact O-CG 3.48Å; D174-K178 PolarHBondContact O-N 2.93Å; D175-K178 WeakPolarHBondContact O-CB 3.49Å; D175-K178 PolarHBondContact O-N 3.2Å; D175-K178 IonicContact OD1-NZ 3.9Å; D175-K178 PolarHBondContact OD1-NZ 2.83Å; I176-K178 VanDerWaalsContact C-N 3.3Å; I176-K178 PolarHBondContact O-N 3.41Å; K178-L182 WeakPolarHBondContact O-CG 3.24Å |
| 179 | I | 81.1 | Confident | 73.6 | Confident | 2 Ų | 2 | 74.6 Ų | 74.6 | 1% | 0.01 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -64.6 | -49.5 | 179.6 | -66.1 | 160.4 | 0 | 0 | 0 | 110.4 | L76 L138 I139 D175 I176 N181 L182 Y183 | L76-I179 HydrophobicContact CD1-CD1 3.87Å; L138-I179 HydrophobicContact CD2-CD1 3.79Å; L138-I179 HydrophobicContact CD2-CG1 4.41Å; I139-I179 HydrophobicContact CD1-CD1 4.14Å; I139-I179 HydrophobicContact CD1-CG1 3.78Å; D175-I179 WeakPolarHBondContact O-CD1 3.27Å; D175-I179 WeakPolarHBondContact O-CG1 3.22Å; D175-I179 PolarHBondContact O-N 2.94Å; I176-I179 PolarHBondContact O-N 2.88Å; I176-I179 VanDerWaalsContact O-N 3.14Å; I179-N181 VanDerWaalsContact C-N 3.32Å; I179-N181 PolarHBondContact O-N 3.34Å; I179-L182 VanDerWaalsContact O-CB 3.31Å; I179-L182 WeakPolarHBondContact O-CB 3.47Å; I179-L182 WeakPolarHBondContact O-CG 3.27Å; I179-L182 PolarHBondContact O-N 3.09Å; I179-Y183 HydrophobicContact CG2-CE2 4.42Å; I179-Y183 WeakPolarHBondContact O-CD2 3.33Å |
| 180 | L | 83.2 | Confident | 71.8 | Confident | 21 Ų | 21 | 72.9 Ų | 72.9 | 11% | 0.11 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -65.8 | -32.9 | -177.6 | -69.6 | 176.8 | 0 | 0 | 0 | 113.2 | L159 I176 L182 Y183 I235 L249 A253 | L159-L180 HydrophobicContact CD2-CD2 3.61Å; I176-L180 HydrophobicContact CG2-CD1 3.7Å; I176-L180 HydrophobicContact CG2-CG 4.15Å; I176-L180 WeakPolarHBondContact O-CB 3.42Å; I176-L180 WeakPolarHBondContact O-CG 3.4Å; I176-L180 PolarHBondContact O-N 3.27Å; L180-L182 PolarHBondContact O-N 3.17Å; L180-Y183 PolarHBondContact O-N 2.89Å; L180-I235 HydrophobicContact CD2-CD1 4.35Å; L180-L249 HydrophobicContact CD1-CD1 3.38Å; L180-A253 HydrophobicContact CD1-CB 3.75Å; L180-A253 HydrophobicContact CD2-CB 4.01Å |
| 181 | N | 81.8 | Confident | 70.2 | Confident | 90 Ų | 90 | 76.2 Ų | 76.2 | 48% | 0.481 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -14.4 | 178.7 | -81.4 | -45 | 0 | 0 | 0 | 114 | D177 I179 Y183 | D177-N181 VanDerWaalsContact O-CB 3.23Å; D177-N181 WeakPolarHBondContact O-CB 3.47Å; D177-N181 PolarHBondContact O-N 3.49Å; D177-N181 PolarHBondContact O-ND2 2.96Å; I179-N181 VanDerWaalsContact C-N 3.32Å; I179-N181 PolarHBondContact O-N 3.34Å; N181-Y183 VanDerWaalsContact C-N 3.25Å; N181-Y183 PolarHBondContact O-N 3.44Å |
| 182 | L | 73.8 | Confident | 68.4 | Low | 15 Ų | 15 | 82.6 Ų | 82.6 | 8% | 0.079 | 41% | 0.41 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -19.9 | 175.2 | -57.7 | 171.9 | 0 | 0 | 0 | 112.5 | L153 K178 I179 L180 I226 K229 Y230 | L153-L182 HydrophobicContact CD1-CD1 3.23Å; K178-L182 WeakPolarHBondContact O-CG 3.24Å; I179-L182 VanDerWaalsContact O-CB 3.31Å; I179-L182 WeakPolarHBondContact O-CB 3.47Å; I179-L182 WeakPolarHBondContact O-CG 3.27Å; I179-L182 PolarHBondContact O-N 3.09Å; L180-L182 PolarHBondContact O-N 3.17Å; L182-I226 HydrophobicContact CD2-CD1 3.89Å; L182-I226 HydrophobicContact CD2-CG2 3.71Å; L182-K229 WeakPolarHBondContact O-CA 3.04Å; L182-Y230 HydrophobicContact CB-CD2 4.32Å; L182-Y230 PolarHBondContact O-N 3.39Å |
| 183 | Y | 77.7 | Confident | 66.3 | Low | 8 Ų | 8 | 87.5 Ų | 87.5 | 3% | 0.031 | 43% | 0.433 | C | S | . | . | B | Isolated β-bridge | trans | -96.9 | 149.3 | -178.8 | -59.3 | -74.8 | 0 | 0 | 0 | 111.6 | L153 I156 I179 L180 N181 K185 Y230 P231 P233 | L153-Y183 WeakPolarHBondContact O-CE1 3.31Å; L153-Y183 PolarHBondContact O-OH 2.97Å; I156-Y183 HydrophobicContact CB-CE1 4.48Å; I156-Y183 WeakPolarHBondContact CB-OH 3.37Å; I156-Y183 WeakPolarHBondContact CD1-OH 3.28Å; I179-Y183 HydrophobicContact CG2-CE2 4.42Å; I179-Y183 WeakPolarHBondContact O-CD2 3.33Å; L180-Y183 PolarHBondContact O-N 2.89Å; N181-Y183 VanDerWaalsContact C-N 3.25Å; N181-Y183 PolarHBondContact O-N 3.44Å; Y183-K185 PolarHBondContact O-N 2.75Å; Y183-Y230 CarbonylContact C-O 3.55Å; Y183-Y230 WeakPolarHBondContact CA-O 3.3Å; Y183-P231 WeakPolarHBondContact CD1-O 3.36Å; Y183-P233 HydrophobicContact CD1-CG 4.24Å; Y183-P233 HydrophobicContact CE1-CG 4.31Å; Y183-P233 HydrophobicContact CG-CG 4.4Å |
| 184 | E | 74.5 | Confident | 64.3 | Low | 94 Ų | 94 | 95.9 Ų | 95.9 | 44% | 0.439 | 46% | 0.464 | S | S | . | . | P | Polyproline II helix | trans | -62.6 | 134.8 | 168.6 | -70.2 | -166.3 | 171 | 0 | 0 | 109.5 | K229 Y230 | E184-K229 HydrophobicContact CG-CB 3.49Å; E184-K229 VanDerWaalsContact CG-CB 3.49Å; E184-K229 HydrophobicContact CG-CD 4.32Å; E184-Y230 PolarHBondContact N-O 3.36Å |
| 185 | K | 69.8 | Low | 62.2 | Low | 130 Ų | 130 | 101.6 Ų | 101.6 | 57% | 0.565 | 48% | 0.478 | S | S | * | . | P | Polyproline II helix | trans | -70.7 | 130.5 | 172.1 | -70.4 | -171 | 174.7 | -174.5 | 0 | 108 | Y183 K187 | Y183-K185 PolarHBondContact O-N 2.75Å; K185-K187 PolarHBondContact O-N 2.97Å |
| 186 | P | 59.1 | Low | 60.2 | Low | 38 Ų | 38 | 110.1 Ų | 110.1 | 25% | 0.247 | 51% | 0.513 | C | S | . | . | P | Polyproline II helix | trans | -58.4 | 125.2 | -178.4 | 18.5 | -27 | 0 | 0 | 0 | 109.3 | M188 S255 | P186-M188 PolarHBondContact O-N 3.23Å; P186-M188 VanDerWaalsContact O-N 3.13Å; P186-S255 VanDerWaalsContact CG-CA 3.49Å |
| 187 | K | 55 | Low | 58 | Low | 184 Ų | 184 | 121 Ų | 121 | 80% | 0.8 | 55% | 0.554 | S | S | * | * | trans | -64.3 | 115.3 | -175.4 | -69.9 | 178.1 | -177.4 | 168.6 | 0 | 109.1 | K185 K189 | K185-K187 PolarHBondContact O-N 2.97Å; K187-K189 PolarHBondContact O-N 3.26Å | ||
| 188 | M | 47.4 | Very low | 56.3 | Low | 125 Ų | 125 | 124.4 Ų | 124.4 | 62% | 0.616 | 57% | 0.566 | S | S | * | * | trans | -63.8 | 106.2 | 169.2 | -71.3 | -142.6 | -73.6 | 0 | 0 | 109.4 | P186 G190 | P186-M188 PolarHBondContact O-N 3.23Å; P186-M188 VanDerWaalsContact O-N 3.13Å; M188-G190 PolarHBondContact O-N 3.3Å | ||
| 189 | K | 37.9 | Very low | 54.9 | Low | 213 Ų | 213 | 124.1 Ų | 124.1 | 93% | 0.926 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.3 | 116.6 | 163.4 | -74.2 | -175.1 | 178.3 | 177.8 | 0 | 106.9 | K187 | K187-K189 PolarHBondContact O-N 3.26Š|
| 190 | G | 42.5 | Very low | 53.5 | Low | 76 Ų | 76 | 129.9 Ų | 129.9 | 78% | 0.784 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 122.9 | 2.5 | 159.4 | 0 | 0 | 0 | 0 | 0 | 119.5 | M188 | M188-G190 PolarHBondContact O-N 3.3Š|
| 191 | K | 35.2 | Very low | 52.1 | Low | 156 Ų | 156 | 135.7 Ų | 135.7 | 68% | 0.678 | 64% | 0.635 | S | S | * | * | trans | -120 | 94.1 | 168.1 | -74.8 | -176 | 179.8 | 173.1 | 0 | 111.3 | H193 | K191-H193 PolarHBondContact O-N 3.03Š| ||
| 192 | K | 35.1 | Very low | 51.4 | Low | 213 Ų | 213 | 134.4 Ų | 134.4 | 93% | 0.926 | 63% | 0.63 | S | S | * | * | trans | -59.1 | 83.1 | 154.9 | -79.5 | -177.6 | 178.5 | 172.8 | 0 | 107.2 | K194 | K192-K194 VanDerWaalsContact C-N 3.33Å; K192-K194 PolarHBondContact O-N 2.87Å | ||
| 193 | H | 38.5 | Very low | 50.7 | Low | 147 Ų | 147 | 138.2 Ų | 138.2 | 68% | 0.681 | 65% | 0.648 | S | S | * | * | trans | -61.3 | 105 | 161.9 | -84.9 | -72.5 | 0 | 0 | 0 | 105.7 | K191 R195 | K191-H193 PolarHBondContact O-N 3.03Å; H193-R195 PolarHBondContact O-N 3.33Å | ||
| 194 | K | 39.2 | Very low | 49.6 | Very low | 204 Ų | 204 | 142.4 Ų | 142.4 | 89% | 0.887 | 67% | 0.67 | S | S | * | * | trans | -52.6 | 95.3 | 159 | -88.9 | -177 | 175.1 | 176.4 | 0 | 105.2 | K192 K196 | K192-K194 VanDerWaalsContact C-N 3.33Å; K192-K194 PolarHBondContact O-N 2.87Å; K194-K196 VanDerWaalsContact C-N 3.32Å; K194-K196 PolarHBondContact O-N 2.88Å | ||
| 195 | R | 39.9 | Very low | 48.9 | Very low | 231 Ų | 231 | 140.4 Ų | 140.4 | 87% | 0.872 | 67% | 0.67 | S | S | * | * | trans | -56.7 | 103.4 | 168.4 | -83 | 179.3 | 158.3 | 171.5 | -5.9 | 104.8 | H193 R197 | H193-R195 PolarHBondContact O-N 3.33Å; R195-R197 VanDerWaalsContact C-N 3.3Å; R195-R197 PolarHBondContact O-N 2.92Å | ||
| 196 | K | 42.4 | Very low | 48.2 | Very low | 204 Ų | 204 | 139.3 Ų | 139.3 | 89% | 0.887 | 67% | 0.67 | S | S | * | * | trans | -57.1 | 104.1 | 166.3 | -82.7 | -173.8 | 175 | -178.1 | 0 | 104.9 | K194 K198 | K194-K196 VanDerWaalsContact C-N 3.32Å; K194-K196 PolarHBondContact O-N 2.88Å; K196-K198 PolarHBondContact O-N 3.48Å | ||
| 197 | R | 40.4 | Very low | 47.7 | Very low | 228 Ų | 228 | 144 Ų | 144 | 86% | 0.86 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 128 | 172 | -80 | -179.3 | 156.6 | 174.8 | -6.8 | 106.2 | R195 | R195-R197 VanDerWaalsContact C-N 3.3Å; R195-R197 PolarHBondContact O-N 2.92Å |
| 198 | K | 47.9 | Very low | 47.1 | Very low | 135 Ų | 135 | 141.9 Ų | 141.9 | 59% | 0.587 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 135.3 | 173.6 | -69.8 | -177.1 | 176.1 | -175.2 | 0 | 107.7 | K196 L200 V202 | K196-K198 PolarHBondContact O-N 3.48Å; K198-L200 PolarHBondContact O-N 3.06Å; K198-V202 HydrophobicContact CD-CG1 4.35Å |
| 199 | P | 51.1 | Low | 46.6 | Very low | 92 Ų | 92 | 142.7 Ų | 142.7 | 60% | 0.597 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -53 | 141.4 | 179 | -23.8 | 32 | 0 | 0 | 0 | 110.8 | L201 V202 | P199-L201 PolarHBondContact O-N 2.88Å; P199-V202 PolarHBondContact O-N 3.26Å |
| 200 | L | 50.7 | Low | 46.3 | Very low | 124 Ų | 124 | 135.4 Ų | 135.4 | 65% | 0.649 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -49.9 | -34.1 | -173.6 | -161.7 | 103.7 | 0 | 0 | 0 | 112.8 | K198 V202 Q203 L204 | K198-L200 PolarHBondContact O-N 3.06Å; L200-V202 VanDerWaalsContact C-N 3.31Å; L200-V202 PolarHBondContact O-N 3.5Å; L200-Q203 WeakPolarHBondContact O-CB 3.27Å; L200-Q203 PolarHBondContact O-N 2.84Å; L200-Q203 VanDerWaalsContact O-N 3.08Å; L200-L204 HydrophobicContact CD2-CD1 3.96Å; L200-L204 PolarHBondContact O-N 3.43Å |
| 201 | L | 54 | Low | 45.7 | Very low | 143 Ų | 143 | 139.3 Ų | 139.3 | 75% | 0.749 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -63.9 | -33.7 | -179.8 | -147.9 | 78.2 | 0 | 0 | 0 | 113.3 | P199 Q203 L204 A205 | P199-L201 PolarHBondContact O-N 2.88Å; L201-Q203 VanDerWaalsContact C-N 3.33Å; L201-L204 PolarHBondContact O-N 3.36Å; L201-A205 WeakPolarHBondContact O-CB 3.35Å; L201-A205 PolarHBondContact O-N 3.19Å |
| 202 | V | 66.7 | Low | 45.5 | Very low | 62 Ų | 62 | 137.4 Ų | 137.4 | 38% | 0.376 | 69% | 0.686 | S | S | . | * | H | α-helix | trans | -70.7 | -34.1 | 174.9 | -179.7 | 0 | 0 | 0 | 0 | 110.4 | K198 P199 L200 A205 D206 | K198-V202 HydrophobicContact CD-CG1 4.35Å; P199-V202 PolarHBondContact O-N 3.26Å; L200-V202 VanDerWaalsContact C-N 3.31Å; L200-V202 PolarHBondContact O-N 3.5Å; V202-A205 PolarHBondContact O-N 3.02Å; V202-D206 VanDerWaalsContact O-CG 3.29Å; V202-D206 PolarHBondContact O-N 3.28Å; V202-D206 VanDerWaalsContact O-N 3.13Å |
| 203 | Q | 58.9 | Low | 45.5 | Very low | 95 Ų | 95 | 135.2 Ų | 135.2 | 44% | 0.444 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -69.3 | -35.6 | 176.8 | -61.9 | -178.4 | -18.5 | 0 | 0 | 112 | L200 L201 | L200-Q203 WeakPolarHBondContact O-CB 3.27Å; L200-Q203 PolarHBondContact O-N 2.84Å; L200-Q203 VanDerWaalsContact O-N 3.08Å; L201-Q203 VanDerWaalsContact C-N 3.33Å |
| 204 | L | 54.8 | Low | 45.2 | Very low | 97 Ų | 97 | 134.7 Ų | 134.7 | 51% | 0.508 | 69% | 0.686 | S | S | . | * | H | α-helix | trans | -74 | -36.2 | 176.1 | -69.1 | 170.2 | 0 | 0 | 0 | 112.1 | L200 L201 D206 N207 | L200-L204 HydrophobicContact CD2-CD1 3.96Å; L200-L204 PolarHBondContact O-N 3.43Å; L201-L204 PolarHBondContact O-N 3.36Å; L204-D206 VanDerWaalsContact C-N 3.34Å; L204-N207 PolarHBondContact O-N 3.25Å |
| 205 | A | 59.5 | Low | 44.9 | Very low | 51 Ų | 51 | 132.3 Ų | 132.3 | 42% | 0.421 | 68% | 0.683 | S | S | . | * | H | α-helix | trans | -64.5 | -38.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L201 V202 N207 N208 | L201-A205 WeakPolarHBondContact O-CB 3.35Å; L201-A205 PolarHBondContact O-N 3.19Å; V202-A205 PolarHBondContact O-N 3.02Å; A205-N207 PolarHBondContact O-N 3.43Å; A205-N208 PolarHBondContact O-N 3.2Å |
| 206 | D | 55.5 | Low | 44.4 | Very low | 108 Ų | 108 | 129.5 Ų | 129.5 | 58% | 0.578 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -65.5 | -25.4 | 178 | -73.3 | -19.1 | 0 | 0 | 0 | 112.5 | V202 L204 | V202-D206 VanDerWaalsContact O-CG 3.29Å; V202-D206 PolarHBondContact O-N 3.28Å; V202-D206 VanDerWaalsContact O-N 3.13Å; L204-D206 VanDerWaalsContact C-N 3.34Å |
| 207 | N | 49.4 | Very low | 44 | Very low | 135 Ų | 135 | 127.4 Ų | 127.4 | 72% | 0.722 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -80.5 | -20.5 | 179.6 | -81.4 | -0.9 | 0 | 0 | 0 | 114.2 | L204 A205 | L204-N207 PolarHBondContact O-N 3.25Å; A205-N207 PolarHBondContact O-N 3.43Å |
| 208 | N | 42.6 | Very low | 43.7 | Very low | 141 Ų | 141 | 121.8 Ų | 121.8 | 75% | 0.754 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -104.9 | -6.6 | -175 | -85.6 | 0.3 | 0 | 0 | 0 | 115.2 | A205 G210 | A205-N208 PolarHBondContact O-N 3.2Å; N208-G210 VanDerWaalsContact C-N 3.35Å; N208-G210 PolarHBondContact O-N 3.41Å; N208-G210 VanDerWaalsContact O-N 3.1Å |
| 209 | N | 36.4 | Very low | 43 | Very low | 142 Ų | 142 | 122.3 Ų | 122.3 | 76% | 0.759 | 68% | 0.678 | S | S | * | * | trans | -91.5 | 72.7 | 179.3 | -75.1 | -11.9 | 0 | 0 | 0 | 111.9 | ||||
| 210 | G | 32.2 | Very low | 42.3 | Very low | 60 Ų | 60 | 123 Ų | 123 | 62% | 0.619 | 68% | 0.676 | S | S | * | * | trans | -67 | 149.9 | 145.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | N208 | N208-G210 VanDerWaalsContact C-N 3.35Å; N208-G210 PolarHBondContact O-N 3.41Å; N208-G210 VanDerWaalsContact O-N 3.1Å | ||
| 211 | I | 29.8 | Very low | 41.4 | Very low | 158 Ų | 158 | 125 Ų | 125 | 81% | 0.81 | 68% | 0.68 | S | S | * | * | trans | 101.4 | 120.2 | 162.2 | -52.7 | 170.1 | 0 | 0 | 0 | 116.2 | ||||
| 212 | T | 31.2 | Very low | 40.4 | Very low | 116 Ų | 116 | 125 Ų | 125 | 71% | 0.712 | 68% | 0.678 | S | S | * | * | trans | 68.9 | 105.8 | 161.1 | 55.1 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 213 | N | 33.5 | Very low | 39.1 | Very low | 166 Ų | 166 | 128 Ų | 128 | 89% | 0.888 | 69% | 0.691 | S | S | * | * | -168.2 | 87 | 125.3 | -88.3 | -24.8 | 0 | 0 | 0 | 109 | |||||
| 214 | N | 33.3 | Very low | 38 | Very low | 136 Ų | 136 | 131.9 Ų | 131.9 | 73% | 0.727 | 71% | 0.706 | S | S | * | * | trans | -75.3 | 120.5 | 159.5 | -82.3 | -27.1 | 0 | 0 | 0 | 106.7 | ||||
| 215 | D | 32.6 | Very low | 37.3 | Very low | 155 Ų | 155 | 133.5 Ų | 133.5 | 83% | 0.829 | 71% | 0.714 | S | S | * | * | S | Bend | trans | 168.7 | 12.8 | 144.2 | -83.2 | -11.6 | 0 | 0 | 0 | 116 | ||
| 216 | M | 29.6 | Very low | 36.7 | Very low | 171 Ų | 171 | 135.4 Ų | 135.4 | 84% | 0.842 | 72% | 0.717 | S | S | * | * | trans | -123 | 32.9 | 175.2 | -80.6 | -72.9 | -174.9 | 0 | 0 | 114.8 | ||||
| 217 | K | 34.4 | Very low | 36.5 | Very low | 160 Ų | 160 | 136 Ų | 136 | 70% | 0.696 | 72% | 0.724 | S | S | * | * | trans | -96.4 | -3.6 | -173.6 | -92.6 | 179.2 | -178.4 | 167.9 | 0 | 117 | ||||
| 218 | S | 34.6 | Very low | 36.8 | Very low | 110 Ų | 110 | 133.6 Ų | 133.6 | 77% | 0.769 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -83 | -45 | -178.6 | -147.7 | 0 | 0 | 0 | 0 | 113.3 | ||
| 219 | N | 32.6 | Very low | 38 | Very low | 146 Ų | 146 | 131.7 Ų | 131.7 | 78% | 0.781 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -80.8 | -24.1 | -174.7 | -76.9 | -6.1 | 0 | 0 | 0 | 114.8 | ||
| 220 | N | 35.1 | Very low | 39.5 | Very low | 107 Ų | 107 | 126.2 Ų | 126.2 | 57% | 0.572 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -85.2 | -6.8 | -176.7 | -87.9 | -18.1 | 0 | 0 | 0 | 115.2 | M222 | N220-M222 VanDerWaalsContact C-N 3.3Å; N220-M222 PolarHBondContact O-N 3.1Å |
| 221 | K | 33.6 | Very low | 41.3 | Very low | 167 Ų | 167 | 128 Ų | 128 | 73% | 0.726 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -69 | -28.2 | 177.6 | -89 | 179.9 | 177.5 | 173.4 | 0 | 113.1 | ||
| 222 | M | 32.5 | Very low | 43.6 | Very low | 143 Ų | 143 | 123 Ų | 123 | 70% | 0.704 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | -28 | -177.7 | -163.2 | 163.8 | 146.6 | 0 | 0 | 112.7 | N220 | N220-M222 VanDerWaalsContact C-N 3.3Å; N220-M222 PolarHBondContact O-N 3.1Å |
| 223 | I | 38.2 | Very low | 46.3 | Very low | 125 Ų | 125 | 117.8 Ų | 117.8 | 64% | 0.641 | 61% | 0.61 | S | S | * | * | G | 310 helix | trans | -78 | -24.3 | -179.2 | -61.4 | 175.3 | 0 | 0 | 0 | 112.1 | L225 | I223-L225 PolarHBondContact O-N 3.38Å; I223-L225 VanDerWaalsContact O-N 3.11Å |
| 224 | K | 35.6 | Very low | 49 | Very low | 175 Ų | 175 | 111 Ų | 111 | 76% | 0.761 | 57% | 0.573 | S | S | * | * | G | 310 helix | trans | -71.4 | -5.9 | -175.6 | -132.1 | 179.5 | -174.2 | -177.2 | 0 | 114.8 | ||
| 225 | L | 42 | Very low | 51.8 | Low | 132 Ų | 132 | 104.6 Ų | 104.6 | 69% | 0.691 | 54% | 0.539 | S | S | * | . | G | 310 helix | trans | -91.8 | -13.1 | -173.9 | -140.3 | 81.7 | 0 | 0 | 0 | 114.7 | I223 T227 | I223-L225 PolarHBondContact O-N 3.38Å; I223-L225 VanDerWaalsContact O-N 3.11Å; L225-T227 PolarHBondContact O-N 3.43Å |
| 226 | I | 46.5 | Very low | 54.7 | Low | 91 Ų | 91 | 97.2 Ų | 97.2 | 47% | 0.467 | 50% | 0.5 | S | S | . | . | trans | -103.7 | 71.2 | 176.9 | -46.7 | 175.5 | 0 | 0 | 0 | 109.1 | L182 | L182-I226 HydrophobicContact CD2-CD1 3.89Å; L182-I226 HydrophobicContact CD2-CG2 3.71Å | ||
| 227 | T | 51.7 | Low | 57.8 | Low | 121 Ų | 121 | 89.1 Ų | 89.1 | 74% | 0.742 | 46% | 0.459 | S | S | * | . | trans | -83.5 | -17.1 | 172.4 | 49.7 | 0 | 0 | 0 | 0 | 112.6 | L225 | L225-T227 PolarHBondContact O-N 3.43Š| ||
| 228 | T | 54.9 | Low | 60.6 | Low | 84 Ų | 84 | 81.5 Ų | 81.5 | 52% | 0.515 | 43% | 0.426 | S | S | . | . | P | Polyproline II helix | trans | -81.6 | 117.3 | 177.9 | 45.1 | 0 | 0 | 0 | 0 | 110.4 | ||
| 229 | K | 66.8 | Low | 63.3 | Low | 101 Ų | 101 | 76.2 Ų | 76.2 | 44% | 0.439 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -93.9 | 143.4 | 170.5 | -66.5 | -164.9 | 167.4 | -143.5 | 0 | 110.4 | L182 E184 | L182-K229 WeakPolarHBondContact O-CA 3.04Å; E184-K229 HydrophobicContact CG-CB 3.49Å; E184-K229 VanDerWaalsContact CG-CB 3.49Å; E184-K229 HydrophobicContact CG-CD 4.32Å |
| 230 | Y | 69.4 | Low | 65.9 | Low | 26 Ų | 26 | 71.3 Ų | 71.3 | 10% | 0.102 | 37% | 0.369 | C | S | . | . | B | Isolated β-bridge | trans | -96.4 | 157 | 179.9 | -55.8 | -64.6 | 0 | 0 | 0 | 111.8 | A150 S154 L182 Y183 E184 | A150-Y230 VanDerWaalsContact CA-OH 3.24Å; A150-Y230 WeakPolarHBondContact CA-OH 3.34Å; S154-Y230 VanDerWaalsContact CB-CD1 3.41Å; S154-Y230 VanDerWaalsContact CB-CE1 3.44Å; L182-Y230 HydrophobicContact CB-CD2 4.32Å; L182-Y230 PolarHBondContact O-N 3.39Å; Y183-Y230 CarbonylContact C-O 3.55Å; Y183-Y230 WeakPolarHBondContact CA-O 3.3Å; E184-Y230 PolarHBondContact N-O 3.36Å |
| 231 | P | 68.5 | Low | 68.3 | Low | 98 Ų | 98 | 69.6 Ų | 69.6 | 64% | 0.636 | 36% | 0.363 | S | S | * | . | P | Polyproline II helix | trans | -52.3 | 142.9 | 174 | -25.2 | 34.7 | 0 | 0 | 0 | 112 | Y183 P233 | Y183-P231 WeakPolarHBondContact CD1-O 3.36Å; P231-P233 WeakPolarHBondContact O-CD 3.31Å |
| 232 | H | 80 | Confident | 70.6 | Confident | 54 Ų | 54 | 64.1 Ų | 64.1 | 25% | 0.25 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -67 | 120.6 | -179.7 | -179.8 | -98 | 0 | 0 | 0 | 110.4 | D40 I235 A253 | D40-H232 IonicContact OD1-CE1 3.8Å; D40-H232 IonicContact OD2-CE1 2.7Å; D40-H232 PolarHBondContact OD2-CE1 3.11Å; D40-H232 VanDerWaalsContact OD2-CE1 3.23Å; D40-H232 IonicContact OD2-NE2 3.59Å; H232-I235 WeakPolarHBondContact NE2-CD1 3.4Å; H232-A253 PolarHBondContact NE2-O 2.81Å |
| 233 | P | 86.3 | Confident | 73.1 | Confident | 5 Ų | 5 | 59 Ų | 59 | 3% | 0.032 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -76.1 | 160.2 | 175.8 | 31.4 | -34.1 | 0 | 0 | 0 | 110.8 | I156 H157 L159 Y183 P231 I235 | I156-P233 HydrophobicContact CG2-CB 3.99Å; I156-P233 HydrophobicContact CG2-CG 4.26Å; H157-P233 WeakPolarHBondContact O-CA 3.28Å; H157-P233 WeakPolarHBondContact O-CB 3.5Å; L159-P233 HydrophobicContact CB-CG 4.09Å; Y183-P233 HydrophobicContact CD1-CG 4.24Å; Y183-P233 HydrophobicContact CE1-CG 4.31Å; Y183-P233 HydrophobicContact CG-CG 4.4Å; P231-P233 WeakPolarHBondContact O-CD 3.31Å; P233-I235 HydrophobicContact CG-CG1 4.27Å; P233-I235 VanDerWaalsContact O-CG1 3.26Å; P233-I235 WeakPolarHBondContact O-CG1 3.28Å; P233-I235 PolarHBondContact O-N 3.17Å |
| 234 | Q | 90 | Very high | 75.2 | Confident | 23 Ų | 23 | 61.9 Ų | 61.9 | 11% | 0.107 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 122.4 | 168.3 | -176.1 | -179.8 | 10.3 | 0 | 0 | 109.2 | A35 G38 K39 H157 H158 L159 Y236 | A35-Q234 PolarHBondContact O-NE2 3.36Å; G38-Q234 VanDerWaalsContact C-NE2 3.33Å; K39-Q234 PolarHBondContact O-NE2 3.03Å; H157-Q234 PolarHBondContact O-N 3.42Å; H158-Q234 CarbonylContact C-O 3.58Å; H158-Q234 WeakPolarHBondContact CA-O 3.35Å; H158-Q234 PolarHBondContact CE1-OE1 3.12Å; H158-Q234 VanDerWaalsContact CE1-OE1 3.28Å; H158-Q234 PolarHBondContact ND1-OE1 3.26Å; L159-Q234 PolarHBondContact N-O 2.78Å; Q234-Y236 HydrophobicContact CB-CE2 4.46Å; Q234-Y236 HydrophobicContact CG-CE2 3.92Å; Q234-Y236 PolarHBondContact NE2-OH 3.3Å; Q234-Y236 PolarHBondContact OE1-OH 3.44Å |
| 235 | I | 92 | Very high | 77.5 | Confident | 2 Ų | 2 | 57.4 Ų | 57.4 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 133.2 | -173.8 | -51.7 | -170.6 | 0 | 0 | 0 | 111.1 | D40 I41 L159 L180 H232 P233 A253 L254 | D40-I235 CarbonylContact C-O 3.59Å; D40-I235 VanDerWaalsContact CA-O 3.3Å; D40-I235 WeakPolarHBondContact CA-O 3.32Å; D40-I235 PolarHBondContact OD1-N 2.9Å; I41-I235 PolarHBondContact N-O 3.24Å; L159-I235 HydrophobicContact CB-CG1 4.32Å; L159-I235 HydrophobicContact CD2-CD1 4.31Å; L159-I235 CarbonylContact O-C 3.58Å; L159-I235 VanDerWaalsContact O-CA 3.3Å; L159-I235 WeakPolarHBondContact O-CA 3.36Å; L180-I235 HydrophobicContact CD2-CD1 4.35Å; H232-I235 WeakPolarHBondContact NE2-CD1 3.4Å; P233-I235 HydrophobicContact CG-CG1 4.27Å; P233-I235 VanDerWaalsContact O-CG1 3.26Å; P233-I235 WeakPolarHBondContact O-CG1 3.28Å; P233-I235 PolarHBondContact O-N 3.17Å; I235-A253 HydrophobicContact CD1-CB 4.24Å; I235-A253 WeakPolarHBondContact CD1-O 3.2Å; I235-L254 HydrophobicContact CB-CD2 3.47Å; I235-L254 VanDerWaalsContact CB-CD2 3.47Å; I235-L254 HydrophobicContact CD1-CD2 4.31Å; I235-L254 HydrophobicContact CG1-CD2 4.38Å; I235-L254 HydrophobicContact CG2-CD2 3.4Å |
| 236 | Y | 95.5 | Very high | 79.4 | Confident | 1 Ų | 1 | 51.1 Ų | 51.1 | 0% | 0.004 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 117.5 | 172.3 | -57.2 | -100 | 0 | 0 | 0 | 108.2 | A35 I41 F55 P58 I59 H158 L159 V160 L161 Q234 Y238 | A35-Y236 HydrophobicContact CB-CE1 3.76Å; I41-Y236 HydrophobicContact CB-CD1 4.07Å; I41-Y236 HydrophobicContact CG1-CD1 4.06Å; I41-Y236 HydrophobicContact CG1-CE1 4.15Å; F55-Y236 HydrophobicContact CB-CD1 3.72Å; F55-Y236 HydrophobicContact CB-CE1 4.22Å; F55-Y236 HydrophobicContact CB-CG 4.03Å; P58-Y236 HydrophobicContact CG-CE1 4.38Å; I59-Y236 HydrophobicContact CD1-CD2 4.2Å; I59-Y236 HydrophobicContact CD1-CE2 3.84Å; I59-Y236 HydrophobicContact CG1-CE2 3.88Å; H158-Y236 HydrophobicContact CB-CE2 4.16Å; H158-Y236 AromaticContact ND1-CE2 3.8Å; L159-Y236 PolarHBondContact O-N 2.93Å; V160-Y236 CarbonylContact C-O 3.51Å; V160-Y236 WeakPolarHBondContact CA-O 3.31Å; V160-Y236 HydrophobicContact CG2-CD2 3.92Å; V160-Y236 HydrophobicContact CG2-CG 4.21Å; L161-Y236 PolarHBondContact N-O 3.41Å; Q234-Y236 HydrophobicContact CB-CE2 4.46Å; Q234-Y236 HydrophobicContact CG-CE2 3.92Å; Q234-Y236 PolarHBondContact NE2-OH 3.3Å; Q234-Y236 PolarHBondContact OE1-OH 3.44Å; Y236-Y238 HydrophobicContact CD1-CE2 4.4Å |
| 237 | L | 94 | Very high | 81.2 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 113 | 176.4 | -170.1 | 159.3 | 0 | 0 | 0 | 108.6 | I41 V42 G43 L161 A164 V246 L249 | I41-L237 PolarHBondContact O-N 3.02Å; V42-L237 CarbonylContact C-O 3.47Å; V42-L237 VanDerWaalsContact CA-O 3.3Å; V42-L237 WeakPolarHBondContact CA-O 2.94Å; V42-L237 HydrophobicContact CG1-CD2 4.3Å; G43-L237 PolarHBondContact N-O 3.46Å; L161-L237 HydrophobicContact CD1-CD1 4.5Å; A164-L237 HydrophobicContact CB-CD2 3.94Å; A164-L237 HydrophobicContact CB-CG 4.07Å; L237-V246 HydrophobicContact CD2-CG1 3.85Å; L237-L249 HydrophobicContact CD1-CD2 3.88Å; L237-L249 HydrophobicContact CD1-CG 4.08Å |
| 238 | Y | 93.9 | Very high | 82.6 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 137 | 176.6 | -77.3 | -85.5 | 0 | 0 | 0 | 110.9 | I27 S31 I41 G43 K51 A54 F55 L161 E163 A164 Y236 | I27-Y238 HydrophobicContact CD1-CE1 4.14Å; I27-Y238 HydrophobicContact CG1-CE1 3.87Å; S31-Y238 WeakPolarHBondContact CB-OH 3.39Å; S31-Y238 PolarHBondContact OG-OH 3.18Å; I41-Y238 HydrophobicContact CG2-CE2 4.43Å; G43-Y238 WeakPolarHBondContact O-CA 3.4Å; K51-Y238 HydrophobicContact CB-CD1 4.08Å; K51-Y238 HydrophobicContact CB-CE1 4.43Å; K51-Y238 HydrophobicContact CB-CG 4.47Å; K51-Y238 HydrophobicContact CD-CD1 3.79Å; K51-Y238 HydrophobicContact CD-CG 4.29Å; K51-Y238 HydrophobicContact CG-CD1 3.69Å; K51-Y238 HydrophobicContact CG-CE1 4.16Å; K51-Y238 HydrophobicContact CG-CG 4.43Å; A54-Y238 HydrophobicContact CB-CE1 4.47Å; A54-Y238 WeakPolarHBondContact CB-OH 3.38Å; F55-Y238 HydrophobicContact CB-CE2 4Å; F55-Y238 AromaticContact CD1-CD2 3.82Å; F55-Y238 HydrophobicContact CD1-CD2 3.82Å; F55-Y238 AromaticContact CD1-CE2 3.81Å; F55-Y238 HydrophobicContact CD1-CE2 3.81Å; F55-Y238 HydrophobicContact CG-CE2 4.38Å; L161-Y238 PolarHBondContact O-N 3.14Å; E163-Y238 PolarHBondContact N-O 3.36Å; A164-Y238 PolarHBondContact N-O 3.25Å; Y236-Y238 HydrophobicContact CD1-CE2 4.4Å |
| 239 | S | 91.1 | Very high | 84 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 152.5 | -176.5 | -165.9 | 0 | 0 | 0 | 0 | 110.2 | G43 I44 A45 D165 T241 | G43-S239 PolarHBondContact O-N 2.83Å; I44-S239 WeakPolarHBondContact CA-O 3.12Å; A45-S239 PolarHBondContact N-O 3.19Å; A45-S239 VanDerWaalsContact N-O 3.17Å; D165-S239 VanDerWaalsContact CB-OG 3.26Å; D165-S239 WeakPolarHBondContact CB-OG 3.02Å; D165-S239 PolarHBondContact N-OG 2.96Å; D165-S239 PolarHBondContact OD1-OG 3.37Å; D165-S239 PolarHBondContact OD2-OG 2.81Å; S239-T241 WeakPolarHBondContact CB-O 3.48Å; S239-T241 PolarHBondContact OG-N 3.47Å; S239-T241 PolarHBondContact OG-O 3.15Å |
| 240 | A | 87.3 | Confident | 84.8 | Confident | 42 Ų | 42 | 44.4 Ų | 44.4 | 35% | 0.347 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -78.2 | -33.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | I44 D165 | I44-A240 WeakPolarHBondContact CG2-O 3.37Å; D165-A240 PolarHBondContact OD2-N 3.48Å |
| 241 | T | 84.8 | Confident | 85.2 | Confident | 72 Ų | 72 | 52.1 Ų | 52.1 | 44% | 0.442 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -132.7 | 155.4 | -176.8 | 65.1 | 0 | 0 | 0 | 0 | 112.7 | D165 S239 | D165-T241 PolarHBondContact OD2-N 2.98Å; D165-T241 PolarHBondContact OD2-OG1 3.33Å; S239-T241 WeakPolarHBondContact CB-O 3.48Å; S239-T241 PolarHBondContact OG-N 3.47Å; S239-T241 PolarHBondContact OG-O 3.15Å |
| 242 | M | 82.4 | Confident | 85.6 | Confident | 51 Ų | 51 | 49.2 Ų | 49.2 | 25% | 0.251 | 24% | 0.24 | S | C | . | . | trans | -99.2 | 78.4 | 172.8 | -88.2 | -69.4 | 154.5 | 0 | 0 | 111.9 | V42 I44 V246 F260 | V42-M242 HydrophobicContact CG1-CE 3.3Å; I44-M242 HydrophobicContact CD1-CB 4.19Å; I44-M242 HydrophobicContact CD1-CE 3.8Å; I44-M242 HydrophobicContact CD1-CG 3.12Å; I44-M242 HydrophobicContact CD1-SD 4.28Å; I44-M242 HydrophobicContact CG1-CE 3.57Å; I44-M242 HydrophobicContact CG1-CG 3.76Å; M242-V246 HydrophobicContact CE-CG1 3.76Å; M242-V246 HydrophobicContact SD-CB 4.34Å; M242-V246 HydrophobicContact SD-CG1 3.62Å; M242-F260 HydrophobicContact CE-CE2 3.92Å; M242-F260 HydrophobicContact CG-CE2 4.32Å; M242-F260 HydrophobicContact SD-CE2 4.34Å | ||
| 243 | T | 84.9 | Confident | 85.6 | Confident | 37 Ų | 37 | 46.9 Ų | 46.9 | 23% | 0.227 | 23% | 0.23 | C | C | . | . | trans | -70.5 | 165.4 | 172.8 | 71.9 | 0 | 0 | 0 | 0 | 111.4 | D165 D245 V246 N247 | D165-T243 HydrophobicContact CB-CG2 4.25Å; T243-D245 PolarHBondContact O-N 2.94Å; T243-V246 PolarHBondContact O-N 2.67Å; T243-V246 WeakPolarHBondContact OG1-CG2 3.28Å; T243-V246 PolarHBondContact OG1-N 3.47Å; T243-N247 PolarHBondContact O-N 3.2Å; T243-N247 PolarHBondContact O-ND2 3.17Å | ||
| 244 | K | 81.8 | Confident | 85.3 | Confident | 184 Ų | 184 | 47.4 Ų | 47.4 | 80% | 0.8 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -58.8 | -35.4 | 175.2 | -71.6 | -179.5 | -179.5 | 174.2 | 0 | 111.7 | N247 K248 | K244-N247 WeakPolarHBondContact O-CB 2.84Å; K244-N247 PolarHBondContact O-N 3.39Å; K244-K248 PolarHBondContact O-N 3.06Å |
| 245 | D | 83 | Confident | 84.9 | Confident | 82 Ų | 82 | 47 Ų | 47 | 44% | 0.439 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -72.4 | -41.4 | 179.8 | -60.7 | -49.7 | 0 | 0 | 0 | 111.6 | L168 T243 N247 K248 L249 | L168-D245 HydrophobicContact CB-CB 4.38Å; L168-D245 VanDerWaalsContact CD1-C 3.49Å; L168-D245 HydrophobicContact CD1-CB 3.9Å; T243-D245 PolarHBondContact O-N 2.94Å; D245-N247 VanDerWaalsContact C-N 3.27Å; D245-N247 PolarHBondContact O-N 3.47Å; D245-K248 WeakPolarHBondContact O-CA 3.45Å; D245-K248 WeakPolarHBondContact O-CB 3.4Å; D245-K248 PolarHBondContact O-N 3.14Å; D245-L249 WeakPolarHBondContact O-CB 3.24Å; D245-L249 PolarHBondContact O-N 3.42Å |
| 246 | V | 82.9 | Confident | 84.1 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60 | -40.7 | 171.8 | 177 | 0 | 0 | 0 | 0 | 110.7 | D165 L168 L237 M242 T243 K248 L249 R250 | D165-V246 HydrophobicContact CB-CG2 3.83Å; L168-V246 HydrophobicContact CD1-CB 4.41Å; L168-V246 HydrophobicContact CD1-CG2 3.84Å; L237-V246 HydrophobicContact CD2-CG1 3.85Å; M242-V246 HydrophobicContact CE-CG1 3.76Å; M242-V246 HydrophobicContact SD-CB 4.34Å; M242-V246 HydrophobicContact SD-CG1 3.62Å; T243-V246 PolarHBondContact O-N 2.67Å; T243-V246 WeakPolarHBondContact OG1-CG2 3.28Å; T243-V246 PolarHBondContact OG1-N 3.47Å; V246-K248 VanDerWaalsContact C-N 3.3Å; V246-K248 PolarHBondContact O-N 3.44Å; V246-L249 PolarHBondContact O-N 3.17Å; V246-R250 VanDerWaalsContact O-CB 3.3Å; V246-R250 WeakPolarHBondContact O-CB 3.48Å; V246-R250 PolarHBondContact O-N 2.79Å |
| 247 | N | 83.9 | Confident | 83.3 | Confident | 44 Ų | 44 | 53.4 Ų | 53.4 | 24% | 0.235 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.6 | -32.1 | 174.6 | -80.6 | -63.6 | 0 | 0 | 0 | 113.5 | T243 K244 D245 R250 R251 | T243-N247 PolarHBondContact O-N 3.2Å; T243-N247 PolarHBondContact O-ND2 3.17Å; K244-N247 WeakPolarHBondContact O-CB 2.84Å; K244-N247 PolarHBondContact O-N 3.39Å; D245-N247 VanDerWaalsContact C-N 3.27Å; D245-N247 PolarHBondContact O-N 3.47Å; N247-R250 PolarHBondContact OD1-NH2 3.4Å; N247-R251 WeakPolarHBondContact O-CG 3.03Å; N247-R251 PolarHBondContact O-N 2.79Å; N247-R251 PolarHBondContact O-NE 3.34Å |
| 248 | K | 82.3 | Confident | 82.9 | Confident | 128 Ų | 128 | 53.8 Ų | 53.8 | 56% | 0.557 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -71.9 | -46.4 | 174.2 | -173.8 | -173.5 | 175.2 | -166.1 | 0 | 110.4 | K244 D245 V246 R250 R251 A252 | K244-K248 PolarHBondContact O-N 3.06Å; D245-K248 WeakPolarHBondContact O-CA 3.45Å; D245-K248 WeakPolarHBondContact O-CB 3.4Å; D245-K248 PolarHBondContact O-N 3.14Å; V246-K248 VanDerWaalsContact C-N 3.3Å; V246-K248 PolarHBondContact O-N 3.44Å; K248-R250 PolarHBondContact O-N 2.86Å; K248-R251 PolarHBondContact O-N 3.44Å; K248-A252 WeakPolarHBondContact O-CB 3.4Å; K248-A252 PolarHBondContact O-N 2.79Å |
| 249 | L | 83.6 | Confident | 82.6 | Confident | 6 Ų | 6 | 53.8 Ų | 53.8 | 3% | 0.031 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -56.9 | -49.3 | 175.5 | -177.7 | 65.8 | 0 | 0 | 0 | 111.1 | L161 A164 L168 I176 L180 L237 D245 V246 R251 A252 A253 | L161-L249 HydrophobicContact CD1-CD2 3.93Å; A164-L249 HydrophobicContact CB-CD2 4.43Å; L168-L249 HydrophobicContact CD1-CB 4.05Å; L168-L249 HydrophobicContact CD1-CD2 3.86Å; L168-L249 HydrophobicContact CD2-CD2 4.2Å; L168-L249 HydrophobicContact CG-CD2 4.24Å; I176-L249 HydrophobicContact CG2-CD1 3.73Å; L180-L249 HydrophobicContact CD1-CD1 3.38Å; L237-L249 HydrophobicContact CD1-CD2 3.88Å; L237-L249 HydrophobicContact CD1-CG 4.08Å; D245-L249 WeakPolarHBondContact O-CB 3.24Å; D245-L249 PolarHBondContact O-N 3.42Å; V246-L249 PolarHBondContact O-N 3.17Å; L249-R251 VanDerWaalsContact C-N 3.33Å; L249-R251 PolarHBondContact O-N 2.89Å; L249-A252 PolarHBondContact O-N 3.24Å; L249-A253 WeakPolarHBondContact O-CB 3.46Å; L249-A253 PolarHBondContact O-N 3.31Å |
| 250 | R | 82.6 | Confident | 82.5 | Confident | 77 Ų | 77 | 55.6 Ų | 55.6 | 29% | 0.291 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -49.9 | -51.2 | 174.6 | -174.1 | -172.7 | 68 | -176.8 | -3 | 112.1 | V42 V246 N247 K248 A252 L254 | V42-R250 HydrophobicContact CG2-CG 4.01Å; V246-R250 VanDerWaalsContact O-CB 3.3Å; V246-R250 WeakPolarHBondContact O-CB 3.48Å; V246-R250 PolarHBondContact O-N 2.79Å; N247-R250 PolarHBondContact OD1-NH2 3.4Å; K248-R250 PolarHBondContact O-N 2.86Å; R250-A252 VanDerWaalsContact C-N 3.25Å; R250-A252 PolarHBondContact O-N 3.42Å; R250-L254 HydrophobicContact CB-CD1 4.43Å; R250-L254 HydrophobicContact CG-CD1 3.65Å; R250-L254 HydrophobicContact CG-CG 4.48Å; R250-L254 WeakPolarHBondContact O-CB 3.45Å; R250-L254 PolarHBondContact O-N 3.45Å |
| 251 | R | 77.8 | Confident | 82.5 | Confident | 188 Ų | 188 | 53.7 Ų | 53.7 | 71% | 0.709 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -67.7 | -24.4 | 180 | -73.2 | -178 | -66.6 | 159.2 | -1 | 113.4 | N247 K248 L249 | N247-R251 WeakPolarHBondContact O-CG 3.03Å; N247-R251 PolarHBondContact O-N 2.79Å; N247-R251 PolarHBondContact O-NE 3.34Å; K248-R251 PolarHBondContact O-N 3.44Å; L249-R251 VanDerWaalsContact C-N 3.33Å; L249-R251 PolarHBondContact O-N 2.89Å |
| 252 | A | 77.6 | Confident | 82.5 | Confident | 37 Ų | 37 | 51.6 Ų | 51.6 | 31% | 0.306 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -88.3 | -34.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | K248 L249 R250 | K248-A252 WeakPolarHBondContact O-CB 3.4Å; K248-A252 PolarHBondContact O-N 2.79Å; L249-A252 PolarHBondContact O-N 3.24Å; R250-A252 VanDerWaalsContact C-N 3.25Å; R250-A252 PolarHBondContact O-N 3.42Å |
| 253 | A | 79.6 | Confident | 82.2 | Confident | 5 Ų | 5 | 50.9 Ų | 50.9 | 4% | 0.041 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -96.8 | -38.9 | -169.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | L180 H232 I235 L249 | L180-A253 HydrophobicContact CD1-CB 3.75Å; L180-A253 HydrophobicContact CD2-CB 4.01Å; H232-A253 PolarHBondContact NE2-O 2.81Å; I235-A253 HydrophobicContact CD1-CB 4.24Å; I235-A253 WeakPolarHBondContact CD1-O 3.2Å; L249-A253 WeakPolarHBondContact O-CB 3.46Å; L249-A253 PolarHBondContact O-N 3.31Å |
| 254 | L | 81.3 | Confident | 81.7 | Confident | 16 Ų | 16 | 56 Ų | 56 | 8% | 0.084 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -95 | 158.7 | -163.8 | -53.5 | -178.6 | 0 | 0 | 0 | 113.6 | D40 V42 I235 R250 A258 | D40-L254 HydrophobicContact CB-CB 4.44Å; D40-L254 HydrophobicContact CB-CD2 4.23Å; D40-L254 WeakPolarHBondContact OD2-CA 3.36Å; V42-L254 HydrophobicContact CG2-CD1 3.09Å; I235-L254 HydrophobicContact CB-CD2 3.47Å; I235-L254 VanDerWaalsContact CB-CD2 3.47Å; I235-L254 HydrophobicContact CD1-CD2 4.31Å; I235-L254 HydrophobicContact CG1-CD2 4.38Å; I235-L254 HydrophobicContact CG2-CD2 3.4Å; R250-L254 HydrophobicContact CB-CD1 4.43Å; R250-L254 HydrophobicContact CG-CD1 3.65Å; R250-L254 HydrophobicContact CG-CG 4.48Å; R250-L254 WeakPolarHBondContact O-CB 3.45Å; R250-L254 PolarHBondContact O-N 3.45Å; L254-A258 HydrophobicContact CB-CB 3.95Å; L254-A258 HydrophobicContact CD1-CB 4.16Å |
| 255 | S | 80.5 | Confident | 80.9 | Confident | 16 Ų | 16 | 51.1 Ų | 51.1 | 11% | 0.112 | 26% | 0.258 | C | S | . | . | trans | -66.5 | 159.2 | 171.6 | 75.5 | 0 | 0 | 0 | 0 | 112.6 | D40 P186 N257 A258 | D40-S255 WeakPolarHBondContact OD2-CB 3.36Å; D40-S255 PolarHBondContact OD2-N 3.15Å; D40-S255 PolarHBondContact OD2-OG 2.78Å; P186-S255 VanDerWaalsContact CG-CA 3.49Å; S255-N257 VanDerWaalsContact CB-OD1 3.24Å; S255-N257 WeakPolarHBondContact CB-OD1 3.13Å; S255-N257 PolarHBondContact O-N 3Å; S255-N257 PolarHBondContact OG-OD1 2.77Å; S255-A258 VanDerWaalsContact O-CB 3.32Å; S255-A258 WeakPolarHBondContact O-CB 3.23Å; S255-A258 PolarHBondContact O-N 2.98Å; S255-A258 PolarHBondContact OG-N 3.37Å | ||
| 256 | S | 75.2 | Confident | 79.7 | Confident | 61 Ų | 61 | 54.3 Ų | 54.3 | 43% | 0.427 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -22.9 | 178 | 53.9 | 0 | 0 | 0 | 0 | 113.3 | N271 | S256-N271 WeakPolarHBondContact O-CB 3.19Š|
| 257 | N | 79.6 | Confident | 78.5 | Confident | 75 Ų | 75 | 58.4 Ų | 58.4 | 40% | 0.401 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | 15.7 | 177.5 | 67.2 | -36.6 | 0 | 0 | 0 | 112.9 | S255 V259 | S255-N257 VanDerWaalsContact CB-OD1 3.24Å; S255-N257 WeakPolarHBondContact CB-OD1 3.13Å; S255-N257 PolarHBondContact O-N 3Å; S255-N257 PolarHBondContact OG-OD1 2.77Å; N257-V259 PolarHBondContact O-N 2.78Å |
| 258 | A | 84.6 | Confident | 77.2 | Confident | 9 Ų | 9 | 59.6 Ų | 59.6 | 7% | 0.074 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -58 | 136.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111 | D40 L254 S255 | D40-A258 HydrophobicContact CB-CB 3.65Å; D40-A258 CarbonylContact O-C 3.55Å; D40-A258 VanDerWaalsContact O-CA 3.3Å; D40-A258 WeakPolarHBondContact O-CA 3.26Å; L254-A258 HydrophobicContact CB-CB 3.95Å; L254-A258 HydrophobicContact CD1-CB 4.16Å; S255-A258 VanDerWaalsContact O-CB 3.32Å; S255-A258 WeakPolarHBondContact O-CB 3.23Å; S255-A258 PolarHBondContact O-N 2.98Å; S255-A258 PolarHBondContact OG-N 3.37Å |
| 259 | V | 87.5 | Confident | 75.9 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 128.7 | -178.3 | -176.5 | 0 | 0 | 0 | 0 | 109.2 | F34 K39 D40 I41 V42 N257 I261 I268 | F34-V259 HydrophobicContact CB-CB 4.47Å; F34-V259 HydrophobicContact CB-CG2 3.98Å; F34-V259 HydrophobicContact CD1-CG2 4.2Å; F34-V259 HydrophobicContact CD2-CG1 3.95Å; F34-V259 HydrophobicContact CE2-CG1 4.3Å; F34-V259 HydrophobicContact CG-CG1 4.16Å; F34-V259 HydrophobicContact CG-CG2 4.02Å; K39-V259 HydrophobicContact CB-CG2 4.11Å; K39-V259 HydrophobicContact CD-CG2 3.68Å; D40-V259 PolarHBondContact O-N 3.06Å; I41-V259 HydrophobicContact CD1-CB 4.14Å; V42-V259 PolarHBondContact N-O 3.44Å; N257-V259 PolarHBondContact O-N 2.78Å; V259-I261 HydrophobicContact CG1-CD1 4.32Å; V259-I261 HydrophobicContact CG1-CG1 4.01Å; V259-I268 HydrophobicContact CG1-CG2 3.92Å |
| 260 | F | 88.5 | Confident | 74.3 | Confident | 38 Ų | 38 | 62.3 Ų | 62.3 | 17% | 0.167 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 127.8 | 177.6 | 179.8 | -91.1 | 0 | 0 | 0 | 110.8 | V42 I44 M242 N262 H269 | V42-F260 HydrophobicContact CB-CD2 4.04Å; V42-F260 HydrophobicContact CG1-CD2 3.73Å; V42-F260 HydrophobicContact CG1-CE2 4.12Å; I44-F260 HydrophobicContact CD1-CE1 4.26Å; I44-F260 HydrophobicContact CD1-CE2 3.55Å; I44-F260 HydrophobicContact CD1-CZ 3.25Å; I44-F260 HydrophobicContact CG1-CE2 4.29Å; I44-F260 HydrophobicContact CG1-CZ 4.33Å; M242-F260 HydrophobicContact CE-CE2 3.92Å; M242-F260 HydrophobicContact CG-CE2 4.32Å; M242-F260 HydrophobicContact SD-CE2 4.34Å; F260-N262 HydrophobicContact CE1-CB 3.98Å; F260-N262 HydrophobicContact CZ-CB 4.47Å; F260-H269 HydrophobicContact CB-CB 4.47Å; F260-H269 PolarHBondContact N-O 3.15Å |
| 261 | I | 88.3 | Confident | 72.3 | Confident | 2 Ų | 2 | 64.3 Ų | 64.3 | 1% | 0.01 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 121.8 | -174.7 | -54.2 | 162.4 | 0 | 0 | 0 | 107.8 | I27 N30 I41 V42 G43 I44 V259 | I27-I261 HydrophobicContact CD1-CB 4.25Å; I27-I261 HydrophobicContact CD1-CG2 3.64Å; N30-I261 HydrophobicContact CB-CD1 4.45Å; N30-I261 HydrophobicContact CB-CG1 4.49Å; N30-I261 HydrophobicContact CB-CG2 3.53Å; N30-I261 WeakPolarHBondContact O-CD1 3.3Å; I41-I261 HydrophobicContact CG2-CD1 3.98Å; V42-I261 PolarHBondContact O-N 3.19Å; G43-I261 CarbonylContact C-O 3.57Å; G43-I261 WeakPolarHBondContact CA-O 3.4Å; I44-I261 PolarHBondContact N-O 2.54Å; V259-I261 HydrophobicContact CG1-CD1 4.32Å; V259-I261 HydrophobicContact CG1-CG1 4.01Å |
| 262 | N | 85.7 | Confident | 70.2 | Confident | 28 Ų | 28 | 63.1 Ų | 63.1 | 15% | 0.15 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 126.7 | 173 | -178.3 | 7 | 0 | 0 | 0 | 107.7 | I44 F260 N264 D265 | I44-N262 HydrophobicContact CD1-CB 4.38Å; F260-N262 HydrophobicContact CE1-CB 3.98Å; F260-N262 HydrophobicContact CZ-CB 4.47Å; N262-N264 PolarHBondContact O-N 3.4Å; N262-N264 PolarHBondContact OD1-N 2.85Å; N262-D265 HydrophobicContact CB-CB 4.14Å; N262-D265 PolarHBondContact ND2-OD2 2.95Å; N262-D265 PolarHBondContact O-N 2.94Å; N262-D265 VanDerWaalsContact O-O 3.05Å |
| 263 | E | 75.8 | Confident | 67.9 | Low | 36 Ų | 36 | 64.6 Ų | 64.6 | 17% | 0.168 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -24.1 | -179 | -174.4 | 167.5 | -155.7 | 0 | 0 | 113.1 | K26 I44 A45 S49 | K26-E263 HydrophobicContact CB-CG 4.25Å; K26-E263 HydrophobicContact CD-CG 4.25Å; I44-E263 PolarHBondContact O-N 2.97Å; A45-E263 HydrophobicContact CB-CB 4.21Å; A45-E263 VanDerWaalsContact CB-OE2 3.31Å; A45-E263 WeakPolarHBondContact CB-OE2 3.49Å; S49-E263 VanDerWaalsContact CB-OE2 3.25Å; S49-E263 WeakPolarHBondContact CB-OE2 3.05Å |
| 264 | N | 72.9 | Confident | 65.2 | Low | 145 Ų | 145 | 71.2 Ų | 71.2 | 78% | 0.775 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | -13.9 | -179.7 | -65.4 | -26.2 | 0 | 0 | 0 | 114.4 | N262 | N262-N264 PolarHBondContact O-N 3.4Å; N262-N264 PolarHBondContact OD1-N 2.85Å |
| 265 | D | 65.2 | Low | 62.6 | Low | 81 Ų | 81 | 76 Ų | 76 | 43% | 0.433 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 117.2 | 177.2 | -71.5 | -46.8 | 0 | 0 | 0 | 109.8 | N262 T267 | N262-D265 HydrophobicContact CB-CB 4.14Å; N262-D265 PolarHBondContact ND2-OD2 2.95Å; N262-D265 PolarHBondContact O-N 2.94Å; N262-D265 VanDerWaalsContact O-O 3.05Å; D265-T267 PolarHBondContact O-N 3.2Å; D265-T267 VanDerWaalsContact O-N 3.09Å |
| 266 | D | 57.8 | Low | 60 | Low | 149 Ų | 149 | 84.3 Ų | 84.3 | 80% | 0.797 | 46% | 0.461 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.4 | -5.3 | 175.2 | -67.9 | -35.4 | 0 | 0 | 0 | 113 | ||
| 267 | T | 57.9 | Low | 57.6 | Low | 85 Ų | 85 | 88.6 Ų | 88.6 | 52% | 0.521 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 106.6 | 178.2 | 51 | 0 | 0 | 0 | 0 | 112 | D265 H269 | D265-T267 PolarHBondContact O-N 3.2Å; D265-T267 VanDerWaalsContact O-N 3.09Å; T267-H269 PolarHBondContact O-N 2.9Å |
| 268 | I | 56.4 | Low | 55.1 | Low | 69 Ų | 69 | 92.5 Ų | 92.5 | 35% | 0.354 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 116.9 | 170.8 | -57.8 | 171.1 | 0 | 0 | 0 | 109.1 | F34 V259 N270 | F34-I268 HydrophobicContact CE2-CD1 4.17Å; F34-I268 HydrophobicContact CE2-CG2 4.4Å; F34-I268 HydrophobicContact CZ-CD1 4.45Å; F34-I268 HydrophobicContact CZ-CG2 4.48Å; V259-I268 HydrophobicContact CG1-CG2 3.92Å; I268-N270 PolarHBondContact O-N 3.37Å |
| 269 | H | 55.1 | Low | 52.3 | Low | 115 Ų | 115 | 98.9 Ų | 98.9 | 53% | 0.532 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 101.8 | 176.3 | -76.9 | -59.9 | 0 | 0 | 0 | 111 | F260 T267 | F260-H269 HydrophobicContact CB-CB 4.47Å; F260-H269 PolarHBondContact N-O 3.15Å; T267-H269 PolarHBondContact O-N 2.9Å |
| 270 | N | 50.6 | Low | 49.3 | Very low | 76 Ų | 76 | 108.1 Ų | 108.1 | 41% | 0.406 | 57% | 0.573 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -83.8 | 126 | 162.8 | -74.6 | -21.6 | 0 | 0 | 0 | 109.1 | I268 E272 | I268-N270 PolarHBondContact O-N 3.37Å; N270-E272 PolarHBondContact O-N 3.23Å |
| 271 | N | 40.9 | Very low | 46.3 | Very low | 120 Ų | 120 | 113.7 Ų | 113.7 | 64% | 0.642 | 60% | 0.604 | S | S | * | * | trans | -72.7 | 26.6 | 178.9 | -97.6 | -24.8 | 0 | 0 | 0 | 114.3 | S256 G273 | S256-N271 WeakPolarHBondContact O-CB 3.19Å; N271-G273 PolarHBondContact O-N 3.18Å | ||
| 272 | E | 33.8 | Very low | 43.3 | Very low | 162 Ų | 162 | 120.2 Ų | 120.2 | 76% | 0.757 | 64% | 0.644 | S | S | * | * | trans | -73.1 | 99.9 | 172.2 | -71.1 | -167.8 | 165.9 | 0 | 0 | 109.2 | N270 N274 | N270-E272 PolarHBondContact O-N 3.23Å; E272-N274 PolarHBondContact O-N 3.34Å | ||
| 273 | G | 28.3 | Very low | 40.2 | Very low | 69 Ų | 69 | 127.3 Ų | 127.3 | 71% | 0.711 | 68% | 0.679 | S | S | * | * | trans | -56.5 | 109.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | N271 P275 | N271-G273 PolarHBondContact O-N 3.18Å; G273-P275 WeakPolarHBondContact O-CD 3.43Å; G273-P275 VanDerWaalsContact O-N 3.07Å | ||
| 274 | N | 22.9 | Very low | 37.7 | Very low | 144 Ų | 144 | 128.7 Ų | 128.7 | 77% | 0.77 | 70% | 0.703 | S | S | * | * | trans | -46.8 | 104.4 | 176 | -163 | 5.4 | 0 | 0 | 0 | 111.5 | E272 K276 | E272-N274 PolarHBondContact O-N 3.34Å; N274-K276 PolarHBondContact O-N 3.21Å | ||
| 275 | P | 27.9 | Very low | 35.2 | Very low | 115 Ų | 115 | 127.7 Ų | 127.7 | 75% | 0.747 | 71% | 0.706 | S | S | * | * | trans | -80.8 | 110 | 167.1 | 23.1 | -8.9 | 0 | 0 | 0 | 106.7 | G273 N277 | G273-P275 WeakPolarHBondContact O-CD 3.43Å; G273-P275 VanDerWaalsContact O-N 3.07Å; P275-N277 PolarHBondContact O-N 2.96Å | ||
| 276 | K | 24.5 | Very low | 33.1 | Very low | 191 Ų | 191 | 130.6 Ų | 130.6 | 83% | 0.83 | 72% | 0.721 | S | S | * | * | trans | -49.8 | 130.2 | 172.8 | -70.6 | -179.8 | 173.2 | -176.4 | 0 | 110.1 | N274 | N274-K276 PolarHBondContact O-N 3.21Š| ||
| 277 | N | 26.1 | Very low | 31.4 | Very low | 151 Ų | 151 | 131.3 Ų | 131.3 | 81% | 0.807 | 72% | 0.724 | S | S | * | * | trans | 12.3 | 117.2 | 154.8 | -65.6 | -11.1 | 0 | 0 | 0 | 116.5 | P275 | P275-N277 PolarHBondContact O-N 2.96Š| ||
| 278 | D | 26.2 | Very low | 29.8 | Very low | 157 Ų | 157 | 134.2 Ų | 134.2 | 84% | 0.84 | 74% | 0.735 | S | S | * | * | trans | -152.1 | 116.4 | 135.3 | -86.1 | -31.2 | 0 | 0 | 0 | 109.2 | ||||
| 279 | D | 25.8 | Very low | 28.1 | Very low | 143 Ų | 143 | 139.2 Ų | 139.2 | 77% | 0.765 | 76% | 0.757 | S | S | * | * | trans | 44.6 | 108.4 | 153.1 | -64.7 | -26.3 | 0 | 0 | 0 | 122.1 | N281 | D279-N281 PolarHBondContact O-N 3.44Š| ||
| 280 | K | 25.7 | Very low | 26.7 | Very low | 194 Ų | 194 | 142.1 Ų | 142.1 | 84% | 0.843 | 77% | 0.771 | S | S | * | * | trans | 1.3 | 89.1 | 136.8 | -64.3 | -178.4 | 179 | 178.4 | 0 | 115.1 | ||||
| 281 | N | 25 | Very low | 25.4 | Very low | 156 Ų | 156 | 147 Ų | 147 | 83% | 0.834 | 79% | 0.791 | S | S | * | * | trans | -124.8 | 90.4 | 146.8 | -101.6 | -23.3 | 0 | 0 | 0 | 108.4 | D279 M283 | D279-N281 PolarHBondContact O-N 3.44Å; N281-M283 PolarHBondContact O-N 3.44Å | ||
| 282 | T | 24.1 | Very low | 24.5 | Very low | 138 Ų | 138 | 150.2 Ų | 150.2 | 85% | 0.847 | 80% | 0.802 | S | S | * | * | trans | -66.2 | 74.1 | 173.5 | -39.7 | 0 | 0 | 0 | 0 | 109.2 | G284 | T282-G284 PolarHBondContact O-N 3.13Š| ||
| 283 | M | 21.9 | Very low | 24 | Very low | 178 Ų | 178 | 147.3 Ų | 147.3 | 88% | 0.877 | 80% | 0.799 | S | S | * | * | trans | -77 | 95.9 | 162.4 | -89.4 | -89.8 | 174.5 | 0 | 0 | 106.8 | N281 C285 | N281-M283 PolarHBondContact O-N 3.44Å; M283-C285 PolarHBondContact O-N 3.1Å | ||
| 284 | G | 21.8 | Very low | 23.9 | Very low | 65 Ų | 65 | 151 Ų | 151 | 67% | 0.67 | 80% | 0.803 | S | S | * | * | trans | -54 | 106.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | T282 N286 | T282-G284 PolarHBondContact O-N 3.13Å; G284-N286 PolarHBondContact O-N 3.34Å; G284-N286 VanDerWaalsContact O-N 3.13Å | ||
| 285 | C | 20.7 | Very low | 24.1 | Very low | 123 Ų | 123 | 149 Ų | 149 | 83% | 0.831 | 80% | 0.8 | S | S | * | * | trans | -72.1 | 103.6 | 165.2 | -168.7 | 0 | 0 | 0 | 0 | 106.5 | M283 L287 | M283-C285 PolarHBondContact O-N 3.1Å; C285-L287 PolarHBondContact O-N 3.32Å; C285-L287 VanDerWaalsContact O-N 3.12Å | ||
| 286 | N | 21.8 | Very low | 23.9 | Very low | 143 Ų | 143 | 148.5 Ų | 148.5 | 77% | 0.765 | 80% | 0.795 | S | S | * | * | trans | -50.1 | 118.9 | 172.8 | -77.8 | -32.1 | 0 | 0 | 0 | 109 | G284 I288 | G284-N286 PolarHBondContact O-N 3.34Å; G284-N286 VanDerWaalsContact O-N 3.13Å; N286-I288 PolarHBondContact O-N 2.84Å | ||
| 287 | L | 22.2 | Very low | 24.1 | Very low | 163 Ų | 163 | 144.5 Ų | 144.5 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | trans | -54.7 | 94 | 162.4 | -89.2 | 85.9 | 0 | 0 | 0 | 107.6 | C285 Q289 | C285-L287 PolarHBondContact O-N 3.32Å; C285-L287 VanDerWaalsContact O-N 3.12Å; L287-Q289 PolarHBondContact O-N 2.86Å | ||
| 288 | I | 24 | Very low | 24.1 | Very low | 146 Ų | 146 | 145.6 Ų | 145.6 | 75% | 0.749 | 78% | 0.78 | S | S | * | * | trans | -66.2 | 100.4 | 154.1 | -63.4 | 174.8 | 0 | 0 | 0 | 103.6 | N286 Q290 | N286-I288 PolarHBondContact O-N 2.84Å; I288-Q290 PolarHBondContact O-N 3.29Å | ||
| 289 | Q | 21.5 | Very low | 24.4 | Very low | 175 Ų | 175 | 141 Ų | 141 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | trans | -50.6 | 93.1 | 161 | -79.8 | 171.5 | -12.4 | 0 | 0 | 106.7 | L287 Q291 | L287-Q289 PolarHBondContact O-N 2.86Å; Q289-Q291 PolarHBondContact O-N 3.47Å | ||
| 290 | Q | 24.5 | Very low | 24.5 | Very low | 176 Ų | 176 | 139.6 Ų | 139.6 | 82% | 0.822 | 75% | 0.748 | S | S | * | * | trans | -64.7 | 96 | 168.6 | -79.7 | 178.1 | -6.2 | 0 | 0 | 105.5 | I288 Q292 | I288-Q290 PolarHBondContact O-N 3.29Å; Q290-Q292 PolarHBondContact O-N 2.96Å; Q290-Q292 VanDerWaalsContact O-N 3.13Å | ||
| 291 | Q | 23 | Very low | 24.7 | Very low | 177 Ų | 177 | 137.4 Ų | 137.4 | 83% | 0.827 | 74% | 0.738 | S | S | * | * | trans | -44.5 | 122.4 | 157.9 | -71.9 | 174.4 | -1 | 0 | 0 | 106.5 | Q289 S293 | Q289-Q291 PolarHBondContact O-N 3.47Å; Q291-S293 PolarHBondContact O-N 3.2Å | ||
| 292 | Q | 23.3 | Very low | 24.8 | Very low | 189 Ų | 189 | 137.9 Ų | 137.9 | 88% | 0.883 | 74% | 0.735 | S | S | * | * | trans | -56.7 | 75.4 | 170.4 | -69.3 | 167.7 | -8.3 | 0 | 0 | 108.6 | Q290 N294 | Q290-Q292 PolarHBondContact O-N 2.96Å; Q290-Q292 VanDerWaalsContact O-N 3.13Å; Q292-N294 VanDerWaalsContact C-N 3.32Å; Q292-N294 PolarHBondContact O-N 2.98Å; Q292-N294 VanDerWaalsContact O-N 3.14Å | ||
| 293 | S | 23.9 | Very low | 25.4 | Very low | 100 Ų | 100 | 134.9 Ų | 134.9 | 70% | 0.699 | 71% | 0.713 | S | S | * | * | trans | -77.8 | 98.9 | 161.9 | 56.4 | 0 | 0 | 0 | 0 | 104.5 | Q291 S295 | Q291-S293 PolarHBondContact O-N 3.2Å; S293-S295 PolarHBondContact O-N 2.92Å | ||
| 294 | N | 25.3 | Very low | 26 | Very low | 146 Ų | 146 | 135.1 Ų | 135.1 | 78% | 0.781 | 71% | 0.71 | S | S | * | * | trans | -51.5 | 83.4 | 158.6 | -76.1 | -28.3 | 0 | 0 | 0 | 107.3 | Q292 T296 | Q292-N294 VanDerWaalsContact C-N 3.32Å; Q292-N294 PolarHBondContact O-N 2.98Å; Q292-N294 VanDerWaalsContact O-N 3.14Å; N294-T296 PolarHBondContact O-N 2.83Å; N294-T296 PolarHBondContact O-OG1 2.88Å | ||
| 295 | S | 26.1 | Very low | 27.3 | Very low | 103 Ų | 103 | 135 Ų | 135 | 72% | 0.72 | 70% | 0.696 | S | S | * | * | trans | -72.2 | 71.2 | 167.5 | 56.2 | 0 | 0 | 0 | 0 | 106.3 | S293 L297 | S293-S295 PolarHBondContact O-N 2.92Å; S295-L297 VanDerWaalsContact C-N 3.31Å; S295-L297 PolarHBondContact O-N 2.6Å | ||
| 296 | T | 24.8 | Very low | 29 | Very low | 104 Ų | 104 | 131.3 Ų | 131.3 | 64% | 0.638 | 68% | 0.678 | S | S | * | * | trans | -48.9 | 110.3 | 152.3 | 28.5 | 0 | 0 | 0 | 0 | 104.4 | N294 K298 | N294-T296 PolarHBondContact O-N 2.83Å; N294-T296 PolarHBondContact O-OG1 2.88Å; T296-K298 PolarHBondContact O-N 3.18Å | ||
| 297 | L | 28.7 | Very low | 31.3 | Very low | 107 Ų | 107 | 126.1 Ų | 126.1 | 56% | 0.56 | 65% | 0.649 | S | S | * | * | trans | -53.6 | 90.1 | 166.4 | -84.8 | 149.4 | 0 | 0 | 0 | 105.2 | I9 S295 L299 | I9-L297 HydrophobicContact CB-CD1 4.49Å; I9-L297 HydrophobicContact CG2-CD1 3.7Å; S295-L297 VanDerWaalsContact C-N 3.31Å; S295-L297 PolarHBondContact O-N 2.6Å; L297-L299 PolarHBondContact O-N 2.82Å | ||
| 298 | K | 25.4 | Very low | 33.2 | Very low | 175 Ų | 175 | 120.4 Ų | 120.4 | 76% | 0.761 | 62% | 0.621 | S | S | * | * | trans | -69.8 | 80.5 | 168.1 | -77 | -175.7 | 179.1 | 178.8 | 0 | 104 | T296 N300 | T296-K298 PolarHBondContact O-N 3.18Å; K298-N300 VanDerWaalsContact C-N 3.32Å; K298-N300 PolarHBondContact O-N 2.88Å | ||
| 299 | L | 32.2 | Very low | 35 | Very low | 61 Ų | 61 | 121 Ų | 121 | 32% | 0.319 | 62% | 0.624 | S | S | . | * | trans | -52.5 | 109.7 | 160.1 | -156.5 | 84.3 | 0 | 0 | 0 | 104.2 | L101 L297 K301 | L101-L299 HydrophobicContact CD1-CD2 3.16Å; L101-L299 HydrophobicContact CD2-CD2 3.97Å; L101-L299 HydrophobicContact CG-CD2 4.17Å; L297-L299 PolarHBondContact O-N 2.82Å; L299-K301 PolarHBondContact O-N 2.86Å | ||
| 300 | N | 28.1 | Very low | 37.2 | Very low | 113 Ų | 113 | 114.2 Ų | 114.2 | 60% | 0.604 | 60% | 0.602 | S | S | * | * | trans | -54.9 | 97.7 | -163.6 | -83.5 | -46.5 | 0 | 0 | 0 | 110 | K298 H302 L303 | K298-N300 VanDerWaalsContact C-N 3.32Å; K298-N300 PolarHBondContact O-N 2.88Å; N300-H302 CarbonylContact O-C 3.51Å; N300-H302 PolarHBondContact O-N 2.82Å; N300-L303 HydrophobicContact CB-CD1 4.07Å; N300-L303 HydrophobicContact CB-CG 4.09Å; N300-L303 WeakPolarHBondContact O-CD1 3.32Å; N300-L303 PolarHBondContact O-N 2.77Å | ||
| 301 | K | 30.2 | Very low | 39.7 | Very low | 147 Ų | 147 | 107 Ų | 107 | 64% | 0.639 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.6 | -10.6 | -178.2 | -76 | -174.4 | 174.7 | 178.8 | 0 | 113.2 | E100 L299 | E100-K301 IonicContact OE1-NZ 2.82Å; E100-K301 PolarHBondContact OE1-NZ 3.23Å; E100-K301 WeakPolarHBondContact OE2-CE 3.33Å; E100-K301 IonicContact OE2-NZ 2.75Å; E100-K301 PolarHBondContact OE2-NZ 2.96Å; L299-K301 PolarHBondContact O-N 2.86Å |
| 302 | H | 27.9 | Very low | 42.4 | Very low | 166 Ų | 166 | 100.4 Ų | 100.4 | 77% | 0.769 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.8 | 68.3 | 165.3 | -77.3 | -75.9 | 0 | 0 | 0 | 109.9 | N300 K304 | N300-H302 CarbonylContact O-C 3.51Å; N300-H302 PolarHBondContact O-N 2.82Å; H302-K304 PolarHBondContact O-N 2.79Å |
| 303 | L | 35.9 | Very low | 45.5 | Very low | 75 Ų | 75 | 92.8 Ų | 92.8 | 39% | 0.393 | 51% | 0.506 | S | S | . | . | trans | -66.5 | 73.2 | 157.5 | -92.4 | 129.5 | 0 | 0 | 0 | 107.6 | N300 T305 P474 | N300-L303 HydrophobicContact CB-CD1 4.07Å; N300-L303 HydrophobicContact CB-CG 4.09Å; N300-L303 WeakPolarHBondContact O-CD1 3.32Å; N300-L303 PolarHBondContact O-N 2.77Å; L303-T305 PolarHBondContact O-N 2.76Å; L303-P474 HydrophobicContact CD1-CB 4.5Å; L303-P474 HydrophobicContact CD2-CB 4.24Å | ||
| 304 | K | 34.1 | Very low | 48.5 | Very low | 184 Ų | 184 | 89.5 Ų | 89.5 | 80% | 0.8 | 48% | 0.479 | S | S | * | . | trans | -54.7 | 107 | 150.8 | -71.8 | -176.3 | 179.3 | -179.3 | 0 | 102.6 | H302 G306 | H302-K304 PolarHBondContact O-N 2.79Å; K304-G306 PolarHBondContact O-N 2.79Å | ||
| 305 | T | 49.4 | Very low | 51.6 | Low | 63 Ų | 63 | 82.6 Ų | 82.6 | 39% | 0.387 | 44% | 0.442 | S | S | . | . | trans | -59.2 | 7.8 | -180 | 52.9 | 0 | 0 | 0 | 0 | 112.7 | L303 F307 R438 P474 | L303-T305 PolarHBondContact O-N 2.76Å; T305-F307 VanDerWaalsContact O-CD2 3.25Å; T305-F307 WeakPolarHBondContact O-CD2 3.33Å; T305-F307 PolarHBondContact O-N 3.18Å; T305-R438 PolarHBondContact O-NH1 3.33Å; T305-R438 PolarHBondContact O-NH2 3.45Å; T305-P474 HydrophobicContact CG2-CG 4.45Å | ||
| 306 | G | 56.1 | Low | 54.6 | Low | 44 Ų | 44 | 78.3 Ų | 78.3 | 45% | 0.454 | 41% | 0.411 | S | S | . | . | S | Bend | trans | 61.1 | 6.4 | -175 | 0 | 0 | 0 | 0 | 0 | 112.8 | K304 R438 | K304-G306 PolarHBondContact O-N 2.79Å; G306-R438 PolarHBondContact O-NH1 3.04Å |
| 307 | F | 70.9 | Confident | 57.6 | Low | 35 Ų | 35 | 76.4 Ų | 76.4 | 15% | 0.154 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -90.3 | 148.9 | 178.8 | -67 | -58.1 | 0 | 0 | 0 | 109.9 | T305 L311 H313 Y437 V441 L472 | T305-F307 VanDerWaalsContact O-CD2 3.25Å; T305-F307 WeakPolarHBondContact O-CD2 3.33Å; T305-F307 PolarHBondContact O-N 3.18Å; F307-L311 HydrophobicContact CB-CD2 4.01Å; F307-L311 HydrophobicContact CD1-CD2 3.75Å; F307-L311 HydrophobicContact CG-CD2 4.04Å; F307-H313 AromaticContact CE2-CE1 3.69Å; F307-H313 AromaticContact CZ-CE1 3.79Å; F307-Y437 HydrophobicContact CE1-CD1 4.05Å; F307-Y437 AromaticContact CE1-CE1 3.93Å; F307-Y437 HydrophobicContact CE1-CE1 3.93Å; F307-Y437 HydrophobicContact CZ-CD1 4.24Å; F307-Y437 AromaticContact CZ-CE1 3.97Å; F307-Y437 HydrophobicContact CZ-CE1 3.97Å; F307-V441 HydrophobicContact CD1-CG2 3.78Å; F307-V441 HydrophobicContact CE1-CG2 3.67Å; F307-L472 HydrophobicContact CE1-CD2 4.44Å; F307-L472 HydrophobicContact CZ-CD2 3.82Å |
| 308 | P | 61.5 | Low | 60.5 | Low | 42 Ų | 42 | 72.4 Ų | 72.4 | 27% | 0.273 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -59.3 | 145.5 | 171.7 | -17 | 29.2 | 0 | 0 | 0 | 111.5 | G310 L311 A445 | P308-G310 PolarHBondContact O-N 3.46Å; P308-L311 WeakPolarHBondContact O-CB 3.48Å; P308-L311 PolarHBondContact O-N 2.98Å; P308-A445 HydrophobicContact CB-CB 3.92Å; P308-A445 WeakPolarHBondContact CB-O 3.32Å |
| 309 | I | 62.6 | Low | 63.4 | Low | 158 Ų | 158 | 70.7 Ų | 70.7 | 81% | 0.81 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | 131.9 | 173.2 | -61.8 | 163.2 | 0 | 0 | 0 | 107.8 | ||
| 310 | G | 66.5 | Low | 65.9 | Low | 33 Ų | 33 | 72.6 Ų | 72.6 | 34% | 0.34 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.1 | 3.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | P308 S312 T450 G451 | P308-G310 PolarHBondContact O-N 3.46Å; G310-S312 PolarHBondContact O-N 3.07Å; G310-T450 WeakPolarHBondContact O-CA 3.26Å; G310-G451 PolarHBondContact O-N 2.83Å |
| 311 | L | 77.9 | Confident | 68.7 | Low | 25 Ų | 25 | 70.3 Ų | 70.3 | 13% | 0.131 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 116.8 | 171.8 | 179.1 | 69.8 | 0 | 0 | 0 | 111.2 | F307 P308 H313 V441 T444 A445 G451 A453 | F307-L311 HydrophobicContact CB-CD2 4.01Å; F307-L311 HydrophobicContact CD1-CD2 3.75Å; F307-L311 HydrophobicContact CG-CD2 4.04Å; P308-L311 WeakPolarHBondContact O-CB 3.48Å; P308-L311 PolarHBondContact O-N 2.98Å; L311-H313 HydrophobicContact CD2-CB 4.38Å; L311-H313 HydrophobicContact CG-CB 4.32Å; L311-V441 HydrophobicContact CD1-CB 4.44Å; L311-V441 HydrophobicContact CD2-CB 3.95Å; L311-V441 HydrophobicContact CD2-CG2 3.65Å; L311-T444 HydrophobicContact CD1-CG2 3.38Å; L311-A445 HydrophobicContact CB-CB 3.79Å; L311-A445 HydrophobicContact CD1-CB 4.27Å; L311-G451 WeakPolarHBondContact CA-O 3.36Å; L311-A453 HydrophobicContact CD1-CB 4.11Å |
| 312 | S | 80.4 | Confident | 71.5 | Confident | 38 Ų | 38 | 63.7 Ų | 63.7 | 27% | 0.266 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 109.2 | 166.2 | -66.7 | 0 | 0 | 0 | 0 | 109.4 | G310 G451 V452 A453 | G310-S312 PolarHBondContact O-N 3.07Å; S312-G451 PolarHBondContact N-O 2.96Å; S312-V452 CarbonylContact O-C 3.57Å; S312-V452 WeakPolarHBondContact O-CA 3.44Å; S312-V452 WeakPolarHBondContact O-CG1 3.4Å; S312-A453 PolarHBondContact O-N 3.45Å |
| 313 | H | 87.8 | Confident | 74.7 | Confident | 29 Ų | 29 | 56.8 Ų | 56.8 | 13% | 0.134 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 138.3 | -178.5 | 71.9 | 163.5 | 0 | 0 | 0 | 112.6 | F307 L311 Y437 A453 P491 | F307-H313 AromaticContact CE2-CE1 3.69Å; F307-H313 AromaticContact CZ-CE1 3.79Å; L311-H313 HydrophobicContact CD2-CB 4.38Å; L311-H313 HydrophobicContact CG-CB 4.32Å; H313-Y437 AromaticContact ND1-CE1 3.64Å; H313-Y437 AromaticContact ND1-CZ 3.8Å; H313-Y437 PolarHBondContact ND1-OH 2.88Å; H313-Y437 VanDerWaalsContact ND1-OH 3.1Å; H313-A453 CarbonylContact C-O 3.51Å; H313-A453 VanDerWaalsContact CA-O 3.26Å; H313-A453 WeakPolarHBondContact CA-O 3.21Å; H313-A453 HydrophobicContact CB-CB 4Å; H313-P491 VanDerWaalsContact O-CD 3.23Å; H313-P491 WeakPolarHBondContact O-CD 3.46Å; H313-P491 WeakPolarHBondContact O-CG 3.44Å |
| 314 | Y | 87.4 | Confident | 77.5 | Confident | 32 Ų | 32 | 54.1 Ų | 54.1 | 13% | 0.125 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 159.6 | -173.5 | -58.9 | -77.8 | 0 | 0 | 0 | 112.4 | I345 V452 A453 L454 T455 I490 P491 R492 W493 P494 | Y314-I345 HydrophobicContact CE2-CG2 4.07Å; Y314-V452 HydrophobicContact CD2-CG1 3.94Å; Y314-V452 HydrophobicContact CE2-CG1 3.92Å; Y314-A453 PolarHBondContact N-O 3.17Å; Y314-L454 CarbonylContact O-C 3.52Å; Y314-T455 PolarHBondContact O-N 2.86Å; Y314-I490 VanDerWaalsContact C-CG2 3.45Å; Y314-P491 CarbonylContact C-O 3.5Å; Y314-P491 WeakPolarHBondContact CA-O 3.15Å; Y314-P491 HydrophobicContact CD1-CB 3.98Å; Y314-P491 HydrophobicContact CD1-CG 3.76Å; Y314-P491 HydrophobicContact CE1-CB 4.19Å; Y314-P491 HydrophobicContact CE1-CG 3.95Å; Y314-R492 WeakPolarHBondContact CD1-O 3.03Å; Y314-W493 AromaticContact CD2-CE3 3.88Å; Y314-W493 HydrophobicContact CD2-CE3 3.88Å; Y314-W493 AromaticContact CD2-CZ3 3.96Å; Y314-W493 HydrophobicContact CD2-CZ3 3.96Å; Y314-W493 HydrophobicContact CG-CE3 4.01Å; Y314-P494 HydrophobicContact CE1-CG 4.08Å |
| 315 | C | 89.5 | Confident | 80.4 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 144.6 | 168.4 | 67.7 | 0 | 0 | 0 | 0 | 111.6 | T455 V457 F465 I490 P491 R492 W493 | C315-T455 CarbonylContact C-O 3.57Å; C315-T455 WeakPolarHBondContact CA-O 3.28Å; C315-V457 HydrophobicContact CB-CG2 4.22Å; C315-F465 HydrophobicContact CB-CE1 4.38Å; C315-F465 HydrophobicContact CB-CE2 3.98Å; C315-F465 HydrophobicContact CB-CZ 3.49Å; C315-F465 VanDerWaalsContact CB-CZ 3.49Å; C315-I490 HydrophobicContact CB-CB 4.38Å; C315-I490 HydrophobicContact CB-CG2 3.99Å; C315-I490 PolarHBondContact SG-O 3.39Å; C315-P491 PolarHBondContact N-O 3.07Å; C315-R492 WeakPolarHBondContact O-CA 3.44Å; C315-R492 PolarHBondContact SG-NH1 3.43Å; C315-W493 PolarHBondContact O-N 3.4Å |
| 316 | L | 90.3 | Very high | 82.5 | Confident | 13 Ų | 13 | 42.5 Ų | 42.5 | 7% | 0.068 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 98.5 | -178.7 | 178.9 | 55.3 | 0 | 0 | 0 | 110.3 | I318 I326 L454 T455 L456 V457 W493 L497 | L316-I318 HydrophobicContact CD1-CG2 4.25Å; L316-I318 HydrophobicContact CD2-CG2 4.33Å; L316-I318 HydrophobicContact CG-CG2 3.76Å; L316-I318 PolarHBondContact O-N 2.84Å; L316-I326 HydrophobicContact CD2-CG2 3.72Å; L316-L454 HydrophobicContact CB-CD1 3.74Å; L316-L454 HydrophobicContact CD2-CD2 4.36Å; L316-T455 PolarHBondContact N-O 3.29Å; L316-L456 HydrophobicContact CB-CD2 4.23Å; L316-L456 HydrophobicContact CD2-CD2 4.07Å; L316-L456 HydrophobicContact CG-CD2 4.45Å; L316-V457 PolarHBondContact O-N 3Å; L316-W493 HydrophobicContact CB-CB 3.98Å; L316-W493 HydrophobicContact CD1-CB 3.99Å; L316-W493 HydrophobicContact CD1-CG 4.39Å; L316-W493 HydrophobicContact CD2-CG 4.31Å; L316-W493 HydrophobicContact CG-CB 4.36Å; L316-L497 HydrophobicContact CD1-CD1 4.24Å; L316-L497 HydrophobicContact CD2-CD2 4.24Å |
| 317 | P | 87.6 | Confident | 84.4 | Confident | 65 Ų | 65 | 40.4 Ų | 40.4 | 42% | 0.422 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 124.2 | 173.2 | -20.1 | 33.1 | 0 | 0 | 0 | 111.4 | V457 | P317-V457 CarbonylContact C-O 3.55Å; P317-V457 VanDerWaalsContact CA-O 3.28Å; P317-V457 WeakPolarHBondContact CA-O 3.3Å |
| 318 | I | 89 | Confident | 85.6 | Confident | 22 Ų | 22 | 39.7 Ų | 39.7 | 11% | 0.113 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 165.6 | -178.5 | 62.9 | -177.1 | 0 | 0 | 0 | 111.9 | L316 R323 I326 L456 V457 T458 | L316-I318 HydrophobicContact CD1-CG2 4.25Å; L316-I318 HydrophobicContact CD2-CG2 4.33Å; L316-I318 HydrophobicContact CG-CG2 3.76Å; L316-I318 PolarHBondContact O-N 2.84Å; I318-R323 HydrophobicContact CD1-CB 3.97Å; I318-R323 HydrophobicContact CD1-CG 3.96Å; I318-I326 HydrophobicContact CD1-CB 4.28Å; I318-I326 HydrophobicContact CD1-CG2 4.33Å; I318-I326 HydrophobicContact CG2-CG1 4.19Å; I318-I326 HydrophobicContact CG2-CG2 4.29Å; I318-L456 HydrophobicContact CD1-CB 4.1Å; I318-L456 HydrophobicContact CD1-CD1 4.19Å; I318-L456 HydrophobicContact CD1-CD2 4.28Å; I318-L456 HydrophobicContact CD1-CG 4.42Å; I318-V457 PolarHBondContact N-O 2.79Å; I318-T458 HydrophobicContact CG1-CG2 3.82Å; I318-T458 WeakPolarHBondContact O-CA 3.41Å |
| 319 | R | 85 | Confident | 87.1 | Confident | 139 Ų | 139 | 38.6 Ų | 38.6 | 53% | 0.525 | 21% | 0.212 | S | C | . | . | trans | -75.4 | 144.3 | 167 | -65.3 | -174.8 | -63.2 | -177 | -7.3 | 109.9 | A321 D322 R323 | R319-A321 PolarHBondContact O-N 3.39Å; R319-D322 HydrophobicContact CB-CB 4.35Å; R319-D322 IonicContact CZ-OD2 3.45Å; R319-D322 IonicContact NE-OD2 3.84Å; R319-D322 PolarHBondContact NE-OD2 3.44Å; R319-D322 IonicContact NH2-OD1 2.74Å; R319-D322 IonicContact NH2-OD2 2.79Å; R319-D322 PolarHBondContact NH2-OD2 3.03Å; R319-D322 PolarHBondContact O-N 3.23Å; R319-R323 PolarHBondContact O-N 3.03Å | ||
| 320 | L | 86 | Confident | 88.5 | Confident | 101 Ų | 101 | 31.2 Ų | 31.2 | 53% | 0.529 | 17% | 0.174 | S | C | . | . | G | 310 helix | trans | -53.5 | -42.7 | 174.9 | 173.3 | 62 | 0 | 0 | 0 | 112.3 | D322 R323 T458 | L320-D322 PolarHBondContact O-N 3.19Å; L320-R323 VanDerWaalsContact O-CB 3.31Å; L320-R323 WeakPolarHBondContact O-CB 3.32Å; L320-R323 PolarHBondContact O-N 3.19Å; L320-T458 HydrophobicContact CB-CG2 4.44Å |
| 321 | A | 86.1 | Confident | 89.7 | Confident | 66 Ų | 66 | 29.7 Ų | 29.7 | 55% | 0.545 | 16% | 0.158 | S | C | . | . | G | 310 helix | trans | -66.4 | -22.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | R319 | R319-A321 PolarHBondContact O-N 3.39Š|
| 322 | D | 90 | Very high | 90.3 | Very high | 8 Ų | 8 | 30.9 Ų | 30.9 | 4% | 0.043 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -90.1 | -9.1 | 179.4 | -70 | -34.3 | 0 | 0 | 0 | 112.6 | R319 L320 T325 I326 R510 | R319-D322 HydrophobicContact CB-CB 4.35Å; R319-D322 IonicContact CZ-OD2 3.45Å; R319-D322 IonicContact NE-OD2 3.84Å; R319-D322 PolarHBondContact NE-OD2 3.44Å; R319-D322 IonicContact NH2-OD1 2.74Å; R319-D322 IonicContact NH2-OD2 2.79Å; R319-D322 PolarHBondContact NH2-OD2 3.03Å; R319-D322 PolarHBondContact O-N 3.23Å; L320-D322 PolarHBondContact O-N 3.19Å; D322-T325 WeakPolarHBondContact O-CB 3.49Å; D322-T325 PolarHBondContact O-N 2.7Å; D322-T325 VanDerWaalsContact O-N 3.08Å; D322-I326 HydrophobicContact CB-CG1 4.07Å; D322-I326 WeakPolarHBondContact O-CB 3.48Å; D322-I326 VanDerWaalsContact O-CG1 3.31Å; D322-I326 WeakPolarHBondContact O-CG1 3.37Å; D322-I326 PolarHBondContact O-N 3.06Å; D322-R510 IonicContact OD1-CZ 2.68Å; D322-R510 IonicContact OD1-NE 3.66Å; D322-R510 PolarHBondContact OD1-NE 2.96Å; D322-R510 IonicContact OD1-NH2 3.01Å; D322-R510 PolarHBondContact OD1-NH2 3.12Å; D322-R510 IonicContact OD2-NH2 2.6Å |
| 323 | R | 94.1 | Very high | 90.4 | Very high | 21 Ų | 21 | 30.2 Ų | 30.2 | 8% | 0.079 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -56.7 | -47.5 | -170.5 | -169.6 | -171.7 | -56.3 | 166.9 | -2.6 | 113.6 | I318 R319 L320 T325 L327 Y428 L456 T458 | I318-R323 HydrophobicContact CD1-CB 3.97Å; I318-R323 HydrophobicContact CD1-CG 3.96Å; R319-R323 PolarHBondContact O-N 3.03Å; L320-R323 VanDerWaalsContact O-CB 3.31Å; L320-R323 WeakPolarHBondContact O-CB 3.32Å; L320-R323 PolarHBondContact O-N 3.19Å; R323-T325 VanDerWaalsContact C-N 3.34Å; R323-T325 PolarHBondContact O-N 3.4Å; R323-L327 WeakPolarHBondContact O-CB 3.19Å; R323-L327 PolarHBondContact O-N 3.23Å; R323-Y428 HydrophobicContact CG-CD2 4.22Å; R323-Y428 HydrophobicContact CG-CE2 3.55Å; R323-L456 HydrophobicContact CG-CD1 4.02Å; R323-T458 PolarHBondContact NH2-OG1 2.9Å |
| 324 | P | 94.9 | Very high | 90.1 | Very high | 18 Ų | 18 | 29.2 Ų | 29.2 | 12% | 0.117 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64 | -39.4 | 176.2 | -21.6 | 34.5 | 0 | 0 | 0 | 112.6 | L327 N328 F372 W517 | P324-L327 PolarHBondContact O-N 2.9Å; P324-N328 WeakPolarHBondContact O-CB 3.39Å; P324-N328 PolarHBondContact O-N 3.07Å; P324-F372 HydrophobicContact CB-CE1 4.11Å; P324-F372 HydrophobicContact CB-CE2 4.31Å; P324-F372 HydrophobicContact CB-CZ 3.86Å; P324-F372 WeakPolarHBondContact O-CE1 3.46Å; P324-F372 VanDerWaalsContact O-CZ 3.32Å; P324-F372 WeakPolarHBondContact O-CZ 3.47Å; P324-W517 HydrophobicContact CB-CE3 3.82Å; P324-W517 HydrophobicContact CB-CZ3 3.95Å; P324-W517 HydrophobicContact CG-CE3 3.95Å; P324-W517 HydrophobicContact CG-CZ3 3.92Å |
| 325 | T | 94.8 | Very high | 89.6 | Confident | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.006 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -65.2 | -45.4 | 179.9 | -49.5 | 0 | 0 | 0 | 0 | 112.2 | D322 R323 N328 W329 L506 R509 R510 | D322-T325 WeakPolarHBondContact O-CB 3.49Å; D322-T325 PolarHBondContact O-N 2.7Å; D322-T325 VanDerWaalsContact O-N 3.08Å; R323-T325 VanDerWaalsContact C-N 3.34Å; R323-T325 PolarHBondContact O-N 3.4Å; T325-N328 PolarHBondContact O-N 3.07Å; T325-W329 WeakPolarHBondContact O-CB 3.46Å; T325-W329 PolarHBondContact O-N 3.45Å; T325-L506 HydrophobicContact CG2-CD1 3.95Å; T325-R509 VanDerWaalsContact CG2-C 3.47Å; T325-R509 HydrophobicContact CG2-CB 3.54Å; T325-R510 HydrophobicContact CG2-CB 4.36Å; T325-R510 WeakPolarHBondContact OG1-CA 3.24Å |
| 326 | I | 94.6 | Very high | 88.5 | Confident | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.01 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.6 | -41.5 | 177.2 | -65.1 | -65.1 | 0 | 0 | 0 | 110.1 | L316 I318 D322 N328 W329 V330 L456 L497 L506 | L316-I326 HydrophobicContact CD2-CG2 3.72Å; I318-I326 HydrophobicContact CD1-CB 4.28Å; I318-I326 HydrophobicContact CD1-CG2 4.33Å; I318-I326 HydrophobicContact CG2-CG1 4.19Å; I318-I326 HydrophobicContact CG2-CG2 4.29Å; D322-I326 HydrophobicContact CB-CG1 4.07Å; D322-I326 WeakPolarHBondContact O-CB 3.48Å; D322-I326 VanDerWaalsContact O-CG1 3.31Å; D322-I326 WeakPolarHBondContact O-CG1 3.37Å; D322-I326 PolarHBondContact O-N 3.06Å; I326-N328 PolarHBondContact O-N 3.33Å; I326-W329 PolarHBondContact O-N 2.88Å; I326-V330 HydrophobicContact CG2-CG2 4.21Å; I326-V330 WeakPolarHBondContact O-CG2 3.38Å; I326-V330 PolarHBondContact O-N 3.36Å; I326-L456 HydrophobicContact CG2-CD2 4.41Å; I326-L497 HydrophobicContact CD1-CD1 3.66Å; I326-L497 HydrophobicContact CD1-CD2 3.84Å; I326-L497 HydrophobicContact CD1-CG 4.28Å; I326-L506 HydrophobicContact CD1-CD1 3.65Å; I326-L506 HydrophobicContact CG1-CD1 4.48Å |
| 327 | L | 96.1 | Very high | 87.1 | Confident | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -56.8 | -52.6 | 174.8 | 177.8 | 67 | 0 | 0 | 0 | 111.1 | R323 P324 W329 V330 V331 I358 V369 F372 L373 I426 Y428 | R323-L327 WeakPolarHBondContact O-CB 3.19Å; R323-L327 PolarHBondContact O-N 3.23Å; P324-L327 PolarHBondContact O-N 2.9Å; L327-W329 VanDerWaalsContact C-N 3.29Å; L327-W329 PolarHBondContact O-N 2.99Å; L327-V330 PolarHBondContact O-N 3.11Å; L327-V331 HydrophobicContact CD1-CG2 4.18Å; L327-V331 HydrophobicContact CG-CG2 4.48Å; L327-V331 WeakPolarHBondContact O-CG2 3.23Å; L327-V331 PolarHBondContact O-N 3.31Å; L327-I358 HydrophobicContact CD1-CD1 4Å; L327-I358 HydrophobicContact CD2-CD1 4.49Å; L327-V369 HydrophobicContact CD2-CG1 3.6Å; L327-F372 HydrophobicContact CD2-CE1 4.47Å; L327-L373 HydrophobicContact CD2-CD1 4.42Å; L327-L373 HydrophobicContact CD2-CD2 4.33Å; L327-L373 HydrophobicContact CG-CD2 4.38Å; L327-I426 HydrophobicContact CD1-CD1 3.85Å; L327-I426 HydrophobicContact CD1-CG2 4.1Å; L327-Y428 HydrophobicContact CB-CE2 4.31Å; L327-Y428 HydrophobicContact CD1-CD2 4.35Å; L327-Y428 HydrophobicContact CD2-CD2 3.81Å; L327-Y428 HydrophobicContact CD2-CE2 3.77Å; L327-Y428 HydrophobicContact CG-CD2 4.45Å |
| 328 | N | 94.9 | Very high | 86.1 | Confident | 19 Ų | 19 | 36.4 Ų | 36.4 | 10% | 0.102 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.7 | -43.1 | 178.9 | -176.6 | 25 | 0 | 0 | 0 | 111.5 | P324 T325 I326 V331 E332 F372 H378 | P324-N328 WeakPolarHBondContact O-CB 3.39Å; P324-N328 PolarHBondContact O-N 3.07Å; T325-N328 PolarHBondContact O-N 3.07Å; I326-N328 PolarHBondContact O-N 3.33Å; N328-V331 PolarHBondContact O-N 3.49Å; N328-E332 VanDerWaalsContact O-CB 3.28Å; N328-E332 WeakPolarHBondContact O-CB 3.41Å; N328-E332 PolarHBondContact O-N 2.66Å; N328-F372 HydrophobicContact CB-CE1 4.14Å; N328-F372 HydrophobicContact CB-CZ 3.9Å; N328-H378 PolarHBondContact OD1-CD2 3.31Å; N328-H378 PolarHBondContact OD1-NE2 3.09Å |
| 329 | W | 93 | Very high | 85.1 | Confident | 20 Ų | 20 | 36.5 Ų | 36.5 | 8% | 0.076 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.9 | -46.1 | 176.5 | -179.7 | 79.4 | 0 | 0 | 0 | 112.9 | T325 I326 L327 V331 E332 N333 I495 P496 L497 P498 | T325-W329 WeakPolarHBondContact O-CB 3.46Å; T325-W329 PolarHBondContact O-N 3.45Å; I326-W329 PolarHBondContact O-N 2.88Å; L327-W329 VanDerWaalsContact C-N 3.29Å; L327-W329 PolarHBondContact O-N 2.99Å; W329-V331 PolarHBondContact O-N 3.19Å; W329-E332 PolarHBondContact O-N 3.05Å; W329-N333 VanDerWaalsContact CE2-ND2 3.35Å; W329-N333 PolarHBondContact NE1-ND2 2.87Å; W329-N333 WeakPolarHBondContact O-CB 3.24Å; W329-N333 PolarHBondContact O-N 3.28Å; W329-N333 PolarHBondContact O-ND2 3.03Å; W329-I495 HydrophobicContact CH2-CG2 3.79Å; W329-I495 HydrophobicContact CZ2-CG2 4.48Å; W329-P496 WeakPolarHBondContact CH2-O 3.26Å; W329-L497 HydrophobicContact CE3-CD2 3.78Å; W329-L497 HydrophobicContact CH2-CD2 4.05Å; W329-L497 HydrophobicContact CZ3-CD2 3.45Å; W329-L497 VanDerWaalsContact CZ3-CD2 3.45Å; W329-P498 VanDerWaalsContact CD1-CG 3.47Å; W329-P498 HydrophobicContact CD2-CG 4.05Å; W329-P498 VanDerWaalsContact CE2-CD 3.48Å; W329-P498 HydrophobicContact CG-CG 3.99Å; W329-P498 HydrophobicContact CZ2-CG 4.17Å |
| 330 | V | 92.3 | Very high | 84.3 | Confident | 3 Ų | 3 | 30.6 Ų | 30.6 | 2% | 0.018 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.7 | -47.6 | 177.7 | 171.6 | 0 | 0 | 0 | 0 | 110.4 | I326 L327 E332 N333 V334 F424 I426 L454 | I326-V330 HydrophobicContact CG2-CG2 4.21Å; I326-V330 WeakPolarHBondContact O-CG2 3.38Å; I326-V330 PolarHBondContact O-N 3.36Å; L327-V330 PolarHBondContact O-N 3.11Å; V330-E332 PolarHBondContact O-N 3.49Å; V330-N333 PolarHBondContact O-N 3.13Å; V330-V334 HydrophobicContact CG1-CG2 4.19Å; V330-V334 WeakPolarHBondContact O-CB 3.38Å; V330-V334 VanDerWaalsContact O-CG2 3.26Å; V330-V334 WeakPolarHBondContact O-CG2 3.38Å; V330-V334 PolarHBondContact O-N 3.02Å; V330-F424 HydrophobicContact CG1-CE1 3.69Å; V330-F424 HydrophobicContact CG1-CZ 4.03Å; V330-I426 HydrophobicContact CG1-CD1 4.06Å; V330-L454 HydrophobicContact CB-CD2 4.46Å; V330-L454 HydrophobicContact CG1-CD2 3.83Å; V330-L454 HydrophobicContact CG2-CD2 3.91Å |
| 331 | V | 92.1 | Very high | 83.4 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.4 | -47.7 | 179.4 | 171.9 | 0 | 0 | 0 | 0 | 111 | L327 N328 W329 N333 V334 I335 I356 I358 L373 H378 V406 I426 | L327-V331 HydrophobicContact CD1-CG2 4.18Å; L327-V331 HydrophobicContact CG-CG2 4.48Å; L327-V331 WeakPolarHBondContact O-CG2 3.23Å; L327-V331 PolarHBondContact O-N 3.31Å; N328-V331 PolarHBondContact O-N 3.49Å; W329-V331 PolarHBondContact O-N 3.19Å; V331-N333 VanDerWaalsContact C-N 3.33Å; V331-N333 PolarHBondContact O-N 3.48Å; V331-V334 PolarHBondContact O-N 3.46Å; V331-I335 HydrophobicContact CG1-CD1 3.6Å; V331-I335 HydrophobicContact CG1-CG1 4.45Å; V331-I335 WeakPolarHBondContact O-CB 3.04Å; V331-I335 VanDerWaalsContact O-CG1 3.31Å; V331-I335 WeakPolarHBondContact O-CG1 3.29Å; V331-I335 PolarHBondContact O-N 2.83Å; V331-I356 HydrophobicContact CG1-CD1 4.22Å; V331-I358 HydrophobicContact CG2-CD1 4.41Å; V331-L373 HydrophobicContact CG2-CD2 4.3Å; V331-H378 HydrophobicContact CG1-CB 4.35Å; V331-V406 HydrophobicContact CG1-CG2 4.22Å; V331-I426 HydrophobicContact CG2-CD1 4.05Å |
| 332 | E | 89.3 | Confident | 82.3 | Confident | 51 Ų | 51 | 35 Ų | 35 | 24% | 0.238 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -57.3 | -43.8 | 176.1 | -173.8 | -174.9 | 170.5 | 0 | 0 | 112 | N328 W329 V330 I335 Q336 R509 | N328-E332 VanDerWaalsContact O-CB 3.28Å; N328-E332 WeakPolarHBondContact O-CB 3.41Å; N328-E332 PolarHBondContact O-N 2.66Å; W329-E332 PolarHBondContact O-N 3.05Å; V330-E332 PolarHBondContact O-N 3.49Å; E332-I335 PolarHBondContact O-N 3.01Å; E332-Q336 HydrophobicContact CG-CG 4.31Å; E332-Q336 VanDerWaalsContact CG-OE1 3.27Å; E332-Q336 WeakPolarHBondContact O-CA 3.46Å; E332-Q336 WeakPolarHBondContact O-CB 3.39Å; E332-Q336 WeakPolarHBondContact O-CG 3.22Å; E332-Q336 PolarHBondContact O-N 3.46Å; E332-R509 IonicContact OE1-NH1 2.8Å; E332-R509 IonicContact OE2-CZ 3.8Å; E332-R509 IonicContact OE2-NH1 2.61Å; E332-R509 PolarHBondContact OE2-NH1 2.98Å; E332-R509 IonicContact OE2-NH2 3.15Å; E332-R509 PolarHBondContact OE2-NH2 3.36Å |
| 333 | N | 83.9 | Confident | 81.1 | Confident | 24 Ų | 24 | 39.2 Ų | 39.2 | 13% | 0.128 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -76.9 | -31.3 | -175.8 | -76 | -100.2 | 0 | 0 | 0 | 113 | W329 V330 V331 T337 L339 | W329-N333 VanDerWaalsContact CE2-ND2 3.35Å; W329-N333 PolarHBondContact NE1-ND2 2.87Å; W329-N333 WeakPolarHBondContact O-CB 3.24Å; W329-N333 PolarHBondContact O-N 3.28Å; W329-N333 PolarHBondContact O-ND2 3.03Å; V330-N333 PolarHBondContact O-N 3.13Å; V331-N333 VanDerWaalsContact C-N 3.33Å; V331-N333 PolarHBondContact O-N 3.48Å; N333-T337 VanDerWaalsContact CA-OG1 3.25Å; N333-T337 WeakPolarHBondContact CA-OG1 3.44Å; N333-T337 PolarHBondContact O-N 3.31Å; N333-T337 PolarHBondContact O-OG1 3.17Å; N333-T337 PolarHBondContact OD1-OG1 3.24Å; N333-L339 HydrophobicContact CB-CB 4.25Å; N333-L339 HydrophobicContact CB-CD1 3.78Å; N333-L339 PolarHBondContact O-N 2.9Å; N333-L339 WeakPolarHBondContact OD1-CD1 3.35Å |
| 334 | V | 81.5 | Confident | 79.6 | Confident | 8 Ų | 8 | 41.3 Ų | 41.3 | 5% | 0.048 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.6 | -42.9 | 172.5 | 172.1 | 0 | 0 | 0 | 0 | 110.4 | V330 V331 L340 I356 F424 | V330-V334 HydrophobicContact CG1-CG2 4.19Å; V330-V334 WeakPolarHBondContact O-CB 3.38Å; V330-V334 VanDerWaalsContact O-CG2 3.26Å; V330-V334 WeakPolarHBondContact O-CG2 3.38Å; V330-V334 PolarHBondContact O-N 3.02Å; V331-V334 PolarHBondContact O-N 3.46Å; V334-L340 HydrophobicContact CG1-CD1 4.2Å; V334-L340 HydrophobicContact CG2-CD1 4.15Å; V334-L340 HydrophobicContact CG2-CG 4.37Å; V334-I356 HydrophobicContact CB-CD1 4.2Å; V334-I356 HydrophobicContact CG1-CD1 3.84Å; V334-I356 HydrophobicContact CG1-CG1 4.4Å; V334-F424 HydrophobicContact CG1-CB 4.2Å; V334-F424 HydrophobicContact CG1-CD2 4.33Å; V334-F424 HydrophobicContact CG1-CG 4.15Å; V334-F424 HydrophobicContact CG2-CD1 4.21Å; V334-F424 HydrophobicContact CG2-CD2 4.12Å; V334-F424 HydrophobicContact CG2-CE1 4.06Å; V334-F424 HydrophobicContact CG2-CE2 4Å; V334-F424 HydrophobicContact CG2-CG 4.26Å; V334-F424 HydrophobicContact CG2-CZ 3.99Å |
| 335 | I | 75.8 | Confident | 78 | Confident | 27 Ų | 27 | 41.4 Ų | 41.4 | 14% | 0.138 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -79.6 | -43.5 | -177 | -63.3 | 173.2 | 0 | 0 | 0 | 112.5 | V331 E332 I356 V406 | V331-I335 HydrophobicContact CG1-CD1 3.6Å; V331-I335 HydrophobicContact CG1-CG1 4.45Å; V331-I335 WeakPolarHBondContact O-CB 3.04Å; V331-I335 VanDerWaalsContact O-CG1 3.31Å; V331-I335 WeakPolarHBondContact O-CG1 3.29Å; V331-I335 PolarHBondContact O-N 2.83Å; E332-I335 PolarHBondContact O-N 3.01Å; I335-I356 HydrophobicContact CD1-CD1 3.97Å; I335-I356 HydrophobicContact CG1-CD1 3.77Å; I335-V406 HydrophobicContact CD1-CG2 4.31Å |
| 336 | Q | 66.4 | Low | 76.5 | Confident | 121 Ų | 121 | 42.1 Ų | 42.1 | 57% | 0.565 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -99.5 | -26.8 | -165.3 | -60.2 | -177.9 | -4.3 | 0 | 0 | 114.7 | E332 | E332-Q336 HydrophobicContact CG-CG 4.31Å; E332-Q336 VanDerWaalsContact CG-OE1 3.27Å; E332-Q336 WeakPolarHBondContact O-CA 3.46Å; E332-Q336 WeakPolarHBondContact O-CB 3.39Å; E332-Q336 WeakPolarHBondContact O-CG 3.22Å; E332-Q336 PolarHBondContact O-N 3.46Å |
| 337 | T | 61.9 | Low | 74.7 | Confident | 72 Ų | 72 | 47 Ų | 47 | 44% | 0.442 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -115.9 | 3 | -167.6 | 57.6 | 0 | 0 | 0 | 0 | 114.5 | N333 L339 | N333-T337 VanDerWaalsContact CA-OG1 3.25Å; N333-T337 WeakPolarHBondContact CA-OG1 3.44Å; N333-T337 PolarHBondContact O-N 3.31Å; N333-T337 PolarHBondContact O-OG1 3.17Å; N333-T337 PolarHBondContact OD1-OG1 3.24Å; T337-L339 PolarHBondContact O-N 3.41Å; T337-L339 WeakPolarHBondContact OG1-CB 3.19Å |
| 338 | N | 66.9 | Low | 72.7 | Confident | 41 Ų | 41 | 48.7 Ų | 48.7 | 22% | 0.219 | 26% | 0.263 | C | S | . | . | trans | 42.2 | 39.4 | -171.1 | -74.8 | 10.5 | 0 | 0 | 0 | 112 | L340 E341 K342 H354 | N338-L340 PolarHBondContact O-N 3.28Å; N338-L340 VanDerWaalsContact O-N 3.14Å; N338-E341 HydrophobicContact CB-CB 4.21Å; N338-E341 PolarHBondContact ND2-OE2 3.21Å; N338-E341 VanDerWaalsContact O-CB 3.28Å; N338-E341 WeakPolarHBondContact O-CB 3.42Å; N338-E341 PolarHBondContact O-N 2.75Å; N338-K342 PolarHBondContact O-N 2.98Å; N338-H354 PolarHBondContact OD1-NE2 3.13Å | ||
| 339 | L | 66.8 | Low | 70.5 | Confident | 24 Ų | 24 | 52.7 Ų | 52.7 | 13% | 0.126 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.4 | -29.7 | -165.7 | -146.9 | 150.8 | 0 | 0 | 0 | 111.3 | N333 T337 E341 K342 F343 I495 | N333-L339 HydrophobicContact CB-CB 4.25Å; N333-L339 HydrophobicContact CB-CD1 3.78Å; N333-L339 PolarHBondContact O-N 2.9Å; N333-L339 WeakPolarHBondContact OD1-CD1 3.35Å; T337-L339 PolarHBondContact O-N 3.41Å; T337-L339 WeakPolarHBondContact OG1-CB 3.19Å; L339-E341 VanDerWaalsContact C-N 3.32Å; L339-E341 PolarHBondContact O-N 2.87Å; L339-K342 PolarHBondContact O-N 3.19Å; L339-F343 HydrophobicContact CD2-CD2 3.42Å; L339-F343 VanDerWaalsContact CD2-CD2 3.42Å; L339-F343 HydrophobicContact CD2-CE2 3.33Å; L339-F343 HydrophobicContact CD2-CZ 4.39Å; L339-F343 HydrophobicContact CG-CD2 4.38Å; L339-F343 HydrophobicContact CG-CE2 4.28Å; L339-F343 WeakPolarHBondContact O-CD2 3.41Å; L339-F343 PolarHBondContact O-N 2.87Å; L339-F343 VanDerWaalsContact O-N 3.15Å; L339-I495 HydrophobicContact CD2-CB 4.07Å; L339-I495 HydrophobicContact CD2-CD1 3.46Å; L339-I495 VanDerWaalsContact CD2-CD1 3.46Å; L339-I495 HydrophobicContact CD2-CG1 3.56Å; L339-I495 HydrophobicContact CD2-CG2 3.33Å |
| 340 | L | 69 | Low | 68.5 | Low | 15 Ų | 15 | 56.4 Ų | 56.4 | 8% | 0.079 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.2 | -40.9 | 173.3 | -60.4 | 177.4 | 0 | 0 | 0 | 112.3 | V334 N338 F343 G344 I345 T346 F424 V452 W493 I495 | V334-L340 HydrophobicContact CG1-CD1 4.2Å; V334-L340 HydrophobicContact CG2-CD1 4.15Å; V334-L340 HydrophobicContact CG2-CG 4.37Å; N338-L340 PolarHBondContact O-N 3.28Å; N338-L340 VanDerWaalsContact O-N 3.14Å; L340-F343 PolarHBondContact O-N 3.28Å; L340-G344 PolarHBondContact O-N 3.3Å; L340-I345 HydrophobicContact CB-CB 4.36Å; L340-I345 HydrophobicContact CD2-CB 4.47Å; L340-I345 HydrophobicContact CD2-CD1 3.97Å; L340-I345 HydrophobicContact CD2-CG2 4.41Å; L340-I345 WeakPolarHBondContact O-CB 3.31Å; L340-I345 PolarHBondContact O-N 3.03Å; L340-T346 HydrophobicContact CB-CG2 4.25Å; L340-T346 HydrophobicContact CD1-CG2 4.43Å; L340-F424 HydrophobicContact CD1-CD2 3.67Å; L340-F424 HydrophobicContact CD1-CE2 3.83Å; L340-F424 HydrophobicContact CD2-CE2 4.04Å; L340-V452 HydrophobicContact CD1-CG2 4.26Å; L340-W493 HydrophobicContact CD2-CH2 3.81Å; L340-I495 HydrophobicContact CD2-CD1 4.21Å |
| 341 | E | 67.1 | Low | 66.5 | Low | 80 Ų | 80 | 61.1 Ų | 61.1 | 37% | 0.374 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -66.7 | -45.5 | 177.1 | -169.3 | -169.7 | 165.5 | 0 | 0 | 110.4 | N338 L339 F343 G344 | N338-E341 HydrophobicContact CB-CB 4.21Å; N338-E341 PolarHBondContact ND2-OE2 3.21Å; N338-E341 VanDerWaalsContact O-CB 3.28Å; N338-E341 WeakPolarHBondContact O-CB 3.42Å; N338-E341 PolarHBondContact O-N 2.75Å; L339-E341 VanDerWaalsContact C-N 3.32Å; L339-E341 PolarHBondContact O-N 2.87Å; E341-F343 PolarHBondContact O-N 3.35Å; E341-G344 WeakPolarHBondContact O-CA 3.25Å; E341-G344 PolarHBondContact O-N 3.41Å |
| 342 | K | 63.3 | Low | 64.9 | Low | 178 Ų | 178 | 66.7 Ų | 66.7 | 77% | 0.774 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -58.6 | -33 | 178.9 | -174.9 | 176 | 179.5 | 178.1 | 0 | 113.1 | N338 L339 G344 | N338-K342 PolarHBondContact O-N 2.98Å; L339-K342 PolarHBondContact O-N 3.19Å; K342-G344 VanDerWaalsContact C-N 3.34Å |
| 343 | F | 63.4 | Low | 63.9 | Low | 97 Ų | 97 | 70 Ų | 70 | 43% | 0.425 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 7.3 | 176.6 | -79 | -101.2 | 0 | 0 | 0 | 113.1 | L339 L340 E341 I345 I495 | L339-F343 HydrophobicContact CD2-CD2 3.42Å; L339-F343 VanDerWaalsContact CD2-CD2 3.42Å; L339-F343 HydrophobicContact CD2-CE2 3.33Å; L339-F343 HydrophobicContact CD2-CZ 4.39Å; L339-F343 HydrophobicContact CG-CD2 4.38Å; L339-F343 HydrophobicContact CG-CE2 4.28Å; L339-F343 WeakPolarHBondContact O-CD2 3.41Å; L339-F343 PolarHBondContact O-N 2.87Å; L339-F343 VanDerWaalsContact O-N 3.15Å; L340-F343 PolarHBondContact O-N 3.28Å; E341-F343 PolarHBondContact O-N 3.35Å; F343-I345 HydrophobicContact CB-CD1 4.01Å; F343-I345 HydrophobicContact CB-CG1 3.99Å; F343-I345 PolarHBondContact O-N 2.91Å; F343-I495 HydrophobicContact CB-CG1 4.35Å; F343-I495 HydrophobicContact CD1-CG1 4.03Å; F343-I495 HydrophobicContact CD2-CD1 4.48Å; F343-I495 HydrophobicContact CD2-CG1 3.83Å; F343-I495 HydrophobicContact CE1-CG1 4.24Å; F343-I495 HydrophobicContact CE2-CG1 4.06Å; F343-I495 HydrophobicContact CE2-CG2 4.23Å; F343-I495 HydrophobicContact CG-CG1 3.8Å; F343-I495 HydrophobicContact CZ-CG1 4.24Å; F343-I495 HydrophobicContact CZ-CG2 4.25Å |
| 344 | G | 64 | Low | 63.6 | Low | 66 Ų | 66 | 70.2 Ų | 70.2 | 68% | 0.68 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.9 | 21.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | L340 E341 K342 | L340-G344 PolarHBondContact O-N 3.3Å; E341-G344 WeakPolarHBondContact O-CA 3.25Å; E341-G344 PolarHBondContact O-N 3.41Å; K342-G344 VanDerWaalsContact C-N 3.34Å |
| 345 | I | 61.1 | Low | 64 | Low | 19 Ų | 19 | 71.2 Ų | 71.2 | 10% | 0.097 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -79.8 | -33.7 | -178.3 | -56.1 | 174.9 | 0 | 0 | 0 | 110.4 | Y314 L340 F343 V452 P494 I495 | Y314-I345 HydrophobicContact CE2-CG2 4.07Å; L340-I345 HydrophobicContact CB-CB 4.36Å; L340-I345 HydrophobicContact CD2-CB 4.47Å; L340-I345 HydrophobicContact CD2-CD1 3.97Å; L340-I345 HydrophobicContact CD2-CG2 4.41Å; L340-I345 WeakPolarHBondContact O-CB 3.31Å; L340-I345 PolarHBondContact O-N 3.03Å; F343-I345 HydrophobicContact CB-CD1 4.01Å; F343-I345 HydrophobicContact CB-CG1 3.99Å; F343-I345 PolarHBondContact O-N 2.91Å; I345-V452 HydrophobicContact CG2-CG1 4.39Å; I345-V452 HydrophobicContact CG2-CG2 3.64Å; I345-P494 HydrophobicContact CD1-CG 3.6Å; I345-P494 HydrophobicContact CG1-CG 4.47Å; I345-I495 HydrophobicContact CD1-CD1 3.91Å; I345-I495 HydrophobicContact CD1-CG1 4.4Å |
| 346 | T | 63.6 | Low | 64.8 | Low | 17 Ų | 17 | 69.9 Ų | 69.9 | 10% | 0.104 | 39% | 0.385 | C | S | . | . | trans | -133.9 | 153.6 | 176.5 | 61.5 | 0 | 0 | 0 | 0 | 110.6 | L340 F348 V452 | L340-T346 HydrophobicContact CB-CG2 4.25Å; L340-T346 HydrophobicContact CD1-CG2 4.43Å; T346-F348 HydrophobicContact CG2-CD2 4.33Å; T346-F348 HydrophobicContact CG2-CE2 4.45Å; T346-V452 HydrophobicContact CG2-CG2 3.52Å | ||
| 347 | S | 55.8 | Low | 66.2 | Low | 105 Ų | 105 | 64.1 Ų | 64.1 | 73% | 0.734 | 36% | 0.358 | S | S | * | . | trans | -107.3 | 28.4 | -178.3 | 63.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 348 | F | 54.6 | Low | 67.8 | Low | 36 Ų | 36 | 60.7 Ų | 60.7 | 16% | 0.158 | 34% | 0.337 | C | S | . | . | trans | -71.8 | 147.3 | -173.5 | -80.8 | -78 | 0 | 0 | 0 | 112.5 | T346 E423 | T346-F348 HydrophobicContact CG2-CD2 4.33Å; T346-F348 HydrophobicContact CG2-CE2 4.45Å; F348-E423 HydrophobicContact CE2-CG 4.33Å; F348-E423 HydrophobicContact CZ-CG 4.05Å | ||
| 349 | T | 48.7 | Very low | 69.3 | Low | 103 Ų | 103 | 58.8 Ų | 58.8 | 63% | 0.632 | 33% | 0.327 | S | S | * | . | trans | -81.4 | 144.1 | 166.9 | 16.2 | 0 | 0 | 0 | 0 | 109.7 | S351 | T349-S351 PolarHBondContact O-N 3.16Š| ||
| 350 | P | 50.7 | Low | 70.7 | Confident | 97 Ų | 97 | 57.7 Ų | 57.7 | 63% | 0.63 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | 16.3 | -167.8 | -18.8 | 32.2 | 0 | 0 | 0 | 117.1 | ||
| 351 | S | 50.1 | Low | 71.8 | Confident | 102 Ų | 102 | 62.8 Ų | 62.8 | 71% | 0.713 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.7 | 11 | -166.4 | 68.6 | 0 | 0 | 0 | 0 | 115.6 | T349 | T349-S351 PolarHBondContact O-N 3.16Š|
| 352 | Q | 58.7 | Low | 73 | Confident | 118 Ų | 118 | 67.6 Ų | 67.6 | 55% | 0.551 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -117.8 | 140.9 | -178.9 | -68.3 | -173 | -19.9 | 0 | 0 | 112.1 | H354 | Q352-H354 PolarHBondContact O-N 3.1Š|
| 353 | K | 68.3 | Low | 74.4 | Confident | 120 Ų | 120 | 60.8 Ų | 60.8 | 52% | 0.522 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 126.8 | 172.1 | -73.3 | -179.6 | 169.8 | -177.5 | 0 | 108.9 | H355 S402 | K353-H355 PolarHBondContact O-N 3.11Å; K353-S402 PolarHBondContact NZ-O 3.04Å |
| 354 | H | 78 | Confident | 75.9 | Confident | 29 Ų | 29 | 62 Ų | 62 | 13% | 0.134 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -77.6 | 118.9 | -179.5 | -62.6 | -63.8 | 0 | 0 | 0 | 111.3 | N338 Q352 E423 | N338-H354 PolarHBondContact OD1-NE2 3.13Å; Q352-H354 PolarHBondContact O-N 3.1Å; H354-E423 IonicContact CE1-OE2 2.93Å; H354-E423 IonicContact CG-OE2 3.54Å; H354-E423 IonicContact ND1-OE2 3.23Å; H354-E423 PolarHBondContact ND1-OE2 3.19Å |
| 355 | H | 89 | Confident | 77.3 | Confident | 28 Ų | 28 | 60.8 Ų | 60.8 | 13% | 0.13 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -91.7 | 116.9 | 173.5 | -71.5 | -76.5 | 0 | 0 | 0 | 111.4 | K353 F399 S402 V422 E423 F424 | K353-H355 PolarHBondContact O-N 3.11Å; H355-F399 HydrophobicContact CB-CE2 4.24Å; H355-F399 HydrophobicContact CB-CZ 3.9Å; H355-F399 PolarHBondContact CE1-O 2.94Å; H355-F399 AromaticContact ND1-CE2 3.7Å; H355-F399 AromaticContact ND1-CZ 3.9Å; H355-S402 PolarHBondContact CE1-OG 3.06Å; H355-S402 PolarHBondContact NE2-OG 2.9Å; H355-V422 HydrophobicContact CB-CB 4.39Å; H355-V422 HydrophobicContact CB-CG1 4.22Å; H355-E423 PolarHBondContact O-N 3.14Å; H355-F424 PolarHBondContact O-N 3.38Å |
| 356 | I | 93.6 | Very high | 79 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 132.1 | -179.9 | -53 | -175.1 | 0 | 0 | 0 | 110.1 | V331 V334 I335 I358 E405 V406 L407 F424 I426 | V331-I356 HydrophobicContact CG1-CD1 4.22Å; V334-I356 HydrophobicContact CB-CD1 4.2Å; V334-I356 HydrophobicContact CG1-CD1 3.84Å; V334-I356 HydrophobicContact CG1-CG1 4.4Å; I335-I356 HydrophobicContact CD1-CD1 3.97Å; I335-I356 HydrophobicContact CG1-CD1 3.77Å; I356-I358 HydrophobicContact CG2-CG1 4.1Å; I356-E405 PolarHBondContact N-O 3.07Å; I356-V406 HydrophobicContact CB-CG1 4.33Å; I356-V406 HydrophobicContact CB-CG2 4.24Å; I356-V406 HydrophobicContact CG2-CG1 4.39Å; I356-V406 CarbonylContact O-C 3.45Å; I356-V406 WeakPolarHBondContact O-CA 3.48Å; I356-L407 PolarHBondContact O-N 3.09Å; I356-F424 CarbonylContact C-O 3.58Å; I356-F424 WeakPolarHBondContact CA-O 3.35Å; I356-F424 HydrophobicContact CG1-CB 4.12Å; I356-F424 HydrophobicContact CG2-CB 4.39Å; I356-F424 HydrophobicContact CG2-CD1 4.25Å; I356-I426 HydrophobicContact CG2-CD1 4.16Å; I356-I426 HydrophobicContact CG2-CG1 4.33Å |
| 357 | M | 94.7 | Very high | 80.6 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 126.1 | 173 | -167.7 | 174.2 | -172.3 | 0 | 0 | 111.6 | F359 L407 A409 I419 V422 F424 V425 I426 R443 | M357-F359 HydrophobicContact CE-CE1 3.64Å; M357-F359 HydrophobicContact CE-CE2 4.26Å; M357-F359 HydrophobicContact CE-CZ 3.43Å; M357-F359 VanDerWaalsContact CE-CZ 3.43Å; M357-F359 HydrophobicContact CG-CE2 4.11Å; M357-F359 HydrophobicContact CG-CZ 4.19Å; M357-F359 HydrophobicContact SD-CE1 4.4Å; M357-F359 HydrophobicContact SD-CE2 3.96Å; M357-F359 HydrophobicContact SD-CZ 3.61Å; M357-L407 CarbonylContact C-O 3.38Å; M357-L407 WeakPolarHBondContact CA-O 3.4Å; M357-L407 HydrophobicContact CE-CD2 4.06Å; M357-A409 HydrophobicContact CE-CB 3.86Å; M357-I419 HydrophobicContact CE-CD1 3.48Å; M357-I419 VanDerWaalsContact CE-CD1 3.48Å; M357-I419 HydrophobicContact SD-CD1 4.01Å; M357-V422 HydrophobicContact CB-CB 4.45Å; M357-V422 HydrophobicContact CB-CG1 4.24Å; M357-V422 HydrophobicContact CB-CG2 4.14Å; M357-F424 PolarHBondContact N-O 2.94Å; M357-V425 CarbonylContact O-C 3.53Å; M357-V425 VanDerWaalsContact O-CA 3.31Å; M357-V425 WeakPolarHBondContact O-CA 3.32Å; M357-I426 PolarHBondContact O-N 3.5Å; M357-R443 HydrophobicContact SD-CB 4.16Å; M357-R443 HydrophobicContact SD-CG 3.81Å |
| 358 | I | 97.5 | Very high | 82.5 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 125 | -176.9 | -55 | 175.4 | 0 | 0 | 0 | 110 | L327 V331 I356 L373 V406 L407 V408 A409 I426 | L327-I358 HydrophobicContact CD1-CD1 4Å; L327-I358 HydrophobicContact CD2-CD1 4.49Å; V331-I358 HydrophobicContact CG2-CD1 4.41Å; I356-I358 HydrophobicContact CG2-CG1 4.1Å; I358-L373 HydrophobicContact CD1-CD1 3.51Å; I358-V406 HydrophobicContact CD1-CG1 3.44Å; I358-V406 VanDerWaalsContact CD1-CG1 3.44Å; I358-V406 HydrophobicContact CG1-CG1 3.94Å; I358-L407 PolarHBondContact N-O 3.27Å; I358-V408 HydrophobicContact CB-CB 4.47Å; I358-V408 HydrophobicContact CB-CG1 4.11Å; I358-V408 HydrophobicContact CB-CG2 4.32Å; I358-V408 HydrophobicContact CD1-CG2 4.28Å; I358-V408 HydrophobicContact CG2-CG1 4.15Å; I358-V408 CarbonylContact O-C 3.56Å; I358-V408 WeakPolarHBondContact O-CA 3.38Å; I358-A409 PolarHBondContact O-N 3.25Å; I358-I426 CarbonylContact C-O 3.59Å; I358-I426 VanDerWaalsContact CA-O 3.31Å; I358-I426 WeakPolarHBondContact CA-O 3.27Å; I358-I426 HydrophobicContact CG1-CB 4.14Å; I358-I426 HydrophobicContact CG1-CD1 4.34Å; I358-I426 HydrophobicContact CG1-CG1 4.48Å; I358-I426 HydrophobicContact CG2-CB 4.4Å |
| 359 | F | 97.5 | Very high | 84.6 | Confident | 1 Ų | 1 | 55.8 Ų | 55.8 | 0% | 0.004 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 120 | 178.2 | -72.5 | -76 | 0 | 0 | 0 | 112.7 | M357 A409 S414 V425 I426 Y428 N429 R440 R443 | M357-F359 HydrophobicContact CE-CE1 3.64Å; M357-F359 HydrophobicContact CE-CE2 4.26Å; M357-F359 HydrophobicContact CE-CZ 3.43Å; M357-F359 VanDerWaalsContact CE-CZ 3.43Å; M357-F359 HydrophobicContact CG-CE2 4.11Å; M357-F359 HydrophobicContact CG-CZ 4.19Å; M357-F359 HydrophobicContact SD-CE1 4.4Å; M357-F359 HydrophobicContact SD-CE2 3.96Å; M357-F359 HydrophobicContact SD-CZ 3.61Å; F359-A409 WeakPolarHBondContact CA-O 3.45Å; F359-S414 WeakPolarHBondContact CE1-OG 3.22Å; F359-V425 HydrophobicContact CD2-CG1 3.88Å; F359-V425 HydrophobicContact CE2-CG1 3.85Å; F359-I426 PolarHBondContact N-O 3.25Å; F359-Y428 WeakPolarHBondContact O-CB 3.33Å; F359-Y428 PolarHBondContact O-N 3Å; F359-N429 PolarHBondContact O-N 3.07Å; F359-R440 HydrophobicContact CB-CG 4.42Å; F359-R440 HydrophobicContact CD1-CG 3.92Å; F359-R440 HydrophobicContact CD2-CB 3.71Å; F359-R440 HydrophobicContact CD2-CG 3.68Å; F359-R440 HydrophobicContact CE1-CG 4.03Å; F359-R440 HydrophobicContact CE2-CB 3.62Å; F359-R440 HydrophobicContact CE2-CG 3.8Å; F359-R440 HydrophobicContact CG-CB 4.29Å; F359-R440 HydrophobicContact CG-CG 3.74Å; F359-R440 HydrophobicContact CZ-CB 4.15Å; F359-R440 HydrophobicContact CZ-CG 3.96Å; F359-R443 HydrophobicContact CE2-CG 4.16Å; F359-R443 HydrophobicContact CZ-CG 3.87Å |
| 360 | C | 96.2 | Very high | 86.9 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 158.6 | 174.9 | -63.5 | 0 | 0 | 0 | 0 | 111.9 | E365 T366 A409 N429 | C360-E365 HydrophobicContact CB-CB 4.44Å; C360-E365 HydrophobicContact CB-CG 4.14Å; C360-T366 WeakPolarHBondContact CB-OG1 3.44Å; C360-A409 PolarHBondContact N-O 3.02Å; C360-N429 VanDerWaalsContact CA-OD1 3.22Å; C360-N429 WeakPolarHBondContact CA-OD1 3.29Å |
| 361 | K | 92 | Very high | 89.2 | Confident | 123 Ų | 123 | 46.9 Ų | 46.9 | 54% | 0.535 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -81.5 | -40 | -178.3 | -176.4 | 174.6 | -179.1 | 173.4 | 0 | 112.5 | E365 N429 | K361-E365 PolarHBondContact N-OE2 3.25Å; K361-N429 HydrophobicContact CB-CB 4.05Å; K361-N429 PolarHBondContact N-OD1 2.81Å |
| 362 | R | 92.9 | Very high | 91.4 | Very high | 180 Ų | 180 | 42 Ų | 42 | 68% | 0.679 | 19% | 0.19 | S | C | * | . | S | Bend | trans | -116.1 | 147.2 | -172.3 | -64.8 | -179.2 | 175.1 | 177.4 | -0.6 | 111.8 | H364 E365 T366 | R362-H364 PolarHBondContact O-N 2.8Å; R362-E365 HydrophobicContact CB-CB 4.08Å; R362-E365 PolarHBondContact N-OE2 2.94Å; R362-E365 WeakPolarHBondContact O-CB 3.48Å; R362-E365 PolarHBondContact O-N 3.32Å; R362-E365 VanDerWaalsContact O-N 3.1Å; R362-T366 PolarHBondContact O-N 3.46Å; R362-T366 PolarHBondContact O-OG1 3.41Å |
| 363 | C | 93.2 | Very high | 93.3 | Very high | 35 Ų | 35 | 36.4 Ų | 36.4 | 24% | 0.236 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.7 | -45.3 | 179.4 | -60.9 | 0 | 0 | 0 | 0 | 112.7 | E365 T366 I367 T384 | C363-E365 VanDerWaalsContact C-N 3.3Å; C363-E365 PolarHBondContact O-N 3.47Å; C363-T366 WeakPolarHBondContact O-CB 3.42Å; C363-T366 PolarHBondContact O-N 2.92Å; C363-I367 WeakPolarHBondContact O-CG1 3.42Å; C363-I367 PolarHBondContact O-N 2.98Å; C363-T384 HydrophobicContact CB-CG2 4.13Å; C363-T384 WeakPolarHBondContact O-CG2 3.3Å |
| 364 | H | 92.9 | Very high | 94.6 | Very high | 124 Ų | 124 | 35.1 Ų | 35.1 | 57% | 0.574 | 16% | 0.155 | S | C | * | . | H | α-helix | trans | -62.7 | -37.6 | 176.9 | -179 | -80.8 | 0 | 0 | 0 | 112.1 | R362 I367 M368 | R362-H364 PolarHBondContact O-N 2.8Å; H364-I367 PolarHBondContact O-N 3.5Å; H364-M368 WeakPolarHBondContact CE1-CG 3.49Å; H364-M368 WeakPolarHBondContact ND1-CG 3.33Å; H364-M368 WeakPolarHBondContact O-CB 3.48Å; H364-M368 VanDerWaalsContact O-CG 3.25Å; H364-M368 WeakPolarHBondContact O-CG 3.48Å; H364-M368 PolarHBondContact O-N 3.36Å |
| 365 | E | 95.2 | Very high | 95.5 | Very high | 40 Ų | 40 | 36.7 Ų | 36.7 | 19% | 0.187 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.5 | -41.9 | 177.4 | -176.1 | 179 | -139.9 | 0 | 0 | 111 | C360 K361 R362 C363 I367 M368 V369 Y428 N429 | C360-E365 HydrophobicContact CB-CB 4.44Å; C360-E365 HydrophobicContact CB-CG 4.14Å; K361-E365 PolarHBondContact N-OE2 3.25Å; R362-E365 HydrophobicContact CB-CB 4.08Å; R362-E365 PolarHBondContact N-OE2 2.94Å; R362-E365 WeakPolarHBondContact O-CB 3.48Å; R362-E365 PolarHBondContact O-N 3.32Å; R362-E365 VanDerWaalsContact O-N 3.1Å; C363-E365 VanDerWaalsContact C-N 3.3Å; C363-E365 PolarHBondContact O-N 3.47Å; E365-I367 PolarHBondContact O-N 3.28Å; E365-M368 PolarHBondContact O-N 3.12Å; E365-V369 HydrophobicContact CG-CG2 4.36Å; E365-V369 WeakPolarHBondContact O-CB 3.5Å; E365-V369 VanDerWaalsContact O-CG2 3.27Å; E365-V369 WeakPolarHBondContact O-CG2 3.4Å; E365-V369 PolarHBondContact O-N 2.7Å; E365-Y428 HydrophobicContact CG-CD1 4.37Å; E365-Y428 HydrophobicContact CG-CE1 4.09Å; E365-Y428 WeakPolarHBondContact OE1-CE1 3.43Å; E365-N429 VanDerWaalsContact CD-OD1 3.3Å; E365-N429 PolarHBondContact OE1-ND2 3.43Å; E365-N429 PolarHBondContact OE1-OD1 3.04Å; E365-N429 PolarHBondContact OE2-OD1 3.49Å |
| 366 | T | 96.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -56.5 | -47 | 173.9 | -55.5 | 0 | 0 | 0 | 0 | 112.3 | C360 R362 C363 V369 A370 A382 T384 V408 T410 | C360-T366 WeakPolarHBondContact CB-OG1 3.44Å; R362-T366 PolarHBondContact O-N 3.46Å; R362-T366 PolarHBondContact O-OG1 3.41Å; C363-T366 WeakPolarHBondContact O-CB 3.42Å; C363-T366 PolarHBondContact O-N 2.92Å; T366-V369 PolarHBondContact O-N 3Å; T366-A370 WeakPolarHBondContact O-CB 3.33Å; T366-A370 PolarHBondContact O-N 3.25Å; T366-A382 HydrophobicContact CG2-CB 4.05Å; T366-T384 HydrophobicContact CG2-CG2 3.76Å; T366-V408 VanDerWaalsContact CG2-C 3.43Å; T366-V408 HydrophobicContact CG2-CB 4Å; T366-V408 HydrophobicContact CG2-CG1 3.81Å; T366-V408 WeakPolarHBondContact CG2-O 3.37Å; T366-T410 WeakPolarHBondContact OG1-CG2 3.47Å |
| 367 | I | 96 | Very high | 95.7 | Very high | 60 Ų | 60 | 40.1 Ų | 40.1 | 31% | 0.308 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -64.9 | -48 | 179.3 | -61.2 | 165.4 | 0 | 0 | 0 | 110 | C363 H364 E365 V369 A370 E371 A382 T384 I524 | C363-I367 WeakPolarHBondContact O-CG1 3.42Å; C363-I367 PolarHBondContact O-N 2.98Å; H364-I367 PolarHBondContact O-N 3.5Å; E365-I367 PolarHBondContact O-N 3.28Å; I367-V369 PolarHBondContact O-N 2.96Å; I367-A370 PolarHBondContact O-N 3.43Å; I367-E371 WeakPolarHBondContact O-CB 3.45Å; I367-E371 PolarHBondContact O-N 3.32Å; I367-A382 HydrophobicContact CG1-CB 4.25Å; I367-T384 HydrophobicContact CD1-CG2 4.36Å; I367-T384 HydrophobicContact CG1-CG2 3.94Å; I367-I524 HydrophobicContact CG2-CD1 3.82Å; I367-I524 HydrophobicContact CG2-CG1 3.95Å; I367-I524 HydrophobicContact CG2-CG2 4.49Å |
| 368 | M | 97.1 | Very high | 95.6 | Very high | 12 Ų | 12 | 40.6 Ų | 40.6 | 6% | 0.059 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -57.2 | -46 | 177.3 | -76.4 | -60.5 | -48.9 | 0 | 0 | 112.7 | H364 E365 E371 F372 W517 S521 I524 | H364-M368 WeakPolarHBondContact CE1-CG 3.49Å; H364-M368 WeakPolarHBondContact ND1-CG 3.33Å; H364-M368 WeakPolarHBondContact O-CB 3.48Å; H364-M368 VanDerWaalsContact O-CG 3.25Å; H364-M368 WeakPolarHBondContact O-CG 3.48Å; H364-M368 PolarHBondContact O-N 3.36Å; E365-M368 PolarHBondContact O-N 3.12Å; M368-E371 PolarHBondContact O-N 3.18Å; M368-F372 WeakPolarHBondContact O-CB 3.5Å; M368-F372 PolarHBondContact O-N 3.4Å; M368-W517 HydrophobicContact CB-CH2 4.41Å; M368-W517 HydrophobicContact CB-CZ2 4.2Å; M368-W517 HydrophobicContact CE-CZ2 4.19Å; M368-S521 WeakPolarHBondContact CE-OG 3.29Å; M368-I524 HydrophobicContact CE-CD1 4.3Å; M368-I524 HydrophobicContact CG-CD1 4.15Å; M368-I524 HydrophobicContact SD-CD1 3.27Å; M368-I524 WeakPolarHBondContact SD-CD1 3.18Å |
| 369 | V | 98 | Very high | 95.5 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -68.1 | -40.7 | -178.9 | 169 | 0 | 0 | 0 | 0 | 111 | L327 E365 T366 I367 F372 L373 V408 Y428 W517 | L327-V369 HydrophobicContact CD2-CG1 3.6Å; E365-V369 HydrophobicContact CG-CG2 4.36Å; E365-V369 WeakPolarHBondContact O-CB 3.5Å; E365-V369 VanDerWaalsContact O-CG2 3.27Å; E365-V369 WeakPolarHBondContact O-CG2 3.4Å; E365-V369 PolarHBondContact O-N 2.7Å; T366-V369 PolarHBondContact O-N 3Å; I367-V369 PolarHBondContact O-N 2.96Å; V369-F372 PolarHBondContact O-N 3.26Å; V369-L373 HydrophobicContact CG1-CD1 4.19Å; V369-L373 VanDerWaalsContact O-CG 3.31Å; V369-L373 WeakPolarHBondContact O-CG 3.41Å; V369-L373 PolarHBondContact O-N 3.25Å; V369-V408 HydrophobicContact CB-CG1 4.07Å; V369-V408 HydrophobicContact CG1-CG1 3.87Å; V369-V408 HydrophobicContact CG1-CG2 4.21Å; V369-Y428 HydrophobicContact CG2-CD1 4.29Å; V369-Y428 HydrophobicContact CG2-CE1 3.9Å; V369-Y428 HydrophobicContact CG2-CE2 4.34Å; V369-W517 HydrophobicContact CG2-CH2 4.06Å; V369-W517 HydrophobicContact CG2-CZ3 4.34Å |
| 370 | A | 97.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.3 | -50.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111 | T366 I367 F372 L373 R374 S380 A382 V408 | T366-A370 WeakPolarHBondContact O-CB 3.33Å; T366-A370 PolarHBondContact O-N 3.25Å; I367-A370 PolarHBondContact O-N 3.43Å; A370-F372 VanDerWaalsContact C-N 3.33Å; A370-F372 PolarHBondContact O-N 3.35Å; A370-L373 PolarHBondContact O-N 2.98Å; A370-L373 VanDerWaalsContact O-N 3.14Å; A370-R374 PolarHBondContact O-N 2.95Å; A370-S380 VanDerWaalsContact C-OG 3.31Å; A370-S380 WeakPolarHBondContact CA-OG 3.35Å; A370-S380 PolarHBondContact O-OG 3.46Å; A370-A382 HydrophobicContact CB-CB 3.82Å; A370-V408 HydrophobicContact CB-CB 4.2Å; A370-V408 HydrophobicContact CB-CG2 3.84Å |
| 371 | E | 97.6 | Very high | 95.4 | Very high | 13 Ų | 13 | 43.7 Ų | 43.7 | 6% | 0.061 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.7 | -39.6 | -179.9 | -164 | 66.4 | -157 | 0 | 0 | 112.1 | I367 M368 L373 R374 E375 A520 T523 I524 | I367-E371 WeakPolarHBondContact O-CB 3.45Å; I367-E371 PolarHBondContact O-N 3.32Å; M368-E371 PolarHBondContact O-N 3.18Å; E371-L373 VanDerWaalsContact C-N 3.31Å; E371-L373 PolarHBondContact O-N 3.22Å; E371-R374 WeakPolarHBondContact O-CB 3.41Å; E371-R374 PolarHBondContact O-N 2.82Å; E371-R374 IonicContact OE1-NE 3.5Å; E371-R374 IonicContact OE2-CZ 3.61Å; E371-R374 IonicContact OE2-NE 3.17Å; E371-R374 PolarHBondContact OE2-NE 3.37Å; E371-R374 IonicContact OE2-NH2 2.75Å; E371-R374 PolarHBondContact OE2-NH2 3.34Å; E371-E375 WeakPolarHBondContact O-CG 3.49Å; E371-E375 PolarHBondContact O-N 3.47Å; E371-A520 HydrophobicContact CB-CB 3.82Å; E371-A520 HydrophobicContact CG-CB 3.65Å; E371-T523 VanDerWaalsContact OE1-CG2 3.23Å; E371-T523 WeakPolarHBondContact OE1-CG2 3.34Å; E371-I524 HydrophobicContact CB-CD1 3.75Å; E371-I524 HydrophobicContact CB-CG1 4.12Å; E371-I524 HydrophobicContact CG-CD1 4.16Å; E371-I524 HydrophobicContact CG-CG1 4.08Å |
| 372 | F | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -57.5 | -42.3 | 173.2 | 161.5 | -106.6 | 0 | 0 | 0 | 112.7 | P324 L327 N328 M368 V369 A370 E375 S376 A513 A516 W517 A520 | P324-F372 HydrophobicContact CB-CE1 4.11Å; P324-F372 HydrophobicContact CB-CE2 4.31Å; P324-F372 HydrophobicContact CB-CZ 3.86Å; P324-F372 WeakPolarHBondContact O-CE1 3.46Å; P324-F372 VanDerWaalsContact O-CZ 3.32Å; P324-F372 WeakPolarHBondContact O-CZ 3.47Å; L327-F372 HydrophobicContact CD2-CE1 4.47Å; N328-F372 HydrophobicContact CB-CE1 4.14Å; N328-F372 HydrophobicContact CB-CZ 3.9Å; M368-F372 WeakPolarHBondContact O-CB 3.5Å; M368-F372 PolarHBondContact O-N 3.4Å; V369-F372 PolarHBondContact O-N 3.26Å; A370-F372 VanDerWaalsContact C-N 3.33Å; A370-F372 PolarHBondContact O-N 3.35Å; F372-E375 PolarHBondContact O-N 3.28Å; F372-S376 WeakPolarHBondContact CE2-OG 3.34Å; F372-S376 WeakPolarHBondContact O-CB 3.4Å; F372-S376 PolarHBondContact O-N 3.36Å; F372-S376 PolarHBondContact O-OG 3.48Å; F372-A513 HydrophobicContact CE2-CB 4Å; F372-A513 WeakPolarHBondContact CE2-O 3.45Å; F372-A513 HydrophobicContact CZ-CB 4.07Å; F372-A516 HydrophobicContact CD2-CB 3.96Å; F372-A516 HydrophobicContact CE2-CB 3.96Å; F372-W517 HydrophobicContact CB-CE3 3.78Å; F372-W517 HydrophobicContact CB-CZ3 4.02Å; F372-W517 HydrophobicContact CD1-CE3 4.07Å; F372-W517 HydrophobicContact CD1-CZ3 4.06Å; F372-W517 HydrophobicContact CD2-CB 4.12Å; F372-W517 HydrophobicContact CD2-CD2 4.44Å; F372-W517 AromaticContact CD2-CE3 3.62Å; F372-W517 HydrophobicContact CD2-CE3 3.62Å; F372-W517 HydrophobicContact CD2-CZ3 4.41Å; F372-W517 HydrophobicContact CE2-CE3 4.21Å; F372-W517 AromaticContact CG-CE3 3.52Å; F372-W517 HydrophobicContact CG-CE3 3.52Å; F372-W517 AromaticContact CG-CZ3 3.88Å; F372-W517 HydrophobicContact CG-CZ3 3.88Å; F372-A520 HydrophobicContact CB-CB 4.35Å |
| 373 | L | 97.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -67.7 | -38.7 | 177.8 | -72.9 | 171.4 | 0 | 0 | 0 | 111.5 | L327 V331 I358 V369 A370 E371 S376 G377 H378 V406 V408 | L327-L373 HydrophobicContact CD2-CD1 4.42Å; L327-L373 HydrophobicContact CD2-CD2 4.33Å; L327-L373 HydrophobicContact CG-CD2 4.38Å; V331-L373 HydrophobicContact CG2-CD2 4.3Å; I358-L373 HydrophobicContact CD1-CD1 3.51Å; V369-L373 HydrophobicContact CG1-CD1 4.19Å; V369-L373 VanDerWaalsContact O-CG 3.31Å; V369-L373 WeakPolarHBondContact O-CG 3.41Å; V369-L373 PolarHBondContact O-N 3.25Å; A370-L373 PolarHBondContact O-N 2.98Å; A370-L373 VanDerWaalsContact O-N 3.14Å; E371-L373 VanDerWaalsContact C-N 3.31Å; E371-L373 PolarHBondContact O-N 3.22Å; L373-S376 CarbonylContact O-C 3.52Å; L373-S376 WeakPolarHBondContact O-CA 3.2Å; L373-S376 WeakPolarHBondContact O-CB 3.23Å; L373-S376 PolarHBondContact O-N 3.49Å; L373-S376 VanDerWaalsContact O-N 3.12Å; L373-G377 PolarHBondContact O-N 3.35Å; L373-G377 VanDerWaalsContact O-N 3.15Å; L373-H378 CarbonylContact C-O 3.59Å; L373-H378 HydrophobicContact CB-CB 4.29Å; L373-H378 PolarHBondContact O-N 3.2Å; L373-V406 HydrophobicContact CD1-CG1 3.92Å; L373-V408 HydrophobicContact CD1-CG2 4.26Å |
| 374 | R | 96.4 | Very high | 95.6 | Very high | 92 Ų | 92 | 28.2 Ų | 28.2 | 35% | 0.347 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -58.6 | -49.3 | 171.6 | -102.5 | -174.3 | -59.8 | -74.4 | -4.8 | 112 | A370 E371 S376 G377 H378 S380 | A370-R374 PolarHBondContact O-N 2.95Å; E371-R374 WeakPolarHBondContact O-CB 3.41Å; E371-R374 PolarHBondContact O-N 2.82Å; E371-R374 IonicContact OE1-NE 3.5Å; E371-R374 IonicContact OE2-CZ 3.61Å; E371-R374 IonicContact OE2-NE 3.17Å; E371-R374 PolarHBondContact OE2-NE 3.37Å; E371-R374 IonicContact OE2-NH2 2.75Å; E371-R374 PolarHBondContact OE2-NH2 3.34Å; R374-S376 PolarHBondContact O-N 3.17Å; R374-G377 PolarHBondContact O-N 3.04Å; R374-H378 VanDerWaalsContact CA-O 3.32Å; R374-H378 WeakPolarHBondContact CA-O 3.5Å; R374-H378 PolarHBondContact N-O 3.02Å; R374-S380 VanDerWaalsContact NH1-C 3.26Å; R374-S380 PolarHBondContact NH1-O 2.97Å; R374-S380 PolarHBondContact NH1-OG 3.11Å |
| 375 | E | 96.3 | Very high | 95.2 | Very high | 62 Ų | 62 | 24.3 Ų | 24.3 | 29% | 0.29 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -64.9 | -21.3 | 176.5 | -72 | -70.9 | 166.5 | 0 | 0 | 113 | E371 F372 G377 A516 R519 A520 T523 | E371-E375 WeakPolarHBondContact O-CG 3.49Å; E371-E375 PolarHBondContact O-N 3.47Å; F372-E375 PolarHBondContact O-N 3.28Å; E375-G377 VanDerWaalsContact C-N 3.34Å; E375-A516 HydrophobicContact CB-CB 3.95Å; E375-R519 VanDerWaalsContact CD-CB 3.5Å; E375-R519 HydrophobicContact CG-CB 3.97Å; E375-R519 VanDerWaalsContact OE2-CB 3.29Å; E375-R519 WeakPolarHBondContact OE2-CB 3.28Å; E375-R519 VanDerWaalsContact OE2-CD 3.23Å; E375-R519 WeakPolarHBondContact OE2-CD 3.18Å; E375-A520 HydrophobicContact CG-CB 4.09Å; E375-T523 PolarHBondContact OE1-OG1 2.93Å |
| 376 | S | 94.4 | Very high | 94.8 | Very high | 31 Ų | 31 | 33 Ų | 33 | 22% | 0.217 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -2.7 | 173.1 | -55.9 | 0 | 0 | 0 | 0 | 113.2 | F372 L373 R374 | F372-S376 WeakPolarHBondContact CE2-OG 3.34Å; F372-S376 WeakPolarHBondContact O-CB 3.4Å; F372-S376 PolarHBondContact O-N 3.36Å; F372-S376 PolarHBondContact O-OG 3.48Å; L373-S376 CarbonylContact O-C 3.52Å; L373-S376 WeakPolarHBondContact O-CA 3.2Å; L373-S376 WeakPolarHBondContact O-CB 3.23Å; L373-S376 PolarHBondContact O-N 3.49Å; L373-S376 VanDerWaalsContact O-N 3.12Å; R374-S376 PolarHBondContact O-N 3.17Å |
| 377 | G | 92.5 | Very high | 94.4 | Very high | 69 Ų | 69 | 35.1 Ų | 35.1 | 71% | 0.711 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 99.4 | 5.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 116 | L373 R374 E375 | L373-G377 PolarHBondContact O-N 3.35Å; L373-G377 VanDerWaalsContact O-N 3.15Å; R374-G377 PolarHBondContact O-N 3.04Å; E375-G377 VanDerWaalsContact C-N 3.34Å |
| 378 | H | 93.5 | Very high | 94 | Very high | 11 Ų | 11 | 39.7 Ų | 39.7 | 5% | 0.051 | 21% | 0.212 | C | C | . | . | trans | -98.9 | 134.4 | -178.9 | -54.7 | -64.4 | 0 | 0 | 0 | 111.6 | N328 V331 L373 R374 S380 | N328-H378 PolarHBondContact OD1-CD2 3.31Å; N328-H378 PolarHBondContact OD1-NE2 3.09Å; V331-H378 HydrophobicContact CG1-CB 4.35Å; L373-H378 CarbonylContact C-O 3.59Å; L373-H378 HydrophobicContact CB-CB 4.29Å; L373-H378 PolarHBondContact O-N 3.2Å; R374-H378 VanDerWaalsContact CA-O 3.32Å; R374-H378 WeakPolarHBondContact CA-O 3.5Å; R374-H378 PolarHBondContact N-O 3.02Å; H378-S380 PolarHBondContact O-N 2.77Å; H378-S380 VanDerWaalsContact O-N 3.17Å | ||
| 379 | S | 93.7 | Very high | 93.4 | Very high | 46 Ų | 46 | 45 Ų | 45 | 32% | 0.322 | 24% | 0.237 | S | C | . | . | trans | -72.7 | 108.6 | 175.9 | -170.7 | 0 | 0 | 0 | 0 | 110.4 | E403 V404 E405 V406 | S379-E403 PolarHBondContact OG-O 3.24Å; S379-V404 WeakPolarHBondContact OG-CA 3.25Å; S379-V404 WeakPolarHBondContact OG-CG1 3.38Å; S379-E405 PolarHBondContact O-N 3.4Å; S379-V406 PolarHBondContact O-N 3.19Å | ||
| 380 | S | 96 | Very high | 93 | Very high | 4 Ų | 4 | 51.4 Ų | 51.4 | 3% | 0.028 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 167.6 | -174.7 | 80.9 | 0 | 0 | 0 | 0 | 112.6 | A370 R374 H378 V406 | A370-S380 VanDerWaalsContact C-OG 3.31Å; A370-S380 WeakPolarHBondContact CA-OG 3.35Å; A370-S380 PolarHBondContact O-OG 3.46Å; R374-S380 VanDerWaalsContact NH1-C 3.26Å; R374-S380 PolarHBondContact NH1-O 2.97Å; R374-S380 PolarHBondContact NH1-OG 3.11Å; H378-S380 PolarHBondContact O-N 2.77Å; H378-S380 VanDerWaalsContact O-N 3.17Å; S380-V406 CarbonylContact C-O 3.47Å; S380-V406 WeakPolarHBondContact CA-O 3.34Å |
| 381 | V | 95.7 | Very high | 92.6 | Very high | 15 Ų | 15 | 54.4 Ų | 54.4 | 9% | 0.091 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 153.7 | 167.5 | 75.3 | 0 | 0 | 0 | 0 | 110.8 | V404 V406 L407 V408 | V381-V404 HydrophobicContact CB-CG2 4.1Å; V381-V404 HydrophobicContact CG1-CG2 3.74Å; V381-V406 PolarHBondContact N-O 3.43Å; V381-L407 HydrophobicContact CG1-CD1 3.53Å; V381-V408 PolarHBondContact O-N 2.93Å |
| 382 | A | 96.1 | Very high | 92.1 | Very high | 12 Ų | 12 | 55.7 Ų | 55.7 | 10% | 0.099 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 142 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | T366 I367 A370 M387 V408 | T366-A382 HydrophobicContact CG2-CB 4.05Å; I367-A382 HydrophobicContact CG1-CB 4.25Å; A370-A382 HydrophobicContact CB-CB 3.82Å; A382-M387 WeakPolarHBondContact O-CE 3.34Å; A382-M387 VanDerWaalsContact O-SD 3.42Å; A382-V408 CarbonylContact C-O 3.54Å; A382-V408 WeakPolarHBondContact CA-O 3.46Å |
| 383 | L | 94.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 105.4 | 173.4 | -172 | 72.9 | 0 | 0 | 0 | 109.9 | R392 L407 V408 A409 T410 A413 L417 | L383-R392 HydrophobicContact CD1-CB 3.97Å; L383-R392 HydrophobicContact CD1-CG 4.02Å; L383-L407 HydrophobicContact CB-CD1 3.94Å; L383-V408 PolarHBondContact N-O 3.45Å; L383-A409 HydrophobicContact CB-CB 4.13Å; L383-A409 HydrophobicContact CD2-CB 4.43Å; L383-A409 VanDerWaalsContact O-CA 3.31Å; L383-A409 WeakPolarHBondContact O-CA 3.49Å; L383-T410 PolarHBondContact O-N 3.28Å; L383-A413 HydrophobicContact CD2-CB 4.33Å; L383-A413 HydrophobicContact CG-CB 3.96Å; L383-A413 VanDerWaalsContact O-CB 3.27Å; L383-A413 WeakPolarHBondContact O-CB 3.34Å; L383-L417 HydrophobicContact CD2-CD1 3.67Å |
| 384 | T | 92.6 | Very high | 91.4 | Very high | 2 Ų | 2 | 66.7 Ų | 66.7 | 1% | 0.012 | 34% | 0.339 | C | S | . | . | trans | -122.6 | 156.9 | -176.6 | 80.7 | 0 | 0 | 0 | 0 | 112 | C363 T366 I367 R386 M387 | C363-T384 HydrophobicContact CB-CG2 4.13Å; C363-T384 WeakPolarHBondContact O-CG2 3.3Å; T366-T384 HydrophobicContact CG2-CG2 3.76Å; I367-T384 HydrophobicContact CD1-CG2 4.36Å; I367-T384 HydrophobicContact CG1-CG2 3.94Å; T384-R386 PolarHBondContact O-N 3.36Å; T384-R386 PolarHBondContact OG1-N 3Å; T384-M387 PolarHBondContact N-SD 3.36Å; T384-M387 PolarHBondContact O-N 3.08Å; T384-M387 WeakPolarHBondContact OG1-CG 3.38Å | ||
| 385 | G | 85.3 | Confident | 91.2 | Very high | 42 Ų | 42 | 62.9 Ų | 62.9 | 43% | 0.433 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -6.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 386 | R | 86.6 | Confident | 90.9 | Very high | 222 Ų | 222 | 60.8 Ų | 60.8 | 84% | 0.838 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | -4.5 | 178.2 | -69.1 | -170.2 | 176.2 | -169.4 | -3.3 | 113.7 | T384 | T384-R386 PolarHBondContact O-N 3.36Å; T384-R386 PolarHBondContact OG1-N 3Å |
| 387 | M | 87.9 | Confident | 90.7 | Very high | 45 Ų | 45 | 64 Ų | 64 | 22% | 0.222 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -76.3 | 146.8 | 178.4 | -70.4 | 167.4 | 76.3 | 0 | 0 | 110.7 | A382 T384 D391 R392 S395 | A382-M387 WeakPolarHBondContact O-CE 3.34Å; A382-M387 VanDerWaalsContact O-SD 3.42Å; T384-M387 PolarHBondContact N-SD 3.36Å; T384-M387 PolarHBondContact O-N 3.08Å; T384-M387 WeakPolarHBondContact OG1-CG 3.38Å; M387-D391 HydrophobicContact CB-CB 4.44Å; M387-D391 HydrophobicContact CE-CB 3.99Å; M387-R392 HydrophobicContact CB-CG 3.5Å; M387-R392 VanDerWaalsContact CB-CG 3.5Å; M387-S395 VanDerWaalsContact CE-OG 3.31Å; M387-S395 WeakPolarHBondContact CE-OG 3.38Å |
| 388 | K | 86.9 | Confident | 90.8 | Very high | 156 Ų | 156 | 63.5 Ų | 63.5 | 68% | 0.678 | 31% | 0.31 | S | S | * | . | trans | -63.9 | 153.5 | 171.9 | -60.5 | 178.3 | 179.4 | 177.2 | 0 | 108.9 | I390 D391 R392 | K388-I390 PolarHBondContact O-N 2.72Å; K388-D391 WeakPolarHBondContact CB-OD2 3.16Å; K388-D391 PolarHBondContact N-OD2 2.74Å; K388-D391 PolarHBondContact O-N 3.48Å; K388-R392 WeakPolarHBondContact O-CG 3.39Å; K388-R392 PolarHBondContact O-N 2.92Å | ||
| 389 | Q | 84.8 | Confident | 90.7 | Very high | 124 Ų | 124 | 63 Ų | 63 | 58% | 0.579 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -59.5 | -32.7 | -177.3 | -72.9 | -68.4 | -2.3 | 0 | 0 | 112.7 | K393 | Q389-K393 WeakPolarHBondContact O-CG 3.39Å; Q389-K393 PolarHBondContact O-N 2.81Å |
| 390 | I | 89.1 | Confident | 90.5 | Very high | 134 Ų | 134 | 64.3 Ų | 64.3 | 69% | 0.687 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -63.8 | -54.8 | 175.4 | -62.2 | 171.4 | 0 | 0 | 0 | 110 | K388 R392 K393 E394 | K388-I390 PolarHBondContact O-N 2.72Å; I390-R392 VanDerWaalsContact C-N 3.26Å; I390-R392 PolarHBondContact O-N 3.47Å; I390-K393 WeakPolarHBondContact O-CB 3.42Å; I390-K393 PolarHBondContact O-N 3.3Å; I390-E394 PolarHBondContact O-N 2.86Å |
| 391 | D | 89.4 | Confident | 90.2 | Very high | 63 Ų | 63 | 67.8 Ų | 67.8 | 34% | 0.337 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.1 | -35.6 | 179.3 | -43 | -26.8 | 0 | 0 | 0 | 112.5 | M387 K388 E394 S395 | M387-D391 HydrophobicContact CB-CB 4.44Å; M387-D391 HydrophobicContact CE-CB 3.99Å; K388-D391 WeakPolarHBondContact CB-OD2 3.16Å; K388-D391 PolarHBondContact N-OD2 2.74Å; K388-D391 PolarHBondContact O-N 3.48Å; D391-E394 PolarHBondContact O-N 2.79Å; D391-S395 WeakPolarHBondContact O-CB 2.91Å; D391-S395 PolarHBondContact O-N 2.85Å; D391-S395 PolarHBondContact O-OG 3.07Å |
| 392 | R | 88.3 | Confident | 89.8 | Confident | 40 Ų | 40 | 68.5 Ų | 68.5 | 15% | 0.151 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63.8 | -45.3 | 174.7 | -73.3 | -178.2 | 67.8 | -161.6 | 1.3 | 111.4 | L383 M387 K388 I390 L396 A413 | L383-R392 HydrophobicContact CD1-CB 3.97Å; L383-R392 HydrophobicContact CD1-CG 4.02Å; M387-R392 HydrophobicContact CB-CG 3.5Å; M387-R392 VanDerWaalsContact CB-CG 3.5Å; K388-R392 WeakPolarHBondContact O-CG 3.39Å; K388-R392 PolarHBondContact O-N 2.92Å; I390-R392 VanDerWaalsContact C-N 3.26Å; I390-R392 PolarHBondContact O-N 3.47Å; R392-L396 VanDerWaalsContact O-CB 3.28Å; R392-L396 WeakPolarHBondContact O-CB 3.3Å; R392-L396 PolarHBondContact O-N 2.97Å; R392-A413 PolarHBondContact NH2-O 3.25Å |
| 393 | K | 88.7 | Confident | 89.6 | Confident | 139 Ų | 139 | 73.6 Ų | 73.6 | 60% | 0.604 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -65.2 | -42.1 | 176.4 | -76.8 | -178.7 | -179.9 | -177.4 | 0 | 111.1 | Q389 I390 L396 N397 | Q389-K393 WeakPolarHBondContact O-CG 3.39Å; Q389-K393 PolarHBondContact O-N 2.81Å; I390-K393 WeakPolarHBondContact O-CB 3.42Å; I390-K393 PolarHBondContact O-N 3.3Å; K393-L396 PolarHBondContact O-N 3.41Å; K393-N397 VanDerWaalsContact O-CB 3.28Å; K393-N397 WeakPolarHBondContact O-CB 3.11Å; K393-N397 PolarHBondContact O-N 2.86Å; K393-N397 PolarHBondContact O-ND2 3.4Å; K393-N397 PolarHBondContact O-OD1 2.79Å |
| 394 | E | 92.1 | Very high | 89.5 | Confident | 91 Ų | 91 | 74.1 Ų | 74.1 | 43% | 0.425 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.3 | -49.2 | 177.1 | -169.6 | -165.1 | 150.9 | 0 | 0 | 111.5 | I390 D391 L396 N397 K398 | I390-E394 PolarHBondContact O-N 2.86Å; D391-E394 PolarHBondContact O-N 2.79Å; E394-L396 VanDerWaalsContact C-N 3.3Å; E394-L396 PolarHBondContact O-N 3.17Å; E394-N397 PolarHBondContact O-N 3.49Å; E394-N397 VanDerWaalsContact O-N 3.17Å; E394-K398 WeakPolarHBondContact O-CG 3.4Å; E394-K398 PolarHBondContact O-N 3.12Å; E394-K398 WeakPolarHBondContact OE1-CE 3.44Å; E394-K398 IonicContact OE1-NZ 3.72Å; E394-K398 PolarHBondContact OE1-NZ 3.14Å |
| 395 | S | 91.7 | Very high | 89.4 | Confident | 13 Ų | 13 | 76.5 Ų | 76.5 | 9% | 0.091 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.4 | -38.9 | 178.6 | -61.3 | 0 | 0 | 0 | 0 | 112.2 | M387 D391 F399 | M387-S395 VanDerWaalsContact CE-OG 3.31Å; M387-S395 WeakPolarHBondContact CE-OG 3.38Å; D391-S395 WeakPolarHBondContact O-CB 2.91Å; D391-S395 PolarHBondContact O-N 2.85Å; D391-S395 PolarHBondContact O-OG 3.07Å; S395-F399 PolarHBondContact O-N 2.95Å |
| 396 | L | 89.8 | Confident | 89.9 | Confident | 18 Ų | 18 | 74.5 Ų | 74.5 | 9% | 0.094 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -66.6 | -44.2 | 174.3 | -178.2 | 63.6 | 0 | 0 | 0 | 111.1 | R392 K393 E394 K398 F399 I400 L417 I419 | R392-L396 VanDerWaalsContact O-CB 3.28Å; R392-L396 WeakPolarHBondContact O-CB 3.3Å; R392-L396 PolarHBondContact O-N 2.97Å; K393-L396 PolarHBondContact O-N 3.41Å; E394-L396 VanDerWaalsContact C-N 3.3Å; E394-L396 PolarHBondContact O-N 3.17Å; L396-K398 VanDerWaalsContact C-N 3.34Å; L396-K398 PolarHBondContact O-N 3.22Å; L396-F399 WeakPolarHBondContact O-CB 3.44Å; L396-F399 PolarHBondContact O-N 3.29Å; L396-F399 VanDerWaalsContact O-N 3.09Å; L396-I400 HydrophobicContact CD1-CD1 4.03Å; L396-I400 HydrophobicContact CD1-CG1 4.23Å; L396-I400 HydrophobicContact CD2-CD1 4.2Å; L396-I400 HydrophobicContact CG-CD1 3.69Å; L396-I400 HydrophobicContact CG-CG1 4.25Å; L396-I400 VanDerWaalsContact O-CG1 3.31Å; L396-I400 WeakPolarHBondContact O-CG1 3.36Å; L396-I400 PolarHBondContact O-N 3.3Å; L396-L417 HydrophobicContact CD2-CB 4.47Å; L396-L417 HydrophobicContact CD2-CD1 4.24Å; L396-L417 HydrophobicContact CD2-CD2 4.12Å; L396-I419 HydrophobicContact CD1-CG1 4.13Å |
| 397 | N | 91.1 | Very high | 90.3 | Very high | 97 Ų | 97 | 63.9 Ų | 63.9 | 52% | 0.519 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.6 | -41.5 | 178.7 | -74 | -11.3 | 0 | 0 | 0 | 111.5 | K393 E394 F399 I400 S401 | K393-N397 VanDerWaalsContact O-CB 3.28Å; K393-N397 WeakPolarHBondContact O-CB 3.11Å; K393-N397 PolarHBondContact O-N 2.86Å; K393-N397 PolarHBondContact O-ND2 3.4Å; K393-N397 PolarHBondContact O-OD1 2.79Å; E394-N397 PolarHBondContact O-N 3.49Å; E394-N397 VanDerWaalsContact O-N 3.17Å; N397-F399 PolarHBondContact O-N 2.68Å; N397-I400 PolarHBondContact O-N 3.06Å; N397-S401 VanDerWaalsContact O-CB 3.25Å; N397-S401 WeakPolarHBondContact O-CB 3.43Å; N397-S401 PolarHBondContact O-N 3.22Å; N397-S401 PolarHBondContact O-OG 3.37Å |
| 398 | K | 93 | Very high | 90.8 | Very high | 59 Ų | 59 | 61.8 Ų | 61.8 | 26% | 0.257 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -56.2 | -38.2 | 173.3 | -75.3 | 175.3 | 163.9 | 164 | 0 | 112.4 | E394 L396 S401 E403 V404 | E394-K398 WeakPolarHBondContact O-CG 3.4Å; E394-K398 PolarHBondContact O-N 3.12Å; E394-K398 WeakPolarHBondContact OE1-CE 3.44Å; E394-K398 IonicContact OE1-NZ 3.72Å; E394-K398 PolarHBondContact OE1-NZ 3.14Å; L396-K398 VanDerWaalsContact C-N 3.34Å; L396-K398 PolarHBondContact O-N 3.22Å; K398-S401 PolarHBondContact O-OG 2.84Å; K398-E403 HydrophobicContact CB-CB 4.49Å; K398-E403 WeakPolarHBondContact O-CB 3.31Å; K398-E403 PolarHBondContact O-N 3.37Å; K398-V404 HydrophobicContact CB-CG1 4.3Å; K398-V404 HydrophobicContact CB-CG2 4.15Å; K398-V404 PolarHBondContact O-N 2.82Å; K398-V404 VanDerWaalsContact O-N 3.09Å |
| 399 | F | 92.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -75.4 | -43.7 | 177.5 | -176.3 | -111.5 | 0 | 0 | 0 | 112 | H355 S395 L396 N397 S402 V404 L407 I419 V422 | H355-F399 HydrophobicContact CB-CE2 4.24Å; H355-F399 HydrophobicContact CB-CZ 3.9Å; H355-F399 PolarHBondContact CE1-O 2.94Å; H355-F399 AromaticContact ND1-CE2 3.7Å; H355-F399 AromaticContact ND1-CZ 3.9Å; S395-F399 PolarHBondContact O-N 2.95Å; L396-F399 WeakPolarHBondContact O-CB 3.44Å; L396-F399 PolarHBondContact O-N 3.29Å; L396-F399 VanDerWaalsContact O-N 3.09Å; N397-F399 PolarHBondContact O-N 2.68Å; F399-S402 PolarHBondContact O-N 3.31Å; F399-S402 VanDerWaalsContact O-N 3.16Å; F399-V404 HydrophobicContact CB-CG2 3.94Å; F399-V404 HydrophobicContact CD2-CG2 4.15Å; F399-L407 HydrophobicContact CD1-CB 4.06Å; F399-L407 HydrophobicContact CD1-CD2 3.83Å; F399-L407 HydrophobicContact CD2-CB 3.62Å; F399-L407 HydrophobicContact CE1-CB 4.1Å; F399-L407 HydrophobicContact CE1-CD2 4.08Å; F399-L407 HydrophobicContact CE2-CB 3.65Å; F399-L407 HydrophobicContact CG-CB 3.81Å; F399-L407 HydrophobicContact CG-CD2 4.22Å; F399-L407 HydrophobicContact CG-CG 4.45Å; F399-L407 HydrophobicContact CZ-CB 3.88Å; F399-I419 HydrophobicContact CD1-CG2 4.19Å; F399-I419 HydrophobicContact CE1-CG2 3.78Å; F399-V422 HydrophobicContact CE1-CG1 3.73Å; F399-V422 HydrophobicContact CZ-CG1 3.61Å |
| 400 | I | 89.5 | Confident | 91.7 | Very high | 75 Ų | 75 | 48.8 Ų | 48.8 | 39% | 0.385 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -65.2 | -41 | 178.8 | -64.8 | 176.1 | 0 | 0 | 0 | 111.4 | L396 N397 S402 P420 | L396-I400 HydrophobicContact CD1-CD1 4.03Å; L396-I400 HydrophobicContact CD1-CG1 4.23Å; L396-I400 HydrophobicContact CD2-CD1 4.2Å; L396-I400 HydrophobicContact CG-CD1 3.69Å; L396-I400 HydrophobicContact CG-CG1 4.25Å; L396-I400 VanDerWaalsContact O-CG1 3.31Å; L396-I400 WeakPolarHBondContact O-CG1 3.36Å; L396-I400 PolarHBondContact O-N 3.3Å; N397-I400 PolarHBondContact O-N 3.06Å; I400-S402 PolarHBondContact O-N 3.02Å; I400-S402 VanDerWaalsContact O-N 3.17Å; I400-P420 HydrophobicContact CB-CG 4.48Å; I400-P420 HydrophobicContact CG1-CG 3.93Å |
| 401 | S | 89.8 | Confident | 91.6 | Very high | 76 Ų | 76 | 44.1 Ų | 44.1 | 53% | 0.531 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -2.5 | 176.9 | 67.8 | 0 | 0 | 0 | 0 | 113.3 | N397 K398 E403 | N397-S401 VanDerWaalsContact O-CB 3.25Å; N397-S401 WeakPolarHBondContact O-CB 3.43Å; N397-S401 PolarHBondContact O-N 3.22Å; N397-S401 PolarHBondContact O-OG 3.37Å; K398-S401 PolarHBondContact O-OG 2.84Å; S401-E403 PolarHBondContact O-N 3.29Å |
| 402 | S | 87.4 | Confident | 91.1 | Very high | 31 Ų | 31 | 46.2 Ų | 46.2 | 22% | 0.217 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | 27.8 | -175.3 | -46.9 | 0 | 0 | 0 | 0 | 113.8 | K353 H355 F399 I400 | K353-S402 PolarHBondContact NZ-O 3.04Å; H355-S402 PolarHBondContact CE1-OG 3.06Å; H355-S402 PolarHBondContact NE2-OG 2.9Å; F399-S402 PolarHBondContact O-N 3.31Å; F399-S402 VanDerWaalsContact O-N 3.16Å; I400-S402 PolarHBondContact O-N 3.02Å; I400-S402 VanDerWaalsContact O-N 3.17Å |
| 403 | E | 90.7 | Very high | 90.5 | Very high | 119 Ų | 119 | 44.3 Ų | 44.3 | 56% | 0.556 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -71.6 | -35.8 | 167.4 | -174.2 | -173.8 | 145.8 | 0 | 0 | 110.3 | S379 K398 S401 | S379-E403 PolarHBondContact OG-O 3.24Å; K398-E403 HydrophobicContact CB-CB 4.49Å; K398-E403 WeakPolarHBondContact O-CB 3.31Å; K398-E403 PolarHBondContact O-N 3.37Å; S401-E403 PolarHBondContact O-N 3.29Å |
| 404 | V | 92.5 | Very high | 89.9 | Confident | 10 Ų | 10 | 38.1 Ų | 38.1 | 6% | 0.061 | 21% | 0.206 | C | C | . | . | trans | -118.7 | 142.1 | 172.8 | -53.3 | 0 | 0 | 0 | 0 | 111.5 | S379 V381 K398 F399 | S379-V404 WeakPolarHBondContact OG-CA 3.25Å; S379-V404 WeakPolarHBondContact OG-CG1 3.38Å; V381-V404 HydrophobicContact CB-CG2 4.1Å; V381-V404 HydrophobicContact CG1-CG2 3.74Å; K398-V404 HydrophobicContact CB-CG1 4.3Å; K398-V404 HydrophobicContact CB-CG2 4.15Å; K398-V404 PolarHBondContact O-N 2.82Å; K398-V404 VanDerWaalsContact O-N 3.09Å; F399-V404 HydrophobicContact CB-CG2 3.94Å; F399-V404 HydrophobicContact CD2-CG2 4.15Å | ||
| 405 | E | 91.1 | Very high | 89.1 | Confident | 52 Ų | 52 | 40.4 Ų | 40.4 | 24% | 0.243 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -91.6 | -26.7 | -175.8 | -64.6 | 173.7 | 161.2 | 0 | 0 | 111.5 | I356 S379 | I356-E405 PolarHBondContact N-O 3.07Å; S379-E405 PolarHBondContact O-N 3.4Å |
| 406 | V | 95.2 | Very high | 88 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 118.3 | -173.5 | -170.4 | 0 | 0 | 0 | 0 | 112.4 | V331 I335 I356 I358 L373 S379 S380 V381 V408 | V331-V406 HydrophobicContact CG1-CG2 4.22Å; I335-V406 HydrophobicContact CD1-CG2 4.31Å; I356-V406 HydrophobicContact CB-CG1 4.33Å; I356-V406 HydrophobicContact CB-CG2 4.24Å; I356-V406 HydrophobicContact CG2-CG1 4.39Å; I356-V406 CarbonylContact O-C 3.45Å; I356-V406 WeakPolarHBondContact O-CA 3.48Å; I358-V406 HydrophobicContact CD1-CG1 3.44Å; I358-V406 VanDerWaalsContact CD1-CG1 3.44Å; I358-V406 HydrophobicContact CG1-CG1 3.94Å; L373-V406 HydrophobicContact CD1-CG1 3.92Å; S379-V406 PolarHBondContact O-N 3.19Å; S380-V406 CarbonylContact C-O 3.47Å; S380-V406 WeakPolarHBondContact CA-O 3.34Å; V381-V406 PolarHBondContact N-O 3.43Å; V406-V408 HydrophobicContact CG1-CG2 4.35Å |
| 407 | L | 95.9 | Very high | 87 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 116.6 | 171.9 | -179.5 | 64.4 | 0 | 0 | 0 | 110.6 | I356 M357 I358 V381 L383 F399 I419 | I356-L407 PolarHBondContact O-N 3.09Å; M357-L407 CarbonylContact C-O 3.38Å; M357-L407 WeakPolarHBondContact CA-O 3.4Å; M357-L407 HydrophobicContact CE-CD2 4.06Å; I358-L407 PolarHBondContact N-O 3.27Å; V381-L407 HydrophobicContact CG1-CD1 3.53Å; L383-L407 HydrophobicContact CB-CD1 3.94Å; F399-L407 HydrophobicContact CD1-CB 4.06Å; F399-L407 HydrophobicContact CD1-CD2 3.83Å; F399-L407 HydrophobicContact CD2-CB 3.62Å; F399-L407 HydrophobicContact CE1-CB 4.1Å; F399-L407 HydrophobicContact CE1-CD2 4.08Å; F399-L407 HydrophobicContact CE2-CB 3.65Å; F399-L407 HydrophobicContact CG-CB 3.81Å; F399-L407 HydrophobicContact CG-CD2 4.22Å; F399-L407 HydrophobicContact CG-CG 4.45Å; F399-L407 HydrophobicContact CZ-CB 3.88Å; L407-I419 HydrophobicContact CD2-CD1 4.25Å |
| 408 | V | 97.4 | Very high | 86.2 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 122.4 | 173.5 | -162.9 | 0 | 0 | 0 | 0 | 108.7 | I358 T366 V369 A370 L373 V381 A382 L383 V406 | I358-V408 HydrophobicContact CB-CB 4.47Å; I358-V408 HydrophobicContact CB-CG1 4.11Å; I358-V408 HydrophobicContact CB-CG2 4.32Å; I358-V408 HydrophobicContact CD1-CG2 4.28Å; I358-V408 HydrophobicContact CG2-CG1 4.15Å; I358-V408 CarbonylContact O-C 3.56Å; I358-V408 WeakPolarHBondContact O-CA 3.38Å; T366-V408 VanDerWaalsContact CG2-C 3.43Å; T366-V408 HydrophobicContact CG2-CB 4Å; T366-V408 HydrophobicContact CG2-CG1 3.81Å; T366-V408 WeakPolarHBondContact CG2-O 3.37Å; V369-V408 HydrophobicContact CB-CG1 4.07Å; V369-V408 HydrophobicContact CG1-CG1 3.87Å; V369-V408 HydrophobicContact CG1-CG2 4.21Å; A370-V408 HydrophobicContact CB-CB 4.2Å; A370-V408 HydrophobicContact CB-CG2 3.84Å; L373-V408 HydrophobicContact CD1-CG2 4.26Å; V381-V408 PolarHBondContact O-N 2.93Å; A382-V408 CarbonylContact C-O 3.54Å; A382-V408 WeakPolarHBondContact CA-O 3.46Å; L383-V408 PolarHBondContact N-O 3.45Å; V406-V408 HydrophobicContact CG1-CG2 4.35Å |
| 409 | A | 95.8 | Very high | 85.4 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 157.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114 | M357 I358 F359 C360 L383 | M357-A409 HydrophobicContact CE-CB 3.86Å; I358-A409 PolarHBondContact O-N 3.25Å; F359-A409 WeakPolarHBondContact CA-O 3.45Å; C360-A409 PolarHBondContact N-O 3.02Å; L383-A409 HydrophobicContact CB-CB 4.13Å; L383-A409 HydrophobicContact CD2-CB 4.43Å; L383-A409 VanDerWaalsContact O-CA 3.31Å; L383-A409 WeakPolarHBondContact O-CA 3.49Å |
| 410 | T | 94.2 | Very high | 84.4 | Confident | 8 Ų | 8 | 46.6 Ų | 46.6 | 5% | 0.049 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 157.5 | 161.1 | 67.2 | 0 | 0 | 0 | 0 | 110.8 | T366 L383 V412 A413 S414 | T366-T410 WeakPolarHBondContact OG1-CG2 3.47Å; L383-T410 PolarHBondContact O-N 3.28Å; T410-V412 VanDerWaalsContact C-N 3.26Å; T410-V412 PolarHBondContact O-N 3.12Å; T410-A413 PolarHBondContact O-N 3.12Å; T410-A413 WeakPolarHBondContact OG1-CB 3.32Å; T410-A413 PolarHBondContact OG1-N 2.93Å; T410-S414 PolarHBondContact O-N 3.05Å; T410-S414 VanDerWaalsContact O-N 3.07Å; T410-S414 PolarHBondContact O-OG 3.23Å |
| 411 | D | 87.5 | Confident | 83.9 | Confident | 36 Ų | 36 | 44.8 Ų | 44.8 | 19% | 0.193 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -54.1 | -41.7 | 178.9 | -69.2 | -59 | 0 | 0 | 0 | 113.4 | A413 S414 R415 T436 R440 | D411-A413 VanDerWaalsContact C-N 3.32Å; D411-S414 PolarHBondContact O-OG 3.34Å; D411-R415 VanDerWaalsContact O-CG 3.23Å; D411-R415 WeakPolarHBondContact O-CG 3.3Å; D411-R415 PolarHBondContact O-N 2.98Å; D411-T436 WeakPolarHBondContact OD1-CG2 3.33Å; D411-R440 IonicContact OD1-CZ 3.16Å; D411-R440 IonicContact OD1-NE 3.65Å; D411-R440 PolarHBondContact OD1-NE 3.09Å; D411-R440 IonicContact OD1-NH2 3.62Å; D411-R440 PolarHBondContact OD1-NH2 3.03Å; D411-R440 IonicContact OD2-CZ 3.92Å; D411-R440 IonicContact OD2-NE 2.67Å; D411-R440 IonicContact OD2-NH2 2.75Å; D411-R440 PolarHBondContact OD2-NH2 3.2Å |
| 412 | V | 79 | Confident | 83.8 | Confident | 106 Ų | 106 | 41.2 Ų | 41.2 | 64% | 0.642 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -65.6 | -41.2 | -179.3 | 177.8 | 0 | 0 | 0 | 0 | 110 | T410 | T410-V412 VanDerWaalsContact C-N 3.26Å; T410-V412 PolarHBondContact O-N 3.12Å |
| 413 | A | 75.4 | Confident | 83.8 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -73.5 | -29.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L383 R392 T410 D411 L417 | L383-A413 HydrophobicContact CD2-CB 4.33Å; L383-A413 HydrophobicContact CG-CB 3.96Å; L383-A413 VanDerWaalsContact O-CB 3.27Å; L383-A413 WeakPolarHBondContact O-CB 3.34Å; R392-A413 PolarHBondContact NH2-O 3.25Å; T410-A413 PolarHBondContact O-N 3.12Å; T410-A413 WeakPolarHBondContact OG1-CB 3.32Å; T410-A413 PolarHBondContact OG1-N 2.93Å; D411-A413 VanDerWaalsContact C-N 3.32Å; A413-L417 WeakPolarHBondContact O-CD1 3.32Å |
| 414 | S | 75.7 | Confident | 83.8 | Confident | 9 Ų | 9 | 35 Ų | 35 | 6% | 0.063 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -86.7 | -12.6 | -179.8 | 60.4 | 0 | 0 | 0 | 0 | 115.2 | F359 T410 D411 | F359-S414 WeakPolarHBondContact CE1-OG 3.22Å; T410-S414 PolarHBondContact O-N 3.05Å; T410-S414 VanDerWaalsContact O-N 3.07Å; T410-S414 PolarHBondContact O-OG 3.23Å; D411-S414 PolarHBondContact O-OG 3.34Å |
| 415 | R | 75.7 | Confident | 83.9 | Confident | 139 Ų | 139 | 34.6 Ų | 34.6 | 53% | 0.525 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | 139.2 | -178.6 | -83.8 | 170 | -174 | -161.4 | 3.9 | 110.7 | D411 L417 | D411-R415 VanDerWaalsContact O-CG 3.23Å; D411-R415 WeakPolarHBondContact O-CG 3.3Å; D411-R415 PolarHBondContact O-N 2.98Å; R415-L417 PolarHBondContact O-N 2.77Å |
| 416 | G | 68.5 | Low | 84.2 | Confident | 86 Ų | 86 | 32.1 Ų | 32.1 | 89% | 0.887 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71.8 | 0.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 417 | L | 70.2 | Confident | 84.3 | Confident | 43 Ų | 43 | 32.1 Ų | 32.1 | 23% | 0.225 | 19% | 0.187 | C | C | . | . | trans | -89.2 | 130.6 | 172.7 | -62.7 | 177 | 0 | 0 | 0 | 109.6 | L383 L396 A413 R415 I419 | L383-L417 HydrophobicContact CD2-CD1 3.67Å; L396-L417 HydrophobicContact CD2-CB 4.47Å; L396-L417 HydrophobicContact CD2-CD1 4.24Å; L396-L417 HydrophobicContact CD2-CD2 4.12Å; A413-L417 WeakPolarHBondContact O-CD1 3.32Å; R415-L417 PolarHBondContact O-N 2.77Å; L417-I419 VanDerWaalsContact C-N 3.32Å; L417-I419 HydrophobicContact CB-CD1 4.43Å; L417-I419 HydrophobicContact CB-CG1 3.97Å; L417-I419 PolarHBondContact O-N 3.03Å; L417-I419 VanDerWaalsContact O-N 3.07Å | ||
| 418 | D | 72.6 | Confident | 84.4 | Confident | 140 Ų | 140 | 32.6 Ų | 32.6 | 75% | 0.749 | 19% | 0.188 | S | C | * | . | trans | -78.4 | 87.2 | 168.7 | -167.9 | 23.7 | 0 | 0 | 0 | 109 | ||||
| 419 | I | 77.1 | Confident | 84.3 | Confident | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | P | Polyproline II helix | trans | -86.5 | 132.7 | 176.7 | -55.8 | 175.2 | 0 | 0 | 0 | 107.2 | M357 L396 F399 L407 L417 V422 R446 | M357-I419 HydrophobicContact CE-CD1 3.48Å; M357-I419 VanDerWaalsContact CE-CD1 3.48Å; M357-I419 HydrophobicContact SD-CD1 4.01Å; L396-I419 HydrophobicContact CD1-CG1 4.13Å; F399-I419 HydrophobicContact CD1-CG2 4.19Å; F399-I419 HydrophobicContact CE1-CG2 3.78Å; L407-I419 HydrophobicContact CD2-CD1 4.25Å; L417-I419 VanDerWaalsContact C-N 3.32Å; L417-I419 HydrophobicContact CB-CD1 4.43Å; L417-I419 HydrophobicContact CB-CG1 3.97Å; L417-I419 PolarHBondContact O-N 3.03Å; L417-I419 VanDerWaalsContact O-N 3.07Å; I419-V422 HydrophobicContact CG2-CG1 4.32Å; I419-R446 PolarHBondContact O-NH1 3.38Å |
| 420 | P | 71 | Confident | 84.1 | Confident | 47 Ų | 47 | 34.3 Ų | 34.3 | 31% | 0.305 | 20% | 0.198 | S | C | . | . | P | Polyproline II helix | trans | -56.8 | 165 | 175.3 | 24.2 | -34.4 | 0 | 0 | 0 | 111.2 | I400 V422 | I400-P420 HydrophobicContact CB-CG 4.48Å; I400-P420 HydrophobicContact CG1-CG 3.93Å; P420-V422 PolarHBondContact O-N 3.14Å |
| 421 | H | 78.7 | Confident | 84 | Confident | 38 Ų | 38 | 34 Ų | 34 | 18% | 0.176 | 20% | 0.196 | C | C | . | . | P | Polyproline II helix | trans | -55.5 | 124.7 | 177.3 | 179.2 | 84.5 | 0 | 0 | 0 | 110.3 | A445 R446 Q449 | H421-A445 PolarHBondContact CE1-N 3.31Å; H421-A445 VanDerWaalsContact CE1-N 3.28Å; H421-R446 PolarHBondContact CE1-N 3.17Å; H421-R446 VanDerWaalsContact CE1-N 3.31Å; H421-R446 PolarHBondContact ND1-N 3.36Å; H421-R446 VanDerWaalsContact ND1-N 3.17Å; H421-Q449 PolarHBondContact CD2-OE1 3.4Å; H421-Q449 PolarHBondContact NE2-OE1 3.06Å |
| 422 | V | 88.7 | Confident | 83.9 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | -104 | 139.3 | 172.2 | -60.8 | 0 | 0 | 0 | 0 | 108.8 | H355 M357 F399 I419 P420 V425 R443 T444 | H355-V422 HydrophobicContact CB-CB 4.39Å; H355-V422 HydrophobicContact CB-CG1 4.22Å; M357-V422 HydrophobicContact CB-CB 4.45Å; M357-V422 HydrophobicContact CB-CG1 4.24Å; M357-V422 HydrophobicContact CB-CG2 4.14Å; F399-V422 HydrophobicContact CE1-CG1 3.73Å; F399-V422 HydrophobicContact CZ-CG1 3.61Å; I419-V422 HydrophobicContact CG2-CG1 4.32Å; P420-V422 PolarHBondContact O-N 3.14Å; V422-V425 HydrophobicContact CG2-CG2 3.69Å; V422-R443 HydrophobicContact CG2-CB 3.84Å; V422-R443 WeakPolarHBondContact CG2-O 3.08Å; V422-T444 VanDerWaalsContact O-CA 3.24Å; V422-T444 WeakPolarHBondContact O-CA 3.43Å; V422-T444 WeakPolarHBondContact O-CB 3.47Å; V422-T444 PolarHBondContact O-OG1 2.85Å | ||
| 423 | E | 86.9 | Confident | 84.2 | Confident | 21 Ų | 21 | 35.9 Ų | 35.9 | 10% | 0.098 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -80.9 | -31.6 | -177.6 | -65 | 176.3 | -163.6 | 0 | 0 | 111.7 | F348 H354 H355 T444 V452 | F348-E423 HydrophobicContact CE2-CG 4.33Å; F348-E423 HydrophobicContact CZ-CG 4.05Å; H354-E423 IonicContact CE1-OE2 2.93Å; H354-E423 IonicContact CG-OE2 3.54Å; H354-E423 IonicContact ND1-OE2 3.23Å; H354-E423 PolarHBondContact ND1-OE2 3.19Å; H355-E423 PolarHBondContact O-N 3.14Å; E423-T444 PolarHBondContact O-OG1 3.02Å; E423-V452 PolarHBondContact O-N 3.38Å |
| 424 | F | 91.7 | Very high | 84.6 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 126.8 | -174.7 | -153.5 | -102.8 | 0 | 0 | 0 | 112.1 | V330 V334 L340 H355 I356 M357 I426 V452 L454 W493 | V330-F424 HydrophobicContact CG1-CE1 3.69Å; V330-F424 HydrophobicContact CG1-CZ 4.03Å; V334-F424 HydrophobicContact CG1-CB 4.2Å; V334-F424 HydrophobicContact CG1-CD2 4.33Å; V334-F424 HydrophobicContact CG1-CG 4.15Å; V334-F424 HydrophobicContact CG2-CD1 4.21Å; V334-F424 HydrophobicContact CG2-CD2 4.12Å; V334-F424 HydrophobicContact CG2-CE1 4.06Å; V334-F424 HydrophobicContact CG2-CE2 4Å; V334-F424 HydrophobicContact CG2-CG 4.26Å; V334-F424 HydrophobicContact CG2-CZ 3.99Å; L340-F424 HydrophobicContact CD1-CD2 3.67Å; L340-F424 HydrophobicContact CD1-CE2 3.83Å; L340-F424 HydrophobicContact CD2-CE2 4.04Å; H355-F424 PolarHBondContact O-N 3.38Å; I356-F424 CarbonylContact C-O 3.58Å; I356-F424 WeakPolarHBondContact CA-O 3.35Å; I356-F424 HydrophobicContact CG1-CB 4.12Å; I356-F424 HydrophobicContact CG2-CB 4.39Å; I356-F424 HydrophobicContact CG2-CD1 4.25Å; M357-F424 PolarHBondContact N-O 2.94Å; F424-I426 HydrophobicContact CD1-CD1 3.9Å; F424-I426 HydrophobicContact CD1-CG1 3.55Å; F424-I426 HydrophobicContact CE1-CD1 3.73Å; F424-I426 HydrophobicContact CE1-CG1 3.47Å; F424-I426 VanDerWaalsContact CE1-CG1 3.47Å; F424-V452 CarbonylContact C-O 3.4Å; F424-V452 WeakPolarHBondContact CA-O 3.38Å; F424-V452 HydrophobicContact CD2-CB 3.59Å; F424-V452 HydrophobicContact CD2-CG1 3.92Å; F424-V452 HydrophobicContact CE2-CB 3.61Å; F424-V452 HydrophobicContact CE2-CG1 3.37Å; F424-V452 HydrophobicContact CZ-CG1 4.27Å; F424-L454 HydrophobicContact CE1-CB 4.12Å; F424-L454 HydrophobicContact CZ-CB 3.94Å; F424-L454 HydrophobicContact CZ-CD2 4.4Å; F424-W493 AromaticContact CE2-CH2 3.94Å; F424-W493 HydrophobicContact CE2-CH2 3.94Å; F424-W493 HydrophobicContact CE2-CZ3 4.18Å; F424-W493 AromaticContact CZ-CH2 3.62Å; F424-W493 HydrophobicContact CZ-CH2 3.62Å; F424-W493 AromaticContact CZ-CZ3 3.89Å; F424-W493 HydrophobicContact CZ-CZ3 3.89Å |
| 425 | V | 94.3 | Very high | 85 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 130.9 | 174.8 | 172.9 | 0 | 0 | 0 | 0 | 109.8 | M357 F359 V422 R443 T444 V452 A453 L454 | M357-V425 CarbonylContact O-C 3.53Å; M357-V425 VanDerWaalsContact O-CA 3.31Å; M357-V425 WeakPolarHBondContact O-CA 3.32Å; F359-V425 HydrophobicContact CD2-CG1 3.88Å; F359-V425 HydrophobicContact CE2-CG1 3.85Å; V422-V425 HydrophobicContact CG2-CG2 3.69Å; V425-R443 HydrophobicContact CG2-CB 3.99Å; V425-T444 HydrophobicContact CB-CG2 4.44Å; V425-T444 HydrophobicContact CG2-CG2 3.94Å; V425-V452 PolarHBondContact N-O 2.87Å; V425-A453 HydrophobicContact CB-CB 4.21Å; V425-A453 CarbonylContact O-C 3.6Å; V425-A453 VanDerWaalsContact O-CA 3.27Å; V425-A453 WeakPolarHBondContact O-CA 3.46Å; V425-L454 PolarHBondContact O-N 2.8Å |
| 426 | I | 97.3 | Very high | 85.7 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 116 | 174.4 | -52.1 | -179.3 | 0 | 0 | 0 | 109.9 | L327 V330 V331 I356 M357 I358 F359 F424 Y428 L454 L456 | L327-I426 HydrophobicContact CD1-CD1 3.85Å; L327-I426 HydrophobicContact CD1-CG2 4.1Å; V330-I426 HydrophobicContact CG1-CD1 4.06Å; V331-I426 HydrophobicContact CG2-CD1 4.05Å; I356-I426 HydrophobicContact CG2-CD1 4.16Å; I356-I426 HydrophobicContact CG2-CG1 4.33Å; M357-I426 PolarHBondContact O-N 3.5Å; I358-I426 CarbonylContact C-O 3.59Å; I358-I426 VanDerWaalsContact CA-O 3.31Å; I358-I426 WeakPolarHBondContact CA-O 3.27Å; I358-I426 HydrophobicContact CG1-CB 4.14Å; I358-I426 HydrophobicContact CG1-CD1 4.34Å; I358-I426 HydrophobicContact CG1-CG1 4.48Å; I358-I426 HydrophobicContact CG2-CB 4.4Å; F359-I426 PolarHBondContact N-O 3.25Å; F424-I426 HydrophobicContact CD1-CD1 3.9Å; F424-I426 HydrophobicContact CD1-CG1 3.55Å; F424-I426 HydrophobicContact CE1-CD1 3.73Å; F424-I426 HydrophobicContact CE1-CG1 3.47Å; F424-I426 VanDerWaalsContact CE1-CG1 3.47Å; I426-Y428 PolarHBondContact O-N 2.86Å; I426-Y428 VanDerWaalsContact O-N 3.15Å; I426-L454 CarbonylContact C-O 3.49Å; I426-L454 WeakPolarHBondContact CA-O 3.47Å; I426-L456 HydrophobicContact CG2-CD1 4.43Å; I426-L456 HydrophobicContact CG2-CG 4.3Å |
| 427 | N | 97.3 | Very high | 86.8 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 92.1 | 163.7 | -65.5 | -47.7 | 0 | 0 | 0 | 108.6 | N429 R440 L454 T455 L456 | N427-N429 VanDerWaalsContact C-N 3.26Å; N427-N429 PolarHBondContact O-N 3.5Å; N427-R440 WeakPolarHBondContact OD1-CD 3.47Å; N427-R440 PolarHBondContact OD1-NH1 3.08Å; N427-L454 PolarHBondContact N-O 3.5Å; N427-T455 HydrophobicContact CB-CG2 3.94Å; N427-T455 PolarHBondContact ND2-OG1 2.86Å; N427-L456 PolarHBondContact O-N 3.45Å; N427-L456 VanDerWaalsContact O-N 3.07Å |
| 428 | Y | 97.6 | Very high | 87.5 | Confident | 9 Ų | 9 | 36.3 Ų | 36.3 | 4% | 0.035 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -62.9 | -36.5 | 176.3 | -175.2 | -102.4 | 0 | 0 | 0 | 111.6 | R323 L327 F359 E365 V369 I426 L456 | R323-Y428 HydrophobicContact CG-CD2 4.22Å; R323-Y428 HydrophobicContact CG-CE2 3.55Å; L327-Y428 HydrophobicContact CB-CE2 4.31Å; L327-Y428 HydrophobicContact CD1-CD2 4.35Å; L327-Y428 HydrophobicContact CD2-CD2 3.81Å; L327-Y428 HydrophobicContact CD2-CE2 3.77Å; L327-Y428 HydrophobicContact CG-CD2 4.45Å; F359-Y428 WeakPolarHBondContact O-CB 3.33Å; F359-Y428 PolarHBondContact O-N 3Å; E365-Y428 HydrophobicContact CG-CD1 4.37Å; E365-Y428 HydrophobicContact CG-CE1 4.09Å; E365-Y428 WeakPolarHBondContact OE1-CE1 3.43Å; V369-Y428 HydrophobicContact CG2-CD1 4.29Å; V369-Y428 HydrophobicContact CG2-CE1 3.9Å; V369-Y428 HydrophobicContact CG2-CE2 4.34Å; I426-Y428 PolarHBondContact O-N 2.86Å; I426-Y428 VanDerWaalsContact O-N 3.15Å; Y428-L456 HydrophobicContact CD2-CD1 4.06Å |
| 429 | N | 95.2 | Very high | 88.2 | Confident | 22 Ų | 22 | 33.5 Ų | 33.5 | 12% | 0.118 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -116.1 | 139.5 | 165.7 | -47.6 | 94.4 | 0 | 0 | 0 | 110.2 | F359 C360 K361 E365 N427 R440 | F359-N429 PolarHBondContact O-N 3.07Å; C360-N429 VanDerWaalsContact CA-OD1 3.22Å; C360-N429 WeakPolarHBondContact CA-OD1 3.29Å; K361-N429 HydrophobicContact CB-CB 4.05Å; K361-N429 PolarHBondContact N-OD1 2.81Å; E365-N429 VanDerWaalsContact CD-OD1 3.3Å; E365-N429 PolarHBondContact OE1-ND2 3.43Å; E365-N429 PolarHBondContact OE1-OD1 3.04Å; E365-N429 PolarHBondContact OE2-OD1 3.49Å; N427-N429 VanDerWaalsContact C-N 3.26Å; N427-N429 PolarHBondContact O-N 3.5Å; N429-R440 PolarHBondContact O-NH1 3.3Å |
| 430 | V | 92.1 | Very high | 88.9 | Confident | 14 Ų | 14 | 33.7 Ų | 33.7 | 9% | 0.085 | 17% | 0.168 | C | C | . | . | trans | -57.4 | 125.5 | 173.7 | -178.7 | 0 | 0 | 0 | 0 | 109.8 | T455 L456 V457 V461 F465 L468 | V430-T455 HydrophobicContact CG2-CG2 4.06Å; V430-L456 WeakPolarHBondContact CG2-O 3.2Å; V430-V457 HydrophobicContact CG2-CG2 4.21Å; V430-V461 HydrophobicContact CB-CG2 4.43Å; V430-V461 HydrophobicContact CG2-CG2 3.8Å; V430-F465 HydrophobicContact CG1-CB 4.09Å; V430-F465 HydrophobicContact CG1-CD2 3.99Å; V430-F465 HydrophobicContact CG2-CB 4.42Å; V430-F465 HydrophobicContact CG2-CD2 4.25Å; V430-L468 HydrophobicContact CG1-CD2 3.8Å | ||
| 431 | P | 92.4 | Very high | 89.7 | Confident | 2 Ų | 2 | 31.5 Ų | 31.5 | 1% | 0.013 | 15% | 0.153 | C | C | . | . | trans | -67.7 | 147.4 | 174.4 | 26 | -30.8 | 0 | 0 | 0 | 111.1 | S433 T436 Y437 L468 | P431-S433 VanDerWaalsContact C-N 3.33Å; P431-S433 PolarHBondContact O-N 3.19Å; P431-T436 HydrophobicContact CB-CG2 3.84Å; P431-Y437 HydrophobicContact CG-CD2 3.57Å; P431-Y437 HydrophobicContact CG-CG 4.1Å; P431-L468 HydrophobicContact CG-CD2 3.88Å | ||
| 432 | L | 84.6 | Confident | 89.9 | Confident | 131 Ų | 131 | 30.4 Ų | 30.4 | 69% | 0.686 | 15% | 0.152 | S | C | * | . | S | Bend | trans | -84.6 | -4.1 | -174.9 | -61.1 | 176.6 | 0 | 0 | 0 | 114.1 | ||
| 433 | S | 85.7 | Confident | 89.8 | Confident | 50 Ų | 50 | 32.8 Ų | 32.8 | 35% | 0.35 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -149 | 149.6 | 179.9 | 67.3 | 0 | 0 | 0 | 0 | 112.1 | P431 K435 T436 Y437 | P431-S433 VanDerWaalsContact C-N 3.33Å; P431-S433 PolarHBondContact O-N 3.19Å; S433-K435 VanDerWaalsContact C-N 3.3Å; S433-K435 PolarHBondContact O-N 2.81Å; S433-T436 WeakPolarHBondContact O-CB 3.46Å; S433-T436 PolarHBondContact O-N 2.74Å; S433-T436 VanDerWaalsContact O-N 3.07Å; S433-T436 PolarHBondContact OG-N 2.67Å; S433-T436 PolarHBondContact OG-OG1 2.96Å; S433-Y437 PolarHBondContact O-N 2.89Å |
| 434 | E | 83.6 | Confident | 89.8 | Confident | 72 Ų | 72 | 31.8 Ų | 31.8 | 34% | 0.336 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -52.9 | -47.2 | 175.5 | -170.8 | -141.5 | 144.1 | 0 | 0 | 111.6 | T436 Y437 R438 A471 L472 | E434-T436 VanDerWaalsContact C-N 3.28Å; E434-T436 PolarHBondContact O-N 2.69Å; E434-Y437 WeakPolarHBondContact O-CB 3.28Å; E434-Y437 PolarHBondContact O-N 3.28Å; E434-Y437 VanDerWaalsContact O-N 3.14Å; E434-R438 WeakPolarHBondContact O-CB 3.3Å; E434-R438 PolarHBondContact O-N 3.31Å; E434-R438 IonicContact OE1-CZ 3.45Å; E434-R438 IonicContact OE1-NE 3.4Å; E434-R438 PolarHBondContact OE1-NE 2.89Å; E434-R438 IonicContact OE1-NH2 2.7Å; E434-R438 PolarHBondContact OE1-NH2 3.07Å; E434-A471 HydrophobicContact CB-CB 4.15Å; E434-A471 HydrophobicContact CG-CB 4.42Å; E434-L472 HydrophobicContact CB-CD2 4.21Å; E434-L472 HydrophobicContact CG-CD2 3.27Å; E434-L472 HydrophobicContact CG-CG 3.91Å |
| 435 | K | 84.9 | Confident | 89.1 | Confident | 140 Ų | 140 | 32 Ų | 32 | 61% | 0.609 | 16% | 0.158 | S | C | * | . | H | α-helix | trans | -54.7 | -44.2 | 176.5 | -177.4 | 175.3 | -178.1 | 173.3 | 0 | 112.1 | S433 H439 | S433-K435 VanDerWaalsContact C-N 3.3Å; S433-K435 PolarHBondContact O-N 2.81Å; K435-H439 PolarHBondContact O-CD2 2.81Å; K435-H439 VanDerWaalsContact O-CD2 3.3Å; K435-H439 VanDerWaalsContact O-CG 3.25Å; K435-H439 PolarHBondContact O-N 3.12Å |
| 436 | T | 90.1 | Very high | 88.1 | Confident | 15 Ų | 15 | 35.1 Ų | 35.1 | 9% | 0.092 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -68.4 | -45.1 | 178.9 | -55.2 | 0 | 0 | 0 | 0 | 110.5 | D411 P431 S433 E434 R438 H439 R440 | D411-T436 WeakPolarHBondContact OD1-CG2 3.33Å; P431-T436 HydrophobicContact CB-CG2 3.84Å; S433-T436 WeakPolarHBondContact O-CB 3.46Å; S433-T436 PolarHBondContact O-N 2.74Å; S433-T436 VanDerWaalsContact O-N 3.07Å; S433-T436 PolarHBondContact OG-N 2.67Å; S433-T436 PolarHBondContact OG-OG1 2.96Å; E434-T436 VanDerWaalsContact C-N 3.28Å; E434-T436 PolarHBondContact O-N 2.69Å; T436-R438 PolarHBondContact O-N 2.83Å; T436-H439 PolarHBondContact O-N 2.88Å; T436-R440 HydrophobicContact CG2-CG 4.43Å; T436-R440 WeakPolarHBondContact O-CG 3.42Å; T436-R440 PolarHBondContact O-N 2.89Å |
| 437 | Y | 90.9 | Very high | 86.9 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -55.3 | -50.9 | 175.3 | -175 | -89 | 0 | 0 | 0 | 111.6 | F307 H313 P431 S433 E434 H439 R440 V441 T455 L468 L472 I490 | F307-Y437 HydrophobicContact CE1-CD1 4.05Å; F307-Y437 AromaticContact CE1-CE1 3.93Å; F307-Y437 HydrophobicContact CE1-CE1 3.93Å; F307-Y437 HydrophobicContact CZ-CD1 4.24Å; F307-Y437 AromaticContact CZ-CE1 3.97Å; F307-Y437 HydrophobicContact CZ-CE1 3.97Å; H313-Y437 AromaticContact ND1-CE1 3.64Å; H313-Y437 AromaticContact ND1-CZ 3.8Å; H313-Y437 PolarHBondContact ND1-OH 2.88Å; H313-Y437 VanDerWaalsContact ND1-OH 3.1Å; P431-Y437 HydrophobicContact CG-CD2 3.57Å; P431-Y437 HydrophobicContact CG-CG 4.1Å; S433-Y437 PolarHBondContact O-N 2.89Å; E434-Y437 WeakPolarHBondContact O-CB 3.28Å; E434-Y437 PolarHBondContact O-N 3.28Å; E434-Y437 VanDerWaalsContact O-N 3.14Å; Y437-H439 VanDerWaalsContact C-N 3.33Å; Y437-H439 PolarHBondContact O-N 3.32Å; Y437-R440 PolarHBondContact O-N 3.04Å; Y437-R440 VanDerWaalsContact O-N 3.12Å; Y437-V441 HydrophobicContact CD1-CG1 4.03Å; Y437-V441 HydrophobicContact CD1-CG2 4.12Å; Y437-V441 HydrophobicContact CD2-CG1 4.47Å; Y437-V441 HydrophobicContact CE1-CG1 3.69Å; Y437-V441 HydrophobicContact CE1-CG2 4.03Å; Y437-V441 HydrophobicContact CE2-CG1 4.15Å; Y437-V441 HydrophobicContact CG-CG1 4.43Å; Y437-V441 WeakPolarHBondContact O-CG2 3.24Å; Y437-V441 PolarHBondContact O-N 2.75Å; Y437-T455 WeakPolarHBondContact CE2-OG1 3.25Å; Y437-L468 HydrophobicContact CD2-CD2 3.82Å; Y437-L468 HydrophobicContact CE2-CD2 4.46Å; Y437-L468 HydrophobicContact CG-CD1 4.48Å; Y437-L468 HydrophobicContact CG-CD2 4.4Å; Y437-L472 HydrophobicContact CD1-CD1 3.45Å; Y437-L472 VanDerWaalsContact CD1-CD1 3.45Å; Y437-L472 HydrophobicContact CD1-CD2 3.55Å; Y437-L472 HydrophobicContact CD1-CG 4.2Å; Y437-L472 HydrophobicContact CD2-CD1 4.11Å; Y437-L472 HydrophobicContact CE1-CD1 3.62Å; Y437-L472 HydrophobicContact CE1-CD2 4.2Å; Y437-L472 HydrophobicContact CE2-CD1 4.26Å; Y437-L472 HydrophobicContact CG-CD1 3.7Å; Y437-L472 HydrophobicContact CG-CD2 4.16Å; Y437-I490 HydrophobicContact CE2-CD1 4.17Å |
| 438 | R | 85.9 | Confident | 85.5 | Confident | 59 Ų | 59 | 43.5 Ų | 43.5 | 22% | 0.223 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -57.1 | -43.1 | 178.2 | -172.2 | 175.6 | -57.9 | -67.9 | 3.4 | 112.4 | T305 G306 E434 T436 G442 | T305-R438 PolarHBondContact O-NH1 3.33Å; T305-R438 PolarHBondContact O-NH2 3.45Å; G306-R438 PolarHBondContact O-NH1 3.04Å; E434-R438 WeakPolarHBondContact O-CB 3.3Å; E434-R438 PolarHBondContact O-N 3.31Å; E434-R438 IonicContact OE1-CZ 3.45Å; E434-R438 IonicContact OE1-NE 3.4Å; E434-R438 PolarHBondContact OE1-NE 2.89Å; E434-R438 IonicContact OE1-NH2 2.7Å; E434-R438 PolarHBondContact OE1-NH2 3.07Å; T436-R438 PolarHBondContact O-N 2.83Å; R438-G442 PolarHBondContact O-N 2.98Å |
| 439 | H | 85.4 | Confident | 84.3 | Confident | 81 Ų | 81 | 47.3 Ų | 47.3 | 38% | 0.375 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -65 | -38.9 | 176.8 | -73.3 | -171 | 0 | 0 | 0 | 113.2 | K435 T436 Y437 R443 | K435-H439 PolarHBondContact O-CD2 2.81Å; K435-H439 VanDerWaalsContact O-CD2 3.3Å; K435-H439 VanDerWaalsContact O-CG 3.25Å; K435-H439 PolarHBondContact O-N 3.12Å; T436-H439 PolarHBondContact O-N 2.88Å; Y437-H439 VanDerWaalsContact C-N 3.33Å; Y437-H439 PolarHBondContact O-N 3.32Å; H439-R443 PolarHBondContact O-NE 2.84Å; H439-R443 VanDerWaalsContact O-NE 3.09Å |
| 440 | R | 91.9 | Very high | 83.3 | Confident | 6 Ų | 6 | 48.5 Ų | 48.5 | 2% | 0.023 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -69.7 | -53.1 | 179.1 | -70.2 | -175.5 | -174.8 | -172.3 | -0.9 | 111.5 | F359 D411 N427 N429 T436 Y437 G442 R443 | F359-R440 HydrophobicContact CB-CG 4.42Å; F359-R440 HydrophobicContact CD1-CG 3.92Å; F359-R440 HydrophobicContact CD2-CB 3.71Å; F359-R440 HydrophobicContact CD2-CG 3.68Å; F359-R440 HydrophobicContact CE1-CG 4.03Å; F359-R440 HydrophobicContact CE2-CB 3.62Å; F359-R440 HydrophobicContact CE2-CG 3.8Å; F359-R440 HydrophobicContact CG-CB 4.29Å; F359-R440 HydrophobicContact CG-CG 3.74Å; F359-R440 HydrophobicContact CZ-CB 4.15Å; F359-R440 HydrophobicContact CZ-CG 3.96Å; D411-R440 IonicContact OD1-CZ 3.16Å; D411-R440 IonicContact OD1-NE 3.65Å; D411-R440 PolarHBondContact OD1-NE 3.09Å; D411-R440 IonicContact OD1-NH2 3.62Å; D411-R440 PolarHBondContact OD1-NH2 3.03Å; D411-R440 IonicContact OD2-CZ 3.92Å; D411-R440 IonicContact OD2-NE 2.67Å; D411-R440 IonicContact OD2-NH2 2.75Å; D411-R440 PolarHBondContact OD2-NH2 3.2Å; N427-R440 WeakPolarHBondContact OD1-CD 3.47Å; N427-R440 PolarHBondContact OD1-NH1 3.08Å; N429-R440 PolarHBondContact O-NH1 3.3Å; T436-R440 HydrophobicContact CG2-CG 4.43Å; T436-R440 WeakPolarHBondContact O-CG 3.42Å; T436-R440 PolarHBondContact O-N 2.89Å; Y437-R440 PolarHBondContact O-N 3.04Å; Y437-R440 VanDerWaalsContact O-N 3.12Å; R440-G442 VanDerWaalsContact C-N 3.27Å; R440-G442 PolarHBondContact O-N 3.33Å; R440-R443 WeakPolarHBondContact O-CB 3.3Å; R440-R443 VanDerWaalsContact O-CG 3.26Å; R440-R443 WeakPolarHBondContact O-CG 3.28Å; R440-R443 PolarHBondContact O-N 3.27Å; R440-R443 VanDerWaalsContact O-N 3.14Å |
| 441 | V | 88.3 | Confident | 82.8 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -69.4 | -27.3 | -179.6 | -53.6 | 0 | 0 | 0 | 0 | 112 | F307 L311 Y437 R443 T444 A453 | F307-V441 HydrophobicContact CD1-CG2 3.78Å; F307-V441 HydrophobicContact CE1-CG2 3.67Å; L311-V441 HydrophobicContact CD1-CB 4.44Å; L311-V441 HydrophobicContact CD2-CB 3.95Å; L311-V441 HydrophobicContact CD2-CG2 3.65Å; Y437-V441 HydrophobicContact CD1-CG1 4.03Å; Y437-V441 HydrophobicContact CD1-CG2 4.12Å; Y437-V441 HydrophobicContact CD2-CG1 4.47Å; Y437-V441 HydrophobicContact CE1-CG1 3.69Å; Y437-V441 HydrophobicContact CE1-CG2 4.03Å; Y437-V441 HydrophobicContact CE2-CG1 4.15Å; Y437-V441 HydrophobicContact CG-CG1 4.43Å; Y437-V441 WeakPolarHBondContact O-CG2 3.24Å; Y437-V441 PolarHBondContact O-N 2.75Å; V441-R443 PolarHBondContact O-N 3.18Å; V441-R443 VanDerWaalsContact O-N 3.11Å; V441-T444 VanDerWaalsContact O-CG2 3.3Å; V441-T444 WeakPolarHBondContact O-CG2 3.41Å; V441-T444 PolarHBondContact O-N 3.4Å; V441-A453 HydrophobicContact CB-CB 3.9Å; V441-A453 HydrophobicContact CG1-CB 3.67Å |
| 442 | G | 83.6 | Confident | 82.6 | Confident | 15 Ų | 15 | 47.9 Ų | 47.9 | 16% | 0.155 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | 6.4 | 172 | 0 | 0 | 0 | 0 | 0 | 115.3 | R438 R440 R446 | R438-G442 PolarHBondContact O-N 2.98Å; R440-G442 VanDerWaalsContact C-N 3.27Å; R440-G442 PolarHBondContact O-N 3.33Å; G442-R446 PolarHBondContact O-NE 3.41Å |
| 443 | R | 87.2 | Confident | 82.9 | Confident | 50 Ų | 50 | 41.6 Ų | 41.6 | 19% | 0.189 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -30.7 | 166.1 | -63.6 | -57.5 | 104.3 | 174.5 | 0.7 | 111.6 | M357 F359 V422 V425 H439 R440 V441 R446 | M357-R443 HydrophobicContact SD-CB 4.16Å; M357-R443 HydrophobicContact SD-CG 3.81Å; F359-R443 HydrophobicContact CE2-CG 4.16Å; F359-R443 HydrophobicContact CZ-CG 3.87Å; V422-R443 HydrophobicContact CG2-CB 3.84Å; V422-R443 WeakPolarHBondContact CG2-O 3.08Å; V425-R443 HydrophobicContact CG2-CB 3.99Å; H439-R443 PolarHBondContact O-NE 2.84Å; H439-R443 VanDerWaalsContact O-NE 3.09Å; R440-R443 WeakPolarHBondContact O-CB 3.3Å; R440-R443 VanDerWaalsContact O-CG 3.26Å; R440-R443 WeakPolarHBondContact O-CG 3.28Å; R440-R443 PolarHBondContact O-N 3.27Å; R440-R443 VanDerWaalsContact O-N 3.14Å; V441-R443 PolarHBondContact O-N 3.18Å; V441-R443 VanDerWaalsContact O-N 3.11Å; R443-R446 VanDerWaalsContact NH1-NH2 3.11Å |
| 444 | T | 85.8 | Confident | 83.4 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -97.5 | 176.8 | 173 | -167.4 | 0 | 0 | 0 | 0 | 111.2 | L311 V422 E423 V425 V441 R446 G451 | L311-T444 HydrophobicContact CD1-CG2 3.38Å; V422-T444 VanDerWaalsContact O-CA 3.24Å; V422-T444 WeakPolarHBondContact O-CA 3.43Å; V422-T444 WeakPolarHBondContact O-CB 3.47Å; V422-T444 PolarHBondContact O-OG1 2.85Å; E423-T444 PolarHBondContact O-OG1 3.02Å; V425-T444 HydrophobicContact CB-CG2 4.44Å; V425-T444 HydrophobicContact CG2-CG2 3.94Å; V441-T444 VanDerWaalsContact O-CG2 3.3Å; V441-T444 WeakPolarHBondContact O-CG2 3.41Å; V441-T444 PolarHBondContact O-N 3.4Å; T444-R446 PolarHBondContact O-N 3.29Å; T444-G451 WeakPolarHBondContact OG1-CA 3.26Å |
| 445 | A | 76.7 | Confident | 83.9 | Confident | 4 Ų | 4 | 35.8 Ų | 35.8 | 3% | 0.033 | 20% | 0.204 | C | C | . | . | S | Bend | trans | 53.7 | 46 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | P308 L311 H421 Q449 | P308-A445 HydrophobicContact CB-CB 3.92Å; P308-A445 WeakPolarHBondContact CB-O 3.32Å; L311-A445 HydrophobicContact CB-CB 3.79Å; L311-A445 HydrophobicContact CD1-CB 4.27Å; H421-A445 PolarHBondContact CE1-N 3.31Å; H421-A445 VanDerWaalsContact CE1-N 3.28Å; A445-Q449 CarbonylContact C-O 3.54Å; A445-Q449 WeakPolarHBondContact CA-O 3.36Å |
| 446 | R | 74 | Confident | 84.4 | Confident | 67 Ų | 67 | 29.3 Ų | 29.3 | 25% | 0.253 | 18% | 0.176 | S | C | . | . | trans | -95.8 | 157.3 | 178.9 | -64.7 | 179.7 | 164.4 | -160 | -12.8 | 111.3 | I419 H421 G442 R443 T444 G448 Q449 | I419-R446 PolarHBondContact O-NH1 3.38Å; H421-R446 PolarHBondContact CE1-N 3.17Å; H421-R446 VanDerWaalsContact CE1-N 3.31Å; H421-R446 PolarHBondContact ND1-N 3.36Å; H421-R446 VanDerWaalsContact ND1-N 3.17Å; G442-R446 PolarHBondContact O-NE 3.41Å; R443-R446 VanDerWaalsContact NH1-NH2 3.11Å; T444-R446 PolarHBondContact O-N 3.29Å; R446-G448 PolarHBondContact O-N 2.86Å; R446-G448 VanDerWaalsContact O-N 3.13Å; R446-Q449 WeakPolarHBondContact O-CB 3.45Å; R446-Q449 PolarHBondContact O-N 3.22Å | ||
| 447 | A | 71.8 | Confident | 84.4 | Confident | 104 Ų | 104 | 29 Ų | 29 | 86% | 0.86 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 34.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q449 | A447-Q449 VanDerWaalsContact C-N 3.25Å; A447-Q449 PolarHBondContact O-N 2.87Å |
| 448 | G | 67 | Low | 84.2 | Confident | 73 Ų | 73 | 29.2 Ų | 29.2 | 75% | 0.753 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.7 | -0.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | R446 | R446-G448 PolarHBondContact O-N 2.86Å; R446-G448 VanDerWaalsContact O-N 3.13Å |
| 449 | Q | 72.6 | Confident | 84 | Confident | 89 Ų | 89 | 34.4 Ų | 34.4 | 42% | 0.416 | 20% | 0.195 | S | C | . | . | trans | -76.7 | 151.7 | 176 | -58.9 | -178.8 | 10.7 | 0 | 0 | 111 | H421 A445 R446 A447 | H421-Q449 PolarHBondContact CD2-OE1 3.4Å; H421-Q449 PolarHBondContact NE2-OE1 3.06Å; A445-Q449 CarbonylContact C-O 3.54Å; A445-Q449 WeakPolarHBondContact CA-O 3.36Å; R446-Q449 WeakPolarHBondContact O-CB 3.45Å; R446-Q449 PolarHBondContact O-N 3.22Å; A447-Q449 VanDerWaalsContact C-N 3.25Å; A447-Q449 PolarHBondContact O-N 2.87Å | ||
| 450 | T | 74.4 | Confident | 83.8 | Confident | 47 Ų | 47 | 35.7 Ų | 35.7 | 29% | 0.288 | 21% | 0.205 | S | C | . | . | trans | -74.7 | 149.1 | 171.5 | 55.8 | 0 | 0 | 0 | 0 | 110.8 | G310 | G310-T450 WeakPolarHBondContact O-CA 3.26Š| ||
| 451 | G | 81.9 | Confident | 83.4 | Confident | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 149.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | G310 L311 S312 T444 | G310-G451 PolarHBondContact O-N 2.83Å; L311-G451 WeakPolarHBondContact CA-O 3.36Å; S312-G451 PolarHBondContact N-O 2.96Å; T444-G451 WeakPolarHBondContact OG1-CA 3.26Å |
| 452 | V | 88.3 | Confident | 82.8 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.006 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 134.2 | -177.4 | -172 | 0 | 0 | 0 | 0 | 111.4 | S312 Y314 L340 I345 T346 E423 F424 V425 W493 | S312-V452 CarbonylContact O-C 3.57Å; S312-V452 WeakPolarHBondContact O-CA 3.44Å; S312-V452 WeakPolarHBondContact O-CG1 3.4Å; Y314-V452 HydrophobicContact CD2-CG1 3.94Å; Y314-V452 HydrophobicContact CE2-CG1 3.92Å; L340-V452 HydrophobicContact CD1-CG2 4.26Å; I345-V452 HydrophobicContact CG2-CG1 4.39Å; I345-V452 HydrophobicContact CG2-CG2 3.64Å; T346-V452 HydrophobicContact CG2-CG2 3.52Å; E423-V452 PolarHBondContact O-N 3.38Å; F424-V452 CarbonylContact C-O 3.4Å; F424-V452 WeakPolarHBondContact CA-O 3.38Å; F424-V452 HydrophobicContact CD2-CB 3.59Å; F424-V452 HydrophobicContact CD2-CG1 3.92Å; F424-V452 HydrophobicContact CE2-CB 3.61Å; F424-V452 HydrophobicContact CE2-CG1 3.37Å; F424-V452 HydrophobicContact CZ-CG1 4.27Å; V425-V452 PolarHBondContact N-O 2.87Å; V452-W493 HydrophobicContact CG1-CZ3 4.33Å |
| 453 | A | 91.8 | Very high | 82.3 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 132.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | L311 S312 H313 Y314 V425 V441 | L311-A453 HydrophobicContact CD1-CB 4.11Å; S312-A453 PolarHBondContact O-N 3.45Å; H313-A453 CarbonylContact C-O 3.51Å; H313-A453 VanDerWaalsContact CA-O 3.26Å; H313-A453 WeakPolarHBondContact CA-O 3.21Å; H313-A453 HydrophobicContact CB-CB 4Å; Y314-A453 PolarHBondContact N-O 3.17Å; V425-A453 HydrophobicContact CB-CB 4.21Å; V425-A453 CarbonylContact O-C 3.6Å; V425-A453 VanDerWaalsContact O-CA 3.27Å; V425-A453 WeakPolarHBondContact O-CA 3.46Å; V441-A453 HydrophobicContact CB-CB 3.9Å; V441-A453 HydrophobicContact CG1-CB 3.67Å |
| 454 | L | 94.4 | Very high | 81.9 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 129.8 | 177.9 | 177.8 | 60.5 | 0 | 0 | 0 | 110.8 | Y314 L316 V330 F424 V425 I426 N427 L456 W493 | Y314-L454 CarbonylContact O-C 3.52Å; L316-L454 HydrophobicContact CB-CD1 3.74Å; L316-L454 HydrophobicContact CD2-CD2 4.36Å; V330-L454 HydrophobicContact CB-CD2 4.46Å; V330-L454 HydrophobicContact CG1-CD2 3.83Å; V330-L454 HydrophobicContact CG2-CD2 3.91Å; F424-L454 HydrophobicContact CE1-CB 4.12Å; F424-L454 HydrophobicContact CZ-CB 3.94Å; F424-L454 HydrophobicContact CZ-CD2 4.4Å; V425-L454 PolarHBondContact O-N 2.8Å; I426-L454 CarbonylContact C-O 3.49Å; I426-L454 WeakPolarHBondContact CA-O 3.47Å; N427-L454 PolarHBondContact N-O 3.5Å; L454-L456 HydrophobicContact CD2-CD2 4.01Å; L454-L456 HydrophobicContact CG-CD2 4.15Å; L454-W493 HydrophobicContact CB-CZ3 4.44Å; L454-W493 HydrophobicContact CD1-CB 4.26Å; L454-W493 HydrophobicContact CD1-CD2 3.99Å; L454-W493 HydrophobicContact CD1-CE3 3.61Å; L454-W493 HydrophobicContact CD1-CG 4.3Å; L454-W493 HydrophobicContact CD1-CZ3 4.23Å; L454-W493 HydrophobicContact CD2-CD2 4.46Å; L454-W493 HydrophobicContact CD2-CE3 4.34Å; L454-W493 HydrophobicContact CD2-CZ3 4.39Å; L454-W493 HydrophobicContact CG-CE3 4.4Å |
| 455 | T | 95.5 | Very high | 81.7 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 117.7 | 173.6 | -56.7 | 0 | 0 | 0 | 0 | 111.4 | Y314 C315 L316 N427 V430 Y437 V457 F465 | Y314-T455 PolarHBondContact O-N 2.86Å; C315-T455 CarbonylContact C-O 3.57Å; C315-T455 WeakPolarHBondContact CA-O 3.28Å; L316-T455 PolarHBondContact N-O 3.29Å; N427-T455 HydrophobicContact CB-CG2 3.94Å; N427-T455 PolarHBondContact ND2-OG1 2.86Å; V430-T455 HydrophobicContact CG2-CG2 4.06Å; Y437-T455 WeakPolarHBondContact CE2-OG1 3.25Å; T455-V457 HydrophobicContact CG2-CG2 4.25Å; T455-F465 HydrophobicContact CG2-CD2 4.4Å; T455-F465 HydrophobicContact CG2-CE2 4.21Å |
| 456 | L | 95.3 | Very high | 81.6 | Confident | 3 Ų | 3 | 45.7 Ų | 45.7 | 2% | 0.016 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 123.8 | 175 | -55.6 | -174 | 0 | 0 | 0 | 109.2 | L316 I318 R323 I326 I426 N427 Y428 V430 L454 | L316-L456 HydrophobicContact CB-CD2 4.23Å; L316-L456 HydrophobicContact CD2-CD2 4.07Å; L316-L456 HydrophobicContact CG-CD2 4.45Å; I318-L456 HydrophobicContact CD1-CB 4.1Å; I318-L456 HydrophobicContact CD1-CD1 4.19Å; I318-L456 HydrophobicContact CD1-CD2 4.28Å; I318-L456 HydrophobicContact CD1-CG 4.42Å; R323-L456 HydrophobicContact CG-CD1 4.02Å; I326-L456 HydrophobicContact CG2-CD2 4.41Å; I426-L456 HydrophobicContact CG2-CD1 4.43Å; I426-L456 HydrophobicContact CG2-CG 4.3Å; N427-L456 PolarHBondContact O-N 3.45Å; N427-L456 VanDerWaalsContact O-N 3.07Å; Y428-L456 HydrophobicContact CD2-CD1 4.06Å; V430-L456 WeakPolarHBondContact CG2-O 3.2Å; L454-L456 HydrophobicContact CD2-CD2 4.01Å; L454-L456 HydrophobicContact CG-CD2 4.15Å |
| 457 | V | 89.2 | Confident | 81.7 | Confident | 9 Ų | 9 | 47.4 Ų | 47.4 | 6% | 0.055 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 125.9 | -177.4 | -174.1 | 0 | 0 | 0 | 0 | 108.8 | C315 L316 P317 I318 V430 T455 F465 | C315-V457 HydrophobicContact CB-CG2 4.22Å; L316-V457 PolarHBondContact O-N 3Å; P317-V457 CarbonylContact C-O 3.55Å; P317-V457 VanDerWaalsContact CA-O 3.28Å; P317-V457 WeakPolarHBondContact CA-O 3.3Å; I318-V457 PolarHBondContact N-O 2.79Å; V430-V457 HydrophobicContact CG2-CG2 4.21Å; T455-V457 HydrophobicContact CG2-CG2 4.25Å; V457-F465 HydrophobicContact CB-CG 4.46Å; V457-F465 HydrophobicContact CG1-CB 3.92Å; V457-F465 HydrophobicContact CG1-CD1 4.02Å; V457-F465 HydrophobicContact CG1-CD2 4.39Å; V457-F465 HydrophobicContact CG1-CG 3.82Å; V457-F465 HydrophobicContact CG2-CD1 4.07Å; V457-F465 HydrophobicContact CG2-CD2 3.47Å; V457-F465 VanDerWaalsContact CG2-CD2 3.47Å; V457-F465 HydrophobicContact CG2-CE1 4.18Å; V457-F465 HydrophobicContact CG2-CE2 3.58Å; V457-F465 HydrophobicContact CG2-CG 3.73Å; V457-F465 HydrophobicContact CG2-CZ 3.95Å |
| 458 | T | 87.3 | Confident | 82 | Confident | 4 Ų | 4 | 42.8 Ų | 42.8 | 3% | 0.025 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 160 | 175.3 | 53.5 | 0 | 0 | 0 | 0 | 110.9 | I318 L320 R323 D460 V461 A462 | I318-T458 HydrophobicContact CG1-CG2 3.82Å; I318-T458 WeakPolarHBondContact O-CA 3.41Å; L320-T458 HydrophobicContact CB-CG2 4.44Å; R323-T458 PolarHBondContact NH2-OG1 2.9Å; T458-D460 WeakPolarHBondContact CB-OD1 3.26Å; T458-D460 PolarHBondContact O-N 3.24Å; T458-D460 PolarHBondContact OG1-OD1 2.75Å; T458-V461 VanDerWaalsContact O-CG2 3.28Å; T458-V461 WeakPolarHBondContact O-CG2 3.43Å; T458-V461 PolarHBondContact O-N 2.96Å; T458-A462 PolarHBondContact O-N 3.48Å |
| 459 | R | 81.5 | Confident | 82.5 | Confident | 169 Ų | 169 | 39.6 Ų | 39.6 | 64% | 0.638 | 20% | 0.2 | S | C | * | . | G | 310 helix | trans | -56 | -36.4 | -174.1 | -176.7 | 178 | 171.2 | -167.5 | -7.5 | 113.5 | N147 V461 A462 | N147-R459 PolarHBondContact ND2-NH2 3.33Å; N147-R459 PolarHBondContact OD1-NH2 3.3Å; R459-V461 PolarHBondContact O-N 2.87Å; R459-A462 WeakPolarHBondContact O-CB 3.5Å; R459-A462 PolarHBondContact O-N 3.33Å |
| 460 | D | 81.9 | Confident | 82.3 | Confident | 108 Ų | 108 | 36.3 Ų | 36.3 | 58% | 0.578 | 19% | 0.188 | S | C | * | . | G | 310 helix | trans | -66.9 | -20.9 | 179.2 | 57.6 | -54.4 | 0 | 0 | 0 | 114.2 | T458 | T458-D460 WeakPolarHBondContact CB-OD1 3.26Å; T458-D460 PolarHBondContact O-N 3.24Å; T458-D460 PolarHBondContact OG1-OD1 2.75Å |
| 461 | V | 83.4 | Confident | 82.1 | Confident | 40 Ų | 40 | 35.8 Ų | 35.8 | 24% | 0.242 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -116.2 | 10.4 | 179.7 | -61.7 | 0 | 0 | 0 | 0 | 113 | V430 T458 R459 Q463 S464 F465 | V430-V461 HydrophobicContact CB-CG2 4.43Å; V430-V461 HydrophobicContact CG2-CG2 3.8Å; T458-V461 VanDerWaalsContact O-CG2 3.28Å; T458-V461 WeakPolarHBondContact O-CG2 3.43Å; T458-V461 PolarHBondContact O-N 2.96Å; R459-V461 PolarHBondContact O-N 2.87Å; V461-Q463 VanDerWaalsContact C-N 3.32Å; V461-Q463 PolarHBondContact O-N 3.49Å; V461-S464 PolarHBondContact O-N 2.97Å; V461-S464 PolarHBondContact O-OG 3.41Å; V461-F465 WeakPolarHBondContact O-CB 3.44Å; V461-F465 PolarHBondContact O-N 3.37Å |
| 462 | A | 75.3 | Confident | 81.5 | Confident | 34 Ų | 34 | 36.2 Ų | 36.2 | 28% | 0.281 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -58.1 | -42.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | T458 R459 F465 L466 | T458-A462 PolarHBondContact O-N 3.48Å; R459-A462 WeakPolarHBondContact O-CB 3.5Å; R459-A462 PolarHBondContact O-N 3.33Å; A462-F465 WeakPolarHBondContact O-CB 3.46Å; A462-F465 PolarHBondContact O-N 3.03Å; A462-L466 WeakPolarHBondContact O-CG 3.41Å; A462-L466 PolarHBondContact O-N 2.93Å |
| 463 | Q | 74.1 | Confident | 80.3 | Confident | 90 Ų | 90 | 38 Ų | 38 | 42% | 0.421 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -61.2 | -53.3 | 178.9 | -177.3 | 59.8 | 26.7 | 0 | 0 | 112 | V461 F465 L466 E467 | V461-Q463 VanDerWaalsContact C-N 3.32Å; V461-Q463 PolarHBondContact O-N 3.49Å; Q463-F465 PolarHBondContact O-N 2.96Å; Q463-L466 PolarHBondContact O-N 2.96Å; Q463-E467 PolarHBondContact NE2-OE1 3.27Å; Q463-E467 PolarHBondContact O-N 3.27Å |
| 464 | S | 76.8 | Confident | 78.1 | Confident | 35 Ų | 35 | 39.8 Ų | 39.8 | 25% | 0.245 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.8 | -29.8 | 177.1 | 51.1 | 0 | 0 | 0 | 0 | 113.1 | V461 L468 | V461-S464 PolarHBondContact O-N 2.97Å; V461-S464 PolarHBondContact O-OG 3.41Å; S464-L468 VanDerWaalsContact O-CB 3.29Å; S464-L468 WeakPolarHBondContact O-CB 3.44Å; S464-L468 PolarHBondContact O-N 3.25Å |
| 465 | F | 83.4 | Confident | 75.8 | Confident | 6 Ų | 6 | 44.8 Ų | 44.8 | 3% | 0.026 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -71.2 | -41.1 | 174.3 | 175.7 | -96.2 | 0 | 0 | 0 | 111.8 | C315 V430 T455 V457 V461 A462 Q463 E467 L468 E469 I490 | C315-F465 HydrophobicContact CB-CE1 4.38Å; C315-F465 HydrophobicContact CB-CE2 3.98Å; C315-F465 HydrophobicContact CB-CZ 3.49Å; C315-F465 VanDerWaalsContact CB-CZ 3.49Å; V430-F465 HydrophobicContact CG1-CB 4.09Å; V430-F465 HydrophobicContact CG1-CD2 3.99Å; V430-F465 HydrophobicContact CG2-CB 4.42Å; V430-F465 HydrophobicContact CG2-CD2 4.25Å; T455-F465 HydrophobicContact CG2-CD2 4.4Å; T455-F465 HydrophobicContact CG2-CE2 4.21Å; V457-F465 HydrophobicContact CB-CG 4.46Å; V457-F465 HydrophobicContact CG1-CB 3.92Å; V457-F465 HydrophobicContact CG1-CD1 4.02Å; V457-F465 HydrophobicContact CG1-CD2 4.39Å; V457-F465 HydrophobicContact CG1-CG 3.82Å; V457-F465 HydrophobicContact CG2-CD1 4.07Å; V457-F465 HydrophobicContact CG2-CD2 3.47Å; V457-F465 VanDerWaalsContact CG2-CD2 3.47Å; V457-F465 HydrophobicContact CG2-CE1 4.18Å; V457-F465 HydrophobicContact CG2-CE2 3.58Å; V457-F465 HydrophobicContact CG2-CG 3.73Å; V457-F465 HydrophobicContact CG2-CZ 3.95Å; V461-F465 WeakPolarHBondContact O-CB 3.44Å; V461-F465 PolarHBondContact O-N 3.37Å; A462-F465 WeakPolarHBondContact O-CB 3.46Å; A462-F465 PolarHBondContact O-N 3.03Å; Q463-F465 PolarHBondContact O-N 2.96Å; F465-E467 VanDerWaalsContact C-N 3.34Å; F465-L468 WeakPolarHBondContact O-CB 3.35Å; F465-L468 PolarHBondContact O-N 2.97Å; F465-E469 HydrophobicContact CE1-CB 4.39Å; F465-E469 VanDerWaalsContact O-CB 3.27Å; F465-E469 WeakPolarHBondContact O-CB 3.42Å; F465-E469 PolarHBondContact O-N 2.93Å; F465-I490 HydrophobicContact CE2-CD1 3.96Å; F465-I490 HydrophobicContact CZ-CD1 4.01Å |
| 466 | L | 74.1 | Confident | 73.4 | Confident | 79 Ų | 79 | 45.6 Ų | 45.6 | 41% | 0.414 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64 | -40.4 | 176.4 | -69.6 | 172.4 | 0 | 0 | 0 | 111.6 | A462 Q463 E469 A470 | A462-L466 WeakPolarHBondContact O-CG 3.41Å; A462-L466 PolarHBondContact O-N 2.93Å; Q463-L466 PolarHBondContact O-N 2.96Å; L466-E469 PolarHBondContact O-N 3.37Å; L466-A470 WeakPolarHBondContact O-CB 3.27Å; L466-A470 PolarHBondContact O-N 3.23Å |
| 467 | E | 74.9 | Confident | 70.9 | Confident | 104 Ų | 104 | 47 Ų | 47 | 49% | 0.486 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.3 | -44 | 173.3 | -71 | 166.1 | -165.3 | 0 | 0 | 111.8 | Q463 F465 A471 | Q463-E467 PolarHBondContact NE2-OE1 3.27Å; Q463-E467 PolarHBondContact O-N 3.27Å; F465-E467 VanDerWaalsContact C-N 3.34Å; E467-A471 WeakPolarHBondContact O-CB 3.19Å; E467-A471 PolarHBondContact O-N 3.42Å |
| 468 | L | 79.8 | Confident | 68.8 | Low | 7 Ų | 7 | 51.8 Ų | 51.8 | 4% | 0.037 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.2 | -46.3 | 174.3 | 173.5 | 69.7 | 0 | 0 | 0 | 111.7 | V430 P431 Y437 S464 F465 A471 L472 | V430-L468 HydrophobicContact CG1-CD2 3.8Å; P431-L468 HydrophobicContact CG-CD2 3.88Å; Y437-L468 HydrophobicContact CD2-CD2 3.82Å; Y437-L468 HydrophobicContact CE2-CD2 4.46Å; Y437-L468 HydrophobicContact CG-CD1 4.48Å; Y437-L468 HydrophobicContact CG-CD2 4.4Å; S464-L468 VanDerWaalsContact O-CB 3.29Å; S464-L468 WeakPolarHBondContact O-CB 3.44Å; S464-L468 PolarHBondContact O-N 3.25Å; F465-L468 WeakPolarHBondContact O-CB 3.35Å; F465-L468 PolarHBondContact O-N 2.97Å; L468-A471 WeakPolarHBondContact O-CB 3.32Å; L468-A471 PolarHBondContact O-N 3.43Å; L468-L472 HydrophobicContact CD1-CD1 3.88Å; L468-L472 HydrophobicContact CD1-CG 4.23Å; L468-L472 HydrophobicContact CD2-CD1 4.33Å; L468-L472 HydrophobicContact CG-CD1 3.71Å; L468-L472 HydrophobicContact CG-CG 4.44Å; L468-L472 WeakPolarHBondContact O-CD1 3.44Å; L468-L472 VanDerWaalsContact O-CG 3.22Å; L468-L472 WeakPolarHBondContact O-CG 3.14Å; L468-L472 PolarHBondContact O-N 3.34Å; L468-L472 VanDerWaalsContact O-N 3.12Å |
| 469 | E | 77.2 | Confident | 66.5 | Low | 6 Ų | 6 | 54.8 Ų | 54.8 | 3% | 0.028 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.4 | -46.5 | -179.9 | -175.1 | 177.6 | -128.5 | 0 | 0 | 110.5 | K127 F465 L466 A471 L472 L473 G489 I490 | K127-E469 WeakPolarHBondContact CE-OE2 3.37Å; K127-E469 IonicContact NZ-OE1 3.55Å; K127-E469 IonicContact NZ-OE2 2.76Å; K127-E469 PolarHBondContact NZ-OE2 3.46Å; F465-E469 HydrophobicContact CE1-CB 4.39Å; F465-E469 VanDerWaalsContact O-CB 3.27Å; F465-E469 WeakPolarHBondContact O-CB 3.42Å; F465-E469 PolarHBondContact O-N 2.93Å; L466-E469 PolarHBondContact O-N 3.37Å; E469-A471 VanDerWaalsContact C-N 3.27Å; E469-A471 PolarHBondContact O-N 3.01Å; E469-L472 PolarHBondContact O-N 3.03Å; E469-L473 HydrophobicContact CG-CD1 3.41Å; E469-L473 VanDerWaalsContact CG-CD1 3.41Å; E469-L473 WeakPolarHBondContact O-CD1 3.3Å; E469-L473 PolarHBondContact O-N 2.92Å; E469-G489 WeakPolarHBondContact OE1-CA 3.48Å; E469-I490 HydrophobicContact CG-CD1 4.48Å; E469-I490 HydrophobicContact CG-CG1 4.3Å; E469-I490 PolarHBondContact OE1-N 3.14Å |
| 470 | A | 67.8 | Low | 64.4 | Low | 19 Ų | 19 | 51.6 Ų | 51.6 | 16% | 0.157 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -54.1 | -45 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q68 L466 L472 | Q68-A470 HydrophobicContact CB-CB 4.21Å; Q68-A470 HydrophobicContact CG-CB 4.24Å; Q68-A470 WeakPolarHBondContact CG-O 3.27Å; Q68-A470 PolarHBondContact NE2-O 3.46Å; L466-A470 WeakPolarHBondContact O-CB 3.27Å; L466-A470 PolarHBondContact O-N 3.23Å; A470-L472 VanDerWaalsContact C-N 3.3Å; A470-L472 PolarHBondContact O-N 2.93Å |
| 471 | A | 70.8 | Confident | 62.2 | Low | 36 Ų | 36 | 50.1 Ų | 50.1 | 30% | 0.298 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65.1 | -23.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | E434 E467 L468 E469 | E434-A471 HydrophobicContact CB-CB 4.15Å; E434-A471 HydrophobicContact CG-CB 4.42Å; E467-A471 WeakPolarHBondContact O-CB 3.19Å; E467-A471 PolarHBondContact O-N 3.42Å; L468-A471 WeakPolarHBondContact O-CB 3.32Å; L468-A471 PolarHBondContact O-N 3.43Å; E469-A471 VanDerWaalsContact C-N 3.27Å; E469-A471 PolarHBondContact O-N 3.01Å |
| 472 | L | 69.8 | Low | 59.8 | Low | 11 Ų | 11 | 56.2 Ų | 56.2 | 6% | 0.058 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -94.6 | -23.2 | -172.8 | -72.2 | 165.4 | 0 | 0 | 0 | 114.8 | F307 E434 Y437 L468 E469 A470 I490 | F307-L472 HydrophobicContact CE1-CD2 4.44Å; F307-L472 HydrophobicContact CZ-CD2 3.82Å; E434-L472 HydrophobicContact CB-CD2 4.21Å; E434-L472 HydrophobicContact CG-CD2 3.27Å; E434-L472 HydrophobicContact CG-CG 3.91Å; Y437-L472 HydrophobicContact CD1-CD1 3.45Å; Y437-L472 VanDerWaalsContact CD1-CD1 3.45Å; Y437-L472 HydrophobicContact CD1-CD2 3.55Å; Y437-L472 HydrophobicContact CD1-CG 4.2Å; Y437-L472 HydrophobicContact CD2-CD1 4.11Å; Y437-L472 HydrophobicContact CE1-CD1 3.62Å; Y437-L472 HydrophobicContact CE1-CD2 4.2Å; Y437-L472 HydrophobicContact CE2-CD1 4.26Å; Y437-L472 HydrophobicContact CG-CD1 3.7Å; Y437-L472 HydrophobicContact CG-CD2 4.16Å; L468-L472 HydrophobicContact CD1-CD1 3.88Å; L468-L472 HydrophobicContact CD1-CG 4.23Å; L468-L472 HydrophobicContact CD2-CD1 4.33Å; L468-L472 HydrophobicContact CG-CD1 3.71Å; L468-L472 HydrophobicContact CG-CG 4.44Å; L468-L472 WeakPolarHBondContact O-CD1 3.44Å; L468-L472 VanDerWaalsContact O-CG 3.22Å; L468-L472 WeakPolarHBondContact O-CG 3.14Å; L468-L472 PolarHBondContact O-N 3.34Å; L468-L472 VanDerWaalsContact O-N 3.12Å; E469-L472 PolarHBondContact O-N 3.03Å; A470-L472 VanDerWaalsContact C-N 3.3Å; A470-L472 PolarHBondContact O-N 2.93Å; L472-I490 HydrophobicContact CD1-CD1 3.92Å |
| 473 | L | 62.3 | Low | 58 | Low | 38 Ų | 38 | 60.7 Ų | 60.7 | 20% | 0.199 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -100.7 | 153.9 | -169.9 | -77.7 | 134.6 | 0 | 0 | 0 | 113.2 | E469 P488 G489 I490 | E469-L473 HydrophobicContact CG-CD1 3.41Å; E469-L473 VanDerWaalsContact CG-CD1 3.41Å; E469-L473 WeakPolarHBondContact O-CD1 3.3Å; E469-L473 PolarHBondContact O-N 2.92Å; L473-P488 VanDerWaalsContact CD1-O 3.31Å; L473-P488 WeakPolarHBondContact CD1-O 3.38Å; L473-G489 VanDerWaalsContact CD1-C 3.46Å; L473-I490 HydrophobicContact CD1-CG1 4.48Å |
| 474 | P | 46.2 | Very low | 56.3 | Low | 38 Ų | 38 | 60.5 Ų | 60.5 | 25% | 0.247 | 37% | 0.366 | C | S | . | . | trans | -62 | 154.6 | 178.2 | -17.5 | 30.1 | 0 | 0 | 0 | 112.5 | L303 T305 L476 | L303-P474 HydrophobicContact CD1-CB 4.5Å; L303-P474 HydrophobicContact CD2-CB 4.24Å; T305-P474 HydrophobicContact CG2-CG 4.45Å; P474-L476 PolarHBondContact O-N 3.43Å | ||
| 475 | Y | 46.3 | Very low | 54.4 | Low | 105 Ų | 105 | 66.1 Ų | 66.1 | 41% | 0.412 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -52.5 | -29.8 | -165.4 | -98.1 | -122.5 | 0 | 0 | 0 | 115.1 | G67 | G67-Y475 CarbonylContact C-O 3.52Å; G67-Y475 VanDerWaalsContact CA-CE1 3.41Å; G67-Y475 VanDerWaalsContact CA-CG 3.44Å; G67-Y475 VanDerWaalsContact CA-O 3.28Å; G67-Y475 WeakPolarHBondContact CA-O 3.34Å; G67-Y475 CarbonylContact O-C 3.59Å; G67-Y475 WeakPolarHBondContact O-CA 3.26Å |
| 476 | L | 43.4 | Very low | 52.5 | Low | 16 Ų | 16 | 70.3 Ų | 70.3 | 8% | 0.084 | 42% | 0.416 | C | S | . | . | S | Bend | trans | -149.4 | 147.2 | 178 | -76.5 | 152.8 | 0 | 0 | 0 | 106.9 | I64 F103 L105 P474 L478 | I64-L476 HydrophobicContact CG1-CD1 4.34Å; F103-L476 HydrophobicContact CB-CB 3.95Å; F103-L476 HydrophobicContact CB-CD1 3.7Å; F103-L476 HydrophobicContact CB-CD2 4.06Å; F103-L476 HydrophobicContact CB-CG 4.07Å; F103-L476 HydrophobicContact CD1-CD1 4.06Å; F103-L476 HydrophobicContact CG-CD1 3.92Å; L105-L476 HydrophobicContact CD2-CD2 4.1Å; P474-L476 PolarHBondContact O-N 3.43Å; L476-L478 PolarHBondContact O-N 2.87Å |
| 477 | P | 44.4 | Very low | 51.2 | Low | 34 Ų | 34 | 69.9 Ų | 69.9 | 22% | 0.221 | 42% | 0.419 | C | S | . | . | trans | -58.2 | 110.9 | 171.7 | 19.2 | -25.1 | 0 | 0 | 0 | 109 | S479 P488 | P477-S479 PolarHBondContact O-N 3.04Å; P477-P488 HydrophobicContact CB-CB 3.84Å; P477-P488 HydrophobicContact CB-CG 4.02Å; P477-P488 HydrophobicContact CG-CB 4.21Å; P477-P488 HydrophobicContact CG-CG 3.91Å | ||
| 478 | L | 44.2 | Very low | 50 | Low | 109 Ų | 109 | 66.6 Ų | 66.6 | 57% | 0.571 | 41% | 0.407 | S | S | * | . | trans | -69.8 | 111.5 | 163.2 | -69.2 | 167.2 | 0 | 0 | 0 | 106.3 | L476 T480 | L476-L478 PolarHBondContact O-N 2.87Å; L478-T480 PolarHBondContact O-N 2.79Å | ||
| 479 | S | 39.5 | Very low | 49.1 | Very low | 67 Ų | 67 | 66.7 Ų | 66.7 | 47% | 0.469 | 41% | 0.409 | S | S | . | . | trans | -56.3 | 108.9 | 177 | 177.5 | 0 | 0 | 0 | 0 | 109.7 | E102 P477 | E102-S479 VanDerWaalsContact OE1-CB 3.32Å; E102-S479 WeakPolarHBondContact OE1-CB 3.44Å; E102-S479 PolarHBondContact OE1-OG 2.82Å; P477-S479 PolarHBondContact O-N 3.04Å | ||
| 480 | T | 37.6 | Very low | 49 | Very low | 101 Ų | 101 | 66.6 Ų | 66.6 | 62% | 0.62 | 41% | 0.409 | S | S | * | . | trans | -101.1 | 112.7 | 156.1 | 44.8 | 0 | 0 | 0 | 0 | 106.9 | L478 N486 | L478-T480 PolarHBondContact O-N 2.79Å; T480-N486 PolarHBondContact O-ND2 2.97Å; T480-N486 PolarHBondContact OG1-ND2 2.91Å | ||
| 481 | A | 34.3 | Very low | 49.1 | Very low | 78 Ų | 78 | 68.4 Ų | 68.4 | 65% | 0.645 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 17.5 | 111.3 | 164.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | N483 | A481-N483 VanDerWaalsContact C-N 3.34Å; A481-N483 PolarHBondContact O-N 2.82Å |
| 482 | N | 34.2 | Very low | 49.5 | Very low | 167 Ų | 167 | 73.2 Ų | 73.2 | 89% | 0.893 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 10.1 | 136.2 | -80.7 | -1.8 | 0 | 0 | 0 | 122.8 | ||
| 483 | N | 37.2 | Very low | 50.2 | Low | 129 Ų | 129 | 73.7 Ų | 73.7 | 69% | 0.69 | 43% | 0.431 | S | S | * | . | trans | -109.8 | 117.5 | 169.5 | -74.8 | -16.9 | 0 | 0 | 0 | 110.5 | A481 N485 N486 | A481-N483 VanDerWaalsContact C-N 3.34Å; A481-N483 PolarHBondContact O-N 2.82Å; N483-N485 PolarHBondContact O-N 2.83Å; N483-N486 PolarHBondContact O-N 2.92Å | ||
| 484 | G | 38 | Very low | 50.8 | Low | 86 Ų | 86 | 74.8 Ų | 74.8 | 89% | 0.887 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | 29.1 | -169.9 | 0 | 0 | 0 | 0 | 0 | 118 | ||
| 485 | N | 38.2 | Very low | 52.4 | Low | 153 Ų | 153 | 73.4 Ų | 73.4 | 82% | 0.818 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.1 | 9.2 | 177 | -78.8 | -19.4 | 0 | 0 | 0 | 114 | N483 S487 | N483-N485 PolarHBondContact O-N 2.83Å; N485-S487 PolarHBondContact O-N 3.09Å |
| 486 | N | 42.8 | Very low | 54 | Low | 94 Ų | 94 | 72.9 Ų | 72.9 | 50% | 0.503 | 44% | 0.44 | S | S | . | . | trans | -79.7 | 53.5 | -177.2 | -81.1 | -3.5 | 0 | 0 | 0 | 114.2 | T480 N483 | T480-N486 PolarHBondContact O-ND2 2.97Å; T480-N486 PolarHBondContact OG1-ND2 2.91Å; N483-N486 PolarHBondContact O-N 2.92Å | ||
| 487 | S | 45.9 | Very low | 56 | Low | 70 Ų | 70 | 75 Ų | 75 | 49% | 0.49 | 45% | 0.451 | S | S | . | . | trans | -63.8 | 137.9 | 164.2 | 57.9 | 0 | 0 | 0 | 0 | 109.8 | N485 G489 | N485-S487 PolarHBondContact O-N 3.09Å; S487-G489 PolarHBondContact O-N 3.47Å | ||
| 488 | P | 50.1 | Low | 57.9 | Low | 34 Ų | 34 | 74.6 Ų | 74.6 | 22% | 0.221 | 45% | 0.449 | C | S | . | . | S | Bend | trans | -73.4 | 58.8 | 177.1 | 30.4 | -34.2 | 0 | 0 | 0 | 110.5 | K127 L473 P477 | K127-P488 PolarHBondContact NZ-O 3.25Å; L473-P488 VanDerWaalsContact CD1-O 3.31Å; L473-P488 WeakPolarHBondContact CD1-O 3.38Å; P477-P488 HydrophobicContact CB-CB 3.84Å; P477-P488 HydrophobicContact CB-CG 4.02Å; P477-P488 HydrophobicContact CG-CB 4.21Å; P477-P488 HydrophobicContact CG-CG 3.91Å |
| 489 | G | 60.7 | Low | 59.6 | Low | 9 Ų | 9 | 75.7 Ų | 75.7 | 9% | 0.093 | 46% | 0.455 | C | S | . | . | S | Bend | trans | -125.8 | 169.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | E469 L473 S487 P491 | E469-G489 WeakPolarHBondContact OE1-CA 3.48Å; L473-G489 VanDerWaalsContact CD1-C 3.46Å; S487-G489 PolarHBondContact O-N 3.47Å; G489-P491 WeakPolarHBondContact O-CD 3.35Å |
| 490 | I | 74.5 | Confident | 61.5 | Low | 4 Ų | 4 | 77.9 Ų | 77.9 | 2% | 0.021 | 46% | 0.461 | C | S | . | . | S | Bend | trans | -65.3 | 121.3 | 163.6 | -64.1 | 165.1 | 0 | 0 | 0 | 105 | Y314 C315 Y437 F465 E469 L472 L473 | Y314-I490 VanDerWaalsContact C-CG2 3.45Å; C315-I490 HydrophobicContact CB-CB 4.38Å; C315-I490 HydrophobicContact CB-CG2 3.99Å; C315-I490 PolarHBondContact SG-O 3.39Å; Y437-I490 HydrophobicContact CE2-CD1 4.17Å; F465-I490 HydrophobicContact CE2-CD1 3.96Å; F465-I490 HydrophobicContact CZ-CD1 4.01Å; E469-I490 HydrophobicContact CG-CD1 4.48Å; E469-I490 HydrophobicContact CG-CG1 4.3Å; E469-I490 PolarHBondContact OE1-N 3.14Å; L472-I490 HydrophobicContact CD1-CD1 3.92Å; L473-I490 HydrophobicContact CD1-CG1 4.48Å |
| 491 | P | 70.6 | Confident | 63.4 | Low | 57 Ų | 57 | 80 Ų | 80 | 37% | 0.37 | 46% | 0.464 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 148.4 | -172.5 | 22.4 | -32.1 | 0 | 0 | 0 | 111 | H313 Y314 C315 G489 | H313-P491 VanDerWaalsContact O-CD 3.23Å; H313-P491 WeakPolarHBondContact O-CD 3.46Å; H313-P491 WeakPolarHBondContact O-CG 3.44Å; Y314-P491 CarbonylContact C-O 3.5Å; Y314-P491 WeakPolarHBondContact CA-O 3.15Å; Y314-P491 HydrophobicContact CD1-CB 3.98Å; Y314-P491 HydrophobicContact CD1-CG 3.76Å; Y314-P491 HydrophobicContact CE1-CB 4.19Å; Y314-P491 HydrophobicContact CE1-CG 3.95Å; C315-P491 PolarHBondContact N-O 3.07Å; G489-P491 WeakPolarHBondContact O-CD 3.35Å |
| 492 | R | 79.7 | Confident | 65.5 | Low | 137 Ų | 137 | 78.7 Ų | 78.7 | 52% | 0.517 | 46% | 0.458 | S | S | . | . | B | Isolated β-bridge | trans | -67.5 | 146.3 | 176.5 | -65.9 | -66.2 | -174.6 | -139.6 | -3 | 109.5 | Y314 C315 P494 | Y314-R492 WeakPolarHBondContact CD1-O 3.03Å; C315-R492 WeakPolarHBondContact O-CA 3.44Å; C315-R492 PolarHBondContact SG-NH1 3.43Å; R492-P494 WeakPolarHBondContact O-CD 3.32Å; R492-P494 VanDerWaalsContact O-N 3.15Å |
| 493 | W | 83.6 | Confident | 67.5 | Low | 22 Ų | 22 | 81.5 Ų | 81.5 | 8% | 0.083 | 46% | 0.456 | C | S | . | . | P | Polyproline II helix | trans | -52.5 | 119.7 | 171.7 | -177.7 | -110.9 | 0 | 0 | 0 | 110.2 | Y314 C315 L316 L340 F424 V452 L454 I495 | Y314-W493 AromaticContact CD2-CE3 3.88Å; Y314-W493 HydrophobicContact CD2-CE3 3.88Å; Y314-W493 AromaticContact CD2-CZ3 3.96Å; Y314-W493 HydrophobicContact CD2-CZ3 3.96Å; Y314-W493 HydrophobicContact CG-CE3 4.01Å; C315-W493 PolarHBondContact O-N 3.4Å; L316-W493 HydrophobicContact CB-CB 3.98Å; L316-W493 HydrophobicContact CD1-CB 3.99Å; L316-W493 HydrophobicContact CD1-CG 4.39Å; L316-W493 HydrophobicContact CD2-CG 4.31Å; L316-W493 HydrophobicContact CG-CB 4.36Å; L340-W493 HydrophobicContact CD2-CH2 3.81Å; F424-W493 AromaticContact CE2-CH2 3.94Å; F424-W493 HydrophobicContact CE2-CH2 3.94Å; F424-W493 HydrophobicContact CE2-CZ3 4.18Å; F424-W493 AromaticContact CZ-CH2 3.62Å; F424-W493 HydrophobicContact CZ-CH2 3.62Å; F424-W493 AromaticContact CZ-CZ3 3.89Å; F424-W493 HydrophobicContact CZ-CZ3 3.89Å; V452-W493 HydrophobicContact CG1-CZ3 4.33Å; L454-W493 HydrophobicContact CB-CZ3 4.44Å; L454-W493 HydrophobicContact CD1-CB 4.26Å; L454-W493 HydrophobicContact CD1-CD2 3.99Å; L454-W493 HydrophobicContact CD1-CE3 3.61Å; L454-W493 HydrophobicContact CD1-CG 4.3Å; L454-W493 HydrophobicContact CD1-CZ3 4.23Å; L454-W493 HydrophobicContact CD2-CD2 4.46Å; L454-W493 HydrophobicContact CD2-CE3 4.34Å; L454-W493 HydrophobicContact CD2-CZ3 4.39Å; L454-W493 HydrophobicContact CG-CE3 4.4Å; W493-I495 VanDerWaalsContact C-N 3.33Å; W493-I495 HydrophobicContact CH2-CD1 3.99Å; W493-I495 HydrophobicContact CZ2-CB 4.37Å; W493-I495 HydrophobicContact CZ2-CD1 3.46Å; W493-I495 VanDerWaalsContact CZ2-CD1 3.46Å; W493-I495 HydrophobicContact CZ2-CG1 4.43Å; W493-I495 PolarHBondContact NE1-O 3.31Å; W493-I495 PolarHBondContact O-N 3.28Å |
| 494 | P | 74.6 | Confident | 69.5 | Low | 60 Ų | 60 | 81.4 Ų | 81.4 | 39% | 0.39 | 46% | 0.455 | S | S | . | . | trans | -81.1 | -15.9 | -166.8 | 31 | -36.4 | 0 | 0 | 0 | 113.1 | Y314 I345 R492 | Y314-P494 HydrophobicContact CE1-CG 4.08Å; I345-P494 HydrophobicContact CD1-CG 3.6Å; I345-P494 HydrophobicContact CG1-CG 4.47Å; R492-P494 WeakPolarHBondContact O-CD 3.32Å; R492-P494 VanDerWaalsContact O-N 3.15Å | ||
| 495 | I | 79.9 | Confident | 71.7 | Confident | 9 Ų | 9 | 77.5 Ų | 77.5 | 5% | 0.046 | 41% | 0.414 | C | S | . | . | S | Bend | trans | -89.9 | 124.5 | -175.7 | -62.6 | 150.2 | 0 | 0 | 0 | 109.3 | W329 L339 L340 F343 I345 W493 L497 | W329-I495 HydrophobicContact CH2-CG2 3.79Å; W329-I495 HydrophobicContact CZ2-CG2 4.48Å; L339-I495 HydrophobicContact CD2-CB 4.07Å; L339-I495 HydrophobicContact CD2-CD1 3.46Å; L339-I495 VanDerWaalsContact CD2-CD1 3.46Å; L339-I495 HydrophobicContact CD2-CG1 3.56Å; L339-I495 HydrophobicContact CD2-CG2 3.33Å; L340-I495 HydrophobicContact CD2-CD1 4.21Å; F343-I495 HydrophobicContact CB-CG1 4.35Å; F343-I495 HydrophobicContact CD1-CG1 4.03Å; F343-I495 HydrophobicContact CD2-CD1 4.48Å; F343-I495 HydrophobicContact CD2-CG1 3.83Å; F343-I495 HydrophobicContact CE1-CG1 4.24Å; F343-I495 HydrophobicContact CE2-CG1 4.06Å; F343-I495 HydrophobicContact CE2-CG2 4.23Å; F343-I495 HydrophobicContact CG-CG1 3.8Å; F343-I495 HydrophobicContact CZ-CG1 4.24Å; F343-I495 HydrophobicContact CZ-CG2 4.25Å; I345-I495 HydrophobicContact CD1-CD1 3.91Å; I345-I495 HydrophobicContact CD1-CG1 4.4Å; W493-I495 VanDerWaalsContact C-N 3.33Å; W493-I495 HydrophobicContact CH2-CD1 3.99Å; W493-I495 HydrophobicContact CZ2-CB 4.37Å; W493-I495 HydrophobicContact CZ2-CD1 3.46Å; W493-I495 VanDerWaalsContact CZ2-CD1 3.46Å; W493-I495 HydrophobicContact CZ2-CG1 4.43Å; W493-I495 PolarHBondContact NE1-O 3.31Å; W493-I495 PolarHBondContact O-N 3.28Å; I495-L497 PolarHBondContact O-N 2.89Å |
| 496 | P | 80.5 | Confident | 74 | Confident | 94 Ų | 94 | 71 Ų | 71 | 61% | 0.61 | 38% | 0.379 | S | S | * | . | P | Polyproline II helix | trans | -58.7 | 136.4 | 174.7 | -23.5 | 33.9 | 0 | 0 | 0 | 112.3 | W329 | W329-P496 WeakPolarHBondContact CH2-O 3.26Š|
| 497 | L | 86.3 | Confident | 76.1 | Confident | 60 Ų | 60 | 70 Ų | 70 | 31% | 0.314 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -71.5 | 159.5 | 171.6 | -64.3 | -180 | 0 | 0 | 0 | 110.9 | L316 I326 W329 I495 | L316-L497 HydrophobicContact CD1-CD1 4.24Å; L316-L497 HydrophobicContact CD2-CD2 4.24Å; I326-L497 HydrophobicContact CD1-CD1 3.66Å; I326-L497 HydrophobicContact CD1-CD2 3.84Å; I326-L497 HydrophobicContact CD1-CG 4.28Å; W329-L497 HydrophobicContact CE3-CD2 3.78Å; W329-L497 HydrophobicContact CH2-CD2 4.05Å; W329-L497 HydrophobicContact CZ3-CD2 3.45Å; W329-L497 VanDerWaalsContact CZ3-CD2 3.45Å; I495-L497 PolarHBondContact O-N 2.89Å |
| 498 | P | 82.4 | Confident | 78.1 | Confident | 27 Ų | 27 | 69.2 Ų | 69.2 | 18% | 0.175 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -58.1 | 148 | 174.8 | -24.1 | 35 | 0 | 0 | 0 | 112.3 | W329 | W329-P498 VanDerWaalsContact CD1-CG 3.47Å; W329-P498 HydrophobicContact CD2-CG 4.05Å; W329-P498 VanDerWaalsContact CE2-CD 3.48Å; W329-P498 HydrophobicContact CG-CG 3.99Å; W329-P498 HydrophobicContact CZ2-CG 4.17Å |
| 499 | D | 80.7 | Confident | 80.1 | Confident | 131 Ų | 131 | 69.2 Ų | 69.2 | 70% | 0.701 | 36% | 0.362 | S | S | * | . | P | Polyproline II helix | trans | -53.1 | 151.9 | 172.9 | -70.9 | -33.1 | 0 | 0 | 0 | 111.9 | H501 G505 L506 | D499-H501 PolarHBondContact O-N 2.98Å; D499-G505 CarbonylContact O-C 3.51Å; D499-G505 WeakPolarHBondContact O-CA 3.38Å; D499-L506 PolarHBondContact O-N 2.96Å |
| 500 | L | 79.1 | Confident | 81.6 | Confident | 113 Ų | 113 | 71.1 Ų | 71.1 | 59% | 0.592 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -61 | -35.3 | 179.5 | -81.4 | 85.6 | 0 | 0 | 0 | 112.5 | L507 | L500-L507 WeakPolarHBondContact O-CB 3.3Å; L500-L507 PolarHBondContact O-N 3.13Å |
| 501 | H | 78.5 | Confident | 82.5 | Confident | 147 Ų | 147 | 78.7 Ų | 78.7 | 68% | 0.681 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -114 | 168.1 | -173.1 | -53.8 | 98.6 | 0 | 0 | 0 | 111.1 | D499 G505 | D499-H501 PolarHBondContact O-N 2.98Å; H501-G505 WeakPolarHBondContact O-CA 3.28Å |
| 502 | G | 76.9 | Confident | 83.5 | Confident | 50 Ų | 50 | 80.9 Ų | 80.9 | 52% | 0.515 | 40% | 0.402 | S | S | . | . | S | Bend | trans | 102.9 | 168.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | N504 G505 T508 | G502-N504 VanDerWaalsContact C-N 3.26Å; G502-N504 PolarHBondContact O-N 3.24Å; G502-G505 PolarHBondContact O-N 3.06Å; G502-T508 PolarHBondContact O-OG1 3.23Å; G502-T508 VanDerWaalsContact O-OG1 3.07Å |
| 503 | R | 77.8 | Confident | 84.2 | Confident | 226 Ų | 226 | 74.3 Ų | 74.3 | 85% | 0.853 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -38.3 | -175 | -159 | 178.3 | -161.3 | 173.2 | 4.1 | 112 | T508 | R503-T508 WeakPolarHBondContact O-CB 3.3Å; R503-T508 VanDerWaalsContact O-CG2 3.31Å; R503-T508 WeakPolarHBondContact O-CG2 3.37Å |
| 504 | N | 77.7 | Confident | 84.7 | Confident | 127 Ų | 127 | 77.1 Ų | 77.1 | 68% | 0.679 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.3 | 12.7 | 176.9 | -61.7 | -9.8 | 0 | 0 | 0 | 112.5 | G502 R509 | G502-N504 VanDerWaalsContact C-N 3.26Å; G502-N504 PolarHBondContact O-N 3.24Å; N504-R509 WeakPolarHBondContact O-CD 3.44Å |
| 505 | G | 85.2 | Confident | 85.7 | Confident | 3 Ų | 3 | 79.4 Ų | 79.4 | 3% | 0.031 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -72.3 | 162.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113 | D499 H501 G502 L507 T508 R509 | D499-G505 CarbonylContact O-C 3.51Å; D499-G505 WeakPolarHBondContact O-CA 3.38Å; H501-G505 WeakPolarHBondContact O-CA 3.28Å; G502-G505 PolarHBondContact O-N 3.06Å; G505-L507 PolarHBondContact O-N 3.19Å; G505-L507 VanDerWaalsContact O-N 3.17Å; G505-T508 PolarHBondContact O-N 2.76Å; G505-T508 VanDerWaalsContact O-N 3.15Å; G505-R509 WeakPolarHBondContact O-CG 3.37Å; G505-R509 PolarHBondContact O-N 3.36Å |
| 506 | L | 86.4 | Confident | 86.5 | Confident | 16 Ų | 16 | 79.2 Ų | 79.2 | 8% | 0.084 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -57 | -34.8 | -174.1 | -169 | 68.2 | 0 | 0 | 0 | 112.9 | T325 I326 D499 R510 | T325-L506 HydrophobicContact CG2-CD1 3.95Å; I326-L506 HydrophobicContact CD1-CD1 3.65Å; I326-L506 HydrophobicContact CG1-CD1 4.48Å; D499-L506 PolarHBondContact O-N 2.96Å; L506-R510 WeakPolarHBondContact O-CB 3.49Å; L506-R510 PolarHBondContact O-N 3.3Å |
| 507 | L | 86.2 | Confident | 87.2 | Confident | 74 Ų | 74 | 78 Ų | 78 | 39% | 0.387 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -69.2 | -40.2 | 180 | -165.1 | 69.5 | 0 | 0 | 0 | 112.9 | L500 G505 R510 R511 | L500-L507 WeakPolarHBondContact O-CB 3.3Å; L500-L507 PolarHBondContact O-N 3.13Å; G505-L507 PolarHBondContact O-N 3.19Å; G505-L507 VanDerWaalsContact O-N 3.17Å; L507-R510 PolarHBondContact O-N 2.91Å; L507-R511 PolarHBondContact O-N 2.74Å |
| 508 | T | 89.3 | Confident | 87.6 | Confident | 54 Ų | 54 | 78.3 Ų | 78.3 | 33% | 0.331 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -67.4 | -45.4 | 176.1 | -53.9 | 0 | 0 | 0 | 0 | 110 | G502 R503 G505 R510 R511 L512 | G502-T508 PolarHBondContact O-OG1 3.23Å; G502-T508 VanDerWaalsContact O-OG1 3.07Å; R503-T508 WeakPolarHBondContact O-CB 3.3Å; R503-T508 VanDerWaalsContact O-CG2 3.31Å; R503-T508 WeakPolarHBondContact O-CG2 3.37Å; G505-T508 PolarHBondContact O-N 2.76Å; G505-T508 VanDerWaalsContact O-N 3.15Å; T508-R510 PolarHBondContact O-N 3.01Å; T508-R511 PolarHBondContact O-N 2.93Å; T508-R511 VanDerWaalsContact O-N 3.16Å; T508-L512 PolarHBondContact O-N 2.87Å |
| 509 | R | 92.2 | Very high | 88.3 | Confident | 33 Ų | 33 | 83.6 Ų | 83.6 | 13% | 0.125 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -60.3 | -35.4 | 175.4 | -64.7 | -175.2 | 66.5 | 89.5 | 11.2 | 112 | T325 E332 N504 G505 L512 A513 | T325-R509 VanDerWaalsContact CG2-C 3.47Å; T325-R509 HydrophobicContact CG2-CB 3.54Å; E332-R509 IonicContact OE1-NH1 2.8Å; E332-R509 IonicContact OE2-CZ 3.8Å; E332-R509 IonicContact OE2-NH1 2.61Å; E332-R509 PolarHBondContact OE2-NH1 2.98Å; E332-R509 IonicContact OE2-NH2 3.15Å; E332-R509 PolarHBondContact OE2-NH2 3.36Å; N504-R509 WeakPolarHBondContact O-CD 3.44Å; G505-R509 WeakPolarHBondContact O-CG 3.37Å; G505-R509 PolarHBondContact O-N 3.36Å; R509-L512 PolarHBondContact O-N 2.98Å; R509-A513 WeakPolarHBondContact O-CB 3.43Å; R509-A513 PolarHBondContact O-N 2.93Å |
| 510 | R | 92.3 | Very high | 89 | Confident | 49 Ų | 49 | 77.4 Ų | 77.4 | 19% | 0.185 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61.4 | -46.7 | 174.7 | -168.5 | -174.1 | -59.8 | 132.1 | 17.5 | 112 | D322 T325 L506 L507 T508 L512 A513 D514 | D322-R510 IonicContact OD1-CZ 2.68Å; D322-R510 IonicContact OD1-NE 3.66Å; D322-R510 PolarHBondContact OD1-NE 2.96Å; D322-R510 IonicContact OD1-NH2 3.01Å; D322-R510 PolarHBondContact OD1-NH2 3.12Å; D322-R510 IonicContact OD2-NH2 2.6Å; T325-R510 HydrophobicContact CG2-CB 4.36Å; T325-R510 WeakPolarHBondContact OG1-CA 3.24Å; L506-R510 WeakPolarHBondContact O-CB 3.49Å; L506-R510 PolarHBondContact O-N 3.3Å; L507-R510 PolarHBondContact O-N 2.91Å; T508-R510 PolarHBondContact O-N 3.01Å; R510-L512 VanDerWaalsContact C-N 3.31Å; R510-L512 PolarHBondContact O-N 3.45Å; R510-A513 PolarHBondContact O-N 3.49Å; R510-D514 VanDerWaalsContact O-CG 3.26Å; R510-D514 PolarHBondContact O-N 3.48Å |
| 511 | R | 92.3 | Very high | 89.8 | Confident | 164 Ų | 164 | 74.3 Ų | 74.3 | 62% | 0.619 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -59.4 | -42.4 | 178 | -67.6 | 177.9 | -178.6 | 169.6 | 1 | 112.1 | L507 T508 D514 Q515 | L507-R511 PolarHBondContact O-N 2.74Å; T508-R511 PolarHBondContact O-N 2.93Å; T508-R511 VanDerWaalsContact O-N 3.16Å; R511-D514 PolarHBondContact O-N 3.41Å; R511-Q515 WeakPolarHBondContact O-CG 3.47Å; R511-Q515 PolarHBondContact O-N 3.48Å; R511-Q515 VanDerWaalsContact O-N 3.1Å |
| 512 | L | 92.9 | Very high | 90.6 | Very high | 102 Ų | 102 | 74.8 Ų | 74.8 | 53% | 0.534 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.5 | -43.2 | 176.6 | -65.9 | 175.3 | 0 | 0 | 0 | 111.5 | T508 R509 R510 D514 Q515 A516 | T508-L512 PolarHBondContact O-N 2.87Å; R509-L512 PolarHBondContact O-N 2.98Å; R510-L512 VanDerWaalsContact C-N 3.31Å; R510-L512 PolarHBondContact O-N 3.45Å; L512-D514 PolarHBondContact O-N 3.15Å; L512-Q515 PolarHBondContact O-N 2.87Å; L512-A516 PolarHBondContact O-N 3.27Å |
| 513 | A | 93.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.8 | -42.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | F372 R509 R510 Q515 A516 W517 | F372-A513 HydrophobicContact CE2-CB 4Å; F372-A513 WeakPolarHBondContact CE2-O 3.45Å; F372-A513 HydrophobicContact CZ-CB 4.07Å; R509-A513 WeakPolarHBondContact O-CB 3.43Å; R509-A513 PolarHBondContact O-N 2.93Å; R510-A513 PolarHBondContact O-N 3.49Å; A513-Q515 VanDerWaalsContact C-N 3.32Å; A513-Q515 PolarHBondContact O-N 3.19Å; A513-A516 PolarHBondContact O-N 2.85Å; A513-W517 VanDerWaalsContact O-CB 3.28Å; A513-W517 WeakPolarHBondContact O-CB 3.37Å; A513-W517 PolarHBondContact O-N 2.89Å |
| 514 | D | 94.1 | Very high | 92 | Very high | 81 Ų | 81 | 64 Ų | 64 | 43% | 0.433 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.9 | -37.6 | 177.6 | -68.5 | -23.9 | 0 | 0 | 0 | 111.9 | R510 R511 L512 S518 | R510-D514 VanDerWaalsContact O-CG 3.26Å; R510-D514 PolarHBondContact O-N 3.48Å; R511-D514 PolarHBondContact O-N 3.41Å; L512-D514 PolarHBondContact O-N 3.15Å; D514-S518 WeakPolarHBondContact O-CB 3.41Å; D514-S518 PolarHBondContact O-N 2.88Å; D514-S518 PolarHBondContact O-OG 2.87Å |
| 515 | Q | 95.7 | Very high | 92.7 | Very high | 107 Ų | 107 | 66.1 Ų | 66.1 | 50% | 0.5 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.8 | -48.9 | 174.3 | -73.4 | 176.6 | 1.6 | 0 | 0 | 111.5 | R511 L512 A513 W517 S518 R519 | R511-Q515 WeakPolarHBondContact O-CG 3.47Å; R511-Q515 PolarHBondContact O-N 3.48Å; R511-Q515 VanDerWaalsContact O-N 3.1Å; L512-Q515 PolarHBondContact O-N 2.87Å; A513-Q515 VanDerWaalsContact C-N 3.32Å; A513-Q515 PolarHBondContact O-N 3.19Å; Q515-W517 VanDerWaalsContact C-N 3.31Å; Q515-W517 PolarHBondContact O-N 3.36Å; Q515-S518 WeakPolarHBondContact O-CB 3.47Å; Q515-S518 PolarHBondContact O-N 3.36Å; Q515-R519 WeakPolarHBondContact O-CG 3.28Å; Q515-R519 PolarHBondContact O-N 2.88Å |
| 516 | A | 95.4 | Very high | 93 | Very high | 6 Ų | 6 | 69.5 Ų | 69.5 | 5% | 0.05 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.7 | -42.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | F372 E375 L512 A513 S518 R519 A520 | F372-A516 HydrophobicContact CD2-CB 3.96Å; F372-A516 HydrophobicContact CE2-CB 3.96Å; E375-A516 HydrophobicContact CB-CB 3.95Å; L512-A516 PolarHBondContact O-N 3.27Å; A513-A516 PolarHBondContact O-N 2.85Å; A516-S518 VanDerWaalsContact C-N 3.3Å; A516-S518 PolarHBondContact O-N 2.98Å; A516-R519 PolarHBondContact O-N 2.99Å; A516-A520 WeakPolarHBondContact O-CB 3.23Å; A516-A520 PolarHBondContact O-N 3.37Å |
| 517 | W | 95.3 | Very high | 93 | Very high | 69 Ų | 69 | 72.9 Ų | 72.9 | 26% | 0.261 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.1 | -38.8 | 176.5 | -164.4 | -82 | 0 | 0 | 0 | 112.4 | P324 M368 V369 F372 A513 Q515 S521 | P324-W517 HydrophobicContact CB-CE3 3.82Å; P324-W517 HydrophobicContact CB-CZ3 3.95Å; P324-W517 HydrophobicContact CG-CE3 3.95Å; P324-W517 HydrophobicContact CG-CZ3 3.92Å; M368-W517 HydrophobicContact CB-CH2 4.41Å; M368-W517 HydrophobicContact CB-CZ2 4.2Å; M368-W517 HydrophobicContact CE-CZ2 4.19Å; V369-W517 HydrophobicContact CG2-CH2 4.06Å; V369-W517 HydrophobicContact CG2-CZ3 4.34Å; F372-W517 HydrophobicContact CB-CE3 3.78Å; F372-W517 HydrophobicContact CB-CZ3 4.02Å; F372-W517 HydrophobicContact CD1-CE3 4.07Å; F372-W517 HydrophobicContact CD1-CZ3 4.06Å; F372-W517 HydrophobicContact CD2-CB 4.12Å; F372-W517 HydrophobicContact CD2-CD2 4.44Å; F372-W517 AromaticContact CD2-CE3 3.62Å; F372-W517 HydrophobicContact CD2-CE3 3.62Å; F372-W517 HydrophobicContact CD2-CZ3 4.41Å; F372-W517 HydrophobicContact CE2-CE3 4.21Å; F372-W517 AromaticContact CG-CE3 3.52Å; F372-W517 HydrophobicContact CG-CE3 3.52Å; F372-W517 AromaticContact CG-CZ3 3.88Å; F372-W517 HydrophobicContact CG-CZ3 3.88Å; A513-W517 VanDerWaalsContact O-CB 3.28Å; A513-W517 WeakPolarHBondContact O-CB 3.37Å; A513-W517 PolarHBondContact O-N 2.89Å; Q515-W517 VanDerWaalsContact C-N 3.31Å; Q515-W517 PolarHBondContact O-N 3.36Å; W517-S521 WeakPolarHBondContact O-CB 3.38Å; W517-S521 PolarHBondContact O-N 2.83Å; W517-S521 PolarHBondContact O-OG 3.21Å |
| 518 | S | 95.8 | Very high | 92.9 | Very high | 66 Ų | 66 | 73.8 Ų | 73.8 | 46% | 0.462 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -67.8 | -39.2 | 176.1 | -61 | 0 | 0 | 0 | 0 | 112.1 | D514 Q515 A516 K522 | D514-S518 WeakPolarHBondContact O-CB 3.41Å; D514-S518 PolarHBondContact O-N 2.88Å; D514-S518 PolarHBondContact O-OG 2.87Å; Q515-S518 WeakPolarHBondContact O-CB 3.47Å; Q515-S518 PolarHBondContact O-N 3.36Å; A516-S518 VanDerWaalsContact C-N 3.3Å; A516-S518 PolarHBondContact O-N 2.98Å; S518-K522 WeakPolarHBondContact O-CG 3.47Å; S518-K522 PolarHBondContact O-N 3.47Å |
| 519 | R | 96.7 | Very high | 92.6 | Very high | 138 Ų | 138 | 75.5 Ų | 75.5 | 52% | 0.521 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65.2 | -48.4 | 174.5 | -69.3 | 176.6 | -178 | 168.9 | -1 | 111.1 | E375 Q515 A516 S521 K522 T523 | E375-R519 VanDerWaalsContact CD-CB 3.5Å; E375-R519 HydrophobicContact CG-CB 3.97Å; E375-R519 VanDerWaalsContact OE2-CB 3.29Å; E375-R519 WeakPolarHBondContact OE2-CB 3.28Å; E375-R519 VanDerWaalsContact OE2-CD 3.23Å; E375-R519 WeakPolarHBondContact OE2-CD 3.18Å; Q515-R519 WeakPolarHBondContact O-CG 3.28Å; Q515-R519 PolarHBondContact O-N 2.88Å; A516-R519 PolarHBondContact O-N 2.99Å; R519-S521 VanDerWaalsContact C-N 3.26Å; R519-S521 PolarHBondContact O-N 3.31Å; R519-K522 WeakPolarHBondContact O-CA 3.04Å; R519-K522 WeakPolarHBondContact O-CB 3.4Å; R519-K522 PolarHBondContact O-N 3.08Å; R519-T523 PolarHBondContact O-N 2.8Å; R519-T523 PolarHBondContact O-OG1 3.41Å |
| 520 | A | 95.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 76.8 Ų | 76.8 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -54.1 | -43.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | E371 F372 E375 A516 K522 T523 I524 | E371-A520 HydrophobicContact CB-CB 3.82Å; E371-A520 HydrophobicContact CG-CB 3.65Å; F372-A520 HydrophobicContact CB-CB 4.35Å; E375-A520 HydrophobicContact CG-CB 4.09Å; A516-A520 WeakPolarHBondContact O-CB 3.23Å; A516-A520 PolarHBondContact O-N 3.37Å; A520-K522 VanDerWaalsContact C-N 3.3Å; A520-K522 PolarHBondContact O-N 3.22Å; A520-T523 PolarHBondContact O-N 3.2Å; A520-I524 WeakPolarHBondContact O-CG1 3.46Å; A520-I524 PolarHBondContact O-N 3.25Å |
| 521 | S | 95.2 | Very high | 91.3 | Very high | 48 Ų | 48 | 80.4 Ų | 80.4 | 34% | 0.336 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60.3 | -39.1 | 176.6 | -57 | 0 | 0 | 0 | 0 | 112.5 | M368 W517 R519 R525 | M368-S521 WeakPolarHBondContact CE-OG 3.29Å; W517-S521 WeakPolarHBondContact O-CB 3.38Å; W517-S521 PolarHBondContact O-N 2.83Å; W517-S521 PolarHBondContact O-OG 3.21Å; R519-S521 VanDerWaalsContact C-N 3.26Å; R519-S521 PolarHBondContact O-N 3.31Å; S521-R525 WeakPolarHBondContact O-CB 3.39Å; S521-R525 PolarHBondContact O-N 3.02Å; S521-R525 VanDerWaalsContact O-N 3.17Å |
| 522 | K | 95.1 | Very high | 90.5 | Very high | 157 Ų | 157 | 80.5 Ų | 80.5 | 68% | 0.683 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -70 | -43.1 | 177.2 | -68.9 | 175 | -178.7 | -177.8 | 0 | 111.2 | S518 R519 A520 R525 S526 | S518-K522 WeakPolarHBondContact O-CG 3.47Å; S518-K522 PolarHBondContact O-N 3.47Å; R519-K522 WeakPolarHBondContact O-CA 3.04Å; R519-K522 WeakPolarHBondContact O-CB 3.4Å; R519-K522 PolarHBondContact O-N 3.08Å; A520-K522 VanDerWaalsContact C-N 3.3Å; A520-K522 PolarHBondContact O-N 3.22Å; K522-R525 PolarHBondContact O-N 3.46Å; K522-S526 PolarHBondContact O-N 2.9Å |
| 523 | T | 93.6 | Very high | 89.6 | Confident | 41 Ų | 41 | 80.4 Ų | 80.4 | 25% | 0.252 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -60.7 | -46.7 | 178.5 | -51.1 | 0 | 0 | 0 | 0 | 111.1 | E371 E375 R519 A520 R525 S526 Q527 | E371-T523 VanDerWaalsContact OE1-CG2 3.23Å; E371-T523 WeakPolarHBondContact OE1-CG2 3.34Å; E375-T523 PolarHBondContact OE1-OG1 2.93Å; R519-T523 PolarHBondContact O-N 2.8Å; R519-T523 PolarHBondContact O-OG1 3.41Å; A520-T523 PolarHBondContact O-N 3.2Å; T523-R525 VanDerWaalsContact C-N 3.34Å; T523-R525 PolarHBondContact O-N 3.17Å; T523-S526 WeakPolarHBondContact O-CB 3.23Å; T523-S526 PolarHBondContact O-N 3.28Å; T523-Q527 WeakPolarHBondContact O-CG 3.42Å; T523-Q527 PolarHBondContact O-N 3.27Å |
| 524 | I | 91.3 | Very high | 88.1 | Confident | 10 Ų | 10 | 84.8 Ų | 84.8 | 5% | 0.051 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -61.6 | -42.4 | 177.2 | -71.2 | 162.4 | 0 | 0 | 0 | 111.6 | I367 M368 E371 A520 Q527 L528 | I367-I524 HydrophobicContact CG2-CD1 3.82Å; I367-I524 HydrophobicContact CG2-CG1 3.95Å; I367-I524 HydrophobicContact CG2-CG2 4.49Å; M368-I524 HydrophobicContact CE-CD1 4.3Å; M368-I524 HydrophobicContact CG-CD1 4.15Å; M368-I524 HydrophobicContact SD-CD1 3.27Å; M368-I524 WeakPolarHBondContact SD-CD1 3.18Å; E371-I524 HydrophobicContact CB-CD1 3.75Å; E371-I524 HydrophobicContact CB-CG1 4.12Å; E371-I524 HydrophobicContact CG-CD1 4.16Å; E371-I524 HydrophobicContact CG-CG1 4.08Å; A520-I524 WeakPolarHBondContact O-CG1 3.46Å; A520-I524 PolarHBondContact O-N 3.25Å; I524-Q527 PolarHBondContact O-N 2.82Å; I524-L528 HydrophobicContact CG2-CD1 3.9Å; I524-L528 WeakPolarHBondContact O-CG 3.4Å; I524-L528 PolarHBondContact O-N 2.92Å |
| 525 | R | 91.7 | Very high | 86.4 | Confident | 170 Ų | 170 | 85.5 Ų | 85.5 | 64% | 0.642 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -63.2 | -43.3 | 177.2 | -176.2 | 174.2 | 177.2 | 163.5 | 2.5 | 111.5 | S521 K522 T523 L528 E529 | S521-R525 WeakPolarHBondContact O-CB 3.39Å; S521-R525 PolarHBondContact O-N 3.02Å; S521-R525 VanDerWaalsContact O-N 3.17Å; K522-R525 PolarHBondContact O-N 3.46Å; T523-R525 VanDerWaalsContact C-N 3.34Å; T523-R525 PolarHBondContact O-N 3.17Å; R525-L528 PolarHBondContact O-N 2.87Å; R525-E529 WeakPolarHBondContact CG-OE1 3.48Å; R525-E529 IonicContact CZ-OE1 3.76Å; R525-E529 IonicContact NE-OE1 2.9Å; R525-E529 PolarHBondContact NE-OE1 3.33Å; R525-E529 IonicContact NH2-OE1 3.73Å; R525-E529 WeakPolarHBondContact O-CB 3.25Å; R525-E529 WeakPolarHBondContact O-CG 3.45Å; R525-E529 PolarHBondContact O-N 3.48Å |
| 526 | S | 91.4 | Very high | 84.6 | Confident | 75 Ų | 75 | 85 Ų | 85 | 52% | 0.524 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -61.2 | -43.1 | 176.4 | -170.5 | 0 | 0 | 0 | 0 | 112 | K522 T523 E529 S530 | K522-S526 PolarHBondContact O-N 2.9Å; T523-S526 WeakPolarHBondContact O-CB 3.23Å; T523-S526 PolarHBondContact O-N 3.28Å; S526-E529 PolarHBondContact O-N 3.38Å; S526-S530 PolarHBondContact O-N 3.04Å; S526-S530 PolarHBondContact O-OG 3.02Å |
| 527 | Q | 86.9 | Confident | 82.6 | Confident | 87 Ų | 87 | 90.1 Ų | 90.1 | 41% | 0.407 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -64 | -41.9 | 177.1 | -72.3 | 170.9 | -8.5 | 0 | 0 | 112 | T523 I524 S530 H531 | T523-Q527 WeakPolarHBondContact O-CG 3.42Å; T523-Q527 PolarHBondContact O-N 3.27Å; I524-Q527 PolarHBondContact O-N 2.82Å; Q527-S530 WeakPolarHBondContact CA-OG 3.32Å; Q527-S530 PolarHBondContact O-N 3.36Å; Q527-S530 PolarHBondContact O-OG 3.5Å; Q527-H531 PolarHBondContact O-CD2 3.39Å; Q527-H531 PolarHBondContact O-N 3.32Å |
| 528 | L | 83.5 | Confident | 80.3 | Confident | 93 Ų | 93 | 93.1 Ų | 93.1 | 49% | 0.487 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66 | -38.8 | 176.8 | -74.9 | 165.5 | 0 | 0 | 0 | 112.3 | I524 R525 R532 | I524-L528 HydrophobicContact CG2-CD1 3.9Å; I524-L528 WeakPolarHBondContact O-CG 3.4Å; I524-L528 PolarHBondContact O-N 2.92Å; R525-L528 PolarHBondContact O-N 2.87Å; L528-R532 WeakPolarHBondContact O-CG 3.41Å; L528-R532 PolarHBondContact O-N 3.18Å; L528-R532 VanDerWaalsContact O-N 3.08Å |
| 529 | E | 84.1 | Confident | 77.9 | Confident | 89 Ų | 89 | 95.1 Ų | 95.1 | 42% | 0.416 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67.2 | -40.6 | 176.7 | -74 | 171.4 | -171.6 | 0 | 0 | 111.4 | R525 S526 R532 N533 | R525-E529 WeakPolarHBondContact CG-OE1 3.48Å; R525-E529 IonicContact CZ-OE1 3.76Å; R525-E529 IonicContact NE-OE1 2.9Å; R525-E529 PolarHBondContact NE-OE1 3.33Å; R525-E529 IonicContact NH2-OE1 3.73Å; R525-E529 WeakPolarHBondContact O-CB 3.25Å; R525-E529 WeakPolarHBondContact O-CG 3.45Å; R525-E529 PolarHBondContact O-N 3.48Å; S526-E529 PolarHBondContact O-N 3.38Å; E529-R532 PolarHBondContact O-N 3.23Å; E529-N533 PolarHBondContact O-N 3.32Å |
| 530 | S | 81.1 | Confident | 75.3 | Confident | 61 Ų | 61 | 95 Ų | 95 | 43% | 0.427 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.6 | -40.7 | 174.7 | 57.2 | 0 | 0 | 0 | 0 | 112.6 | S526 Q527 N533 V534 | S526-S530 PolarHBondContact O-N 3.04Å; S526-S530 PolarHBondContact O-OG 3.02Å; Q527-S530 WeakPolarHBondContact CA-OG 3.32Å; Q527-S530 PolarHBondContact O-N 3.36Å; Q527-S530 PolarHBondContact O-OG 3.5Å; S530-N533 PolarHBondContact O-N 2.82Å; S530-V534 WeakPolarHBondContact O-CG2 3.34Å; S530-V534 PolarHBondContact O-N 2.82Å; S530-V534 VanDerWaalsContact O-N 3.14Å |
| 531 | H | 76.1 | Confident | 72.4 | Confident | 124 Ų | 124 | 101.3 Ų | 101.3 | 57% | 0.574 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.2 | -42.4 | 175.7 | -80.6 | -63.8 | 0 | 0 | 0 | 112.1 | Q527 V534 D535 | Q527-H531 PolarHBondContact O-CD2 3.39Å; Q527-H531 PolarHBondContact O-N 3.32Å; H531-V534 PolarHBondContact O-N 2.65Å; H531-D535 PolarHBondContact O-N 3.31Å |
| 532 | R | 75.5 | Confident | 69.4 | Low | 166 Ų | 166 | 104.9 Ų | 104.9 | 63% | 0.626 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64.2 | -40.4 | 176.9 | -75 | 177.8 | -178.1 | -176.6 | -0.3 | 113.3 | L528 E529 V534 D535 N536 | L528-R532 WeakPolarHBondContact O-CG 3.41Å; L528-R532 PolarHBondContact O-N 3.18Å; L528-R532 VanDerWaalsContact O-N 3.08Å; E529-R532 PolarHBondContact O-N 3.23Å; R532-V534 VanDerWaalsContact C-N 3.29Å; R532-V534 PolarHBondContact O-N 2.76Å; R532-D535 PolarHBondContact O-N 2.93Å; R532-N536 WeakPolarHBondContact O-CB 3.5Å; R532-N536 VanDerWaalsContact O-CG 3.23Å; R532-N536 PolarHBondContact O-N 3.31Å |
| 533 | N | 72.6 | Confident | 66.8 | Low | 100 Ų | 100 | 103.5 Ų | 103.5 | 54% | 0.535 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.8 | -34.1 | 178.3 | -73.7 | -9.3 | 0 | 0 | 0 | 111.7 | E529 S530 N537 | E529-N533 PolarHBondContact O-N 3.32Å; S530-N533 PolarHBondContact O-N 2.82Å; N533-N537 VanDerWaalsContact O-CB 3.29Å; N533-N537 WeakPolarHBondContact O-CB 3.34Å; N533-N537 VanDerWaalsContact O-CG 3.23Å; N533-N537 PolarHBondContact O-N 3.36Å |
| 534 | V | 63.8 | Low | 64 | Low | 92 Ų | 92 | 109.6 Ų | 109.6 | 56% | 0.558 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -68.2 | -45.9 | 173.7 | 174.4 | 0 | 0 | 0 | 0 | 110.7 | S530 H531 R532 N536 N537 L538 | S530-V534 WeakPolarHBondContact O-CG2 3.34Å; S530-V534 PolarHBondContact O-N 2.82Å; S530-V534 VanDerWaalsContact O-N 3.14Å; H531-V534 PolarHBondContact O-N 2.65Å; R532-V534 VanDerWaalsContact C-N 3.29Å; R532-V534 PolarHBondContact O-N 2.76Å; V534-N536 PolarHBondContact O-N 2.98Å; V534-N537 PolarHBondContact O-N 3.39Å; V534-L538 WeakPolarHBondContact O-CB 3.41Å; V534-L538 PolarHBondContact O-N 3.03Å |
| 535 | D | 59 | Low | 61.1 | Low | 97 Ų | 97 | 115.5 Ų | 115.5 | 52% | 0.519 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -63.3 | -41.3 | 178.4 | -68.7 | -22.7 | 0 | 0 | 0 | 111.6 | H531 R532 L538 T539 | H531-D535 PolarHBondContact O-N 3.31Å; R532-D535 PolarHBondContact O-N 2.93Å; D535-L538 PolarHBondContact O-N 3.01Å; D535-T539 PolarHBondContact O-N 3.2Å; D535-T539 PolarHBondContact O-OG1 2.76Å |
| 536 | N | 57.1 | Low | 58.3 | Low | 95 Ų | 95 | 112.7 Ų | 112.7 | 51% | 0.508 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -68.6 | -39.1 | 177.1 | -72.7 | -5.2 | 0 | 0 | 0 | 112.6 | R532 V534 L538 T539 | R532-N536 WeakPolarHBondContact O-CB 3.5Å; R532-N536 VanDerWaalsContact O-CG 3.23Å; R532-N536 PolarHBondContact O-N 3.31Å; V534-N536 PolarHBondContact O-N 2.98Å; N536-L538 PolarHBondContact O-N 3.34Å; N536-T539 WeakPolarHBondContact CA-OG1 3.3Å; N536-T539 PolarHBondContact O-N 3.21Å; N536-T539 PolarHBondContact O-OG1 3.33Å |
| 537 | N | 52.9 | Low | 55.7 | Low | 115 Ų | 115 | 117.3 Ų | 117.3 | 62% | 0.615 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -70.1 | -23.9 | 175.7 | -76.9 | -6.3 | 0 | 0 | 0 | 112.3 | N533 V534 | N533-N537 VanDerWaalsContact O-CB 3.29Å; N533-N537 WeakPolarHBondContact O-CB 3.34Å; N533-N537 VanDerWaalsContact O-CG 3.23Å; N533-N537 PolarHBondContact O-N 3.36Å; V534-N537 PolarHBondContact O-N 3.39Å |
| 538 | L | 46.2 | Very low | 53.4 | Low | 131 Ų | 131 | 120.6 Ų | 120.6 | 69% | 0.686 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -78.1 | -22.7 | 174.8 | -154.9 | 74.2 | 0 | 0 | 0 | 112.2 | V534 D535 N536 | V534-L538 WeakPolarHBondContact O-CB 3.41Å; V534-L538 PolarHBondContact O-N 3.03Å; D535-L538 PolarHBondContact O-N 3.01Å; N536-L538 PolarHBondContact O-N 3.34Å |
| 539 | T | 46.7 | Very low | 51 | Low | 109 Ų | 109 | 120.9 Ų | 120.9 | 67% | 0.669 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -81.9 | -12.2 | 173.7 | 42.2 | 0 | 0 | 0 | 0 | 114.6 | D535 N536 | D535-T539 PolarHBondContact O-N 3.2Å; D535-T539 PolarHBondContact O-OG1 2.76Å; N536-T539 WeakPolarHBondContact CA-OG1 3.3Å; N536-T539 PolarHBondContact O-N 3.21Å; N536-T539 PolarHBondContact O-OG1 3.33Å |
| 540 | D | 42.3 | Very low | 48.4 | Very low | 135 Ų | 135 | 122.8 Ų | 122.8 | 72% | 0.722 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | 11.1 | 178.8 | -82.3 | -15.1 | 0 | 0 | 0 | 113.8 | ||
| 541 | L | 34.2 | Very low | 46.1 | Very low | 133 Ų | 133 | 127.5 Ų | 127.5 | 70% | 0.696 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -123.7 | 76.3 | 176.1 | -73.3 | 163.5 | 0 | 0 | 0 | 110.7 | ||
| 542 | D | 33.1 | Very low | 44.1 | Very low | 122 Ų | 122 | 125.7 Ų | 125.7 | 65% | 0.652 | 65% | 0.654 | S | S | * | * | 168.2 | 99.4 | 125.9 | -98 | -24.7 | 0 | 0 | 0 | 111.7 | M544 | D542-M544 PolarHBondContact O-N 3.11Š| |||
| 543 | P | 39.3 | Very low | 41.8 | Very low | 128 Ų | 128 | 126.6 Ų | 126.6 | 83% | 0.831 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -93.2 | 59.5 | 163.3 | 36.5 | -29.7 | 0 | 0 | 0 | 110.1 | ||
| 544 | M | 34.7 | Very low | 39.9 | Very low | 169 Ų | 169 | 125.5 Ų | 125.5 | 83% | 0.833 | 66% | 0.663 | S | S | * | * | trans | -168 | 52.2 | 167.1 | -136.8 | 168.8 | 69.6 | 0 | 0 | 115 | D542 | D542-M544 PolarHBondContact O-N 3.11Š| ||
| 545 | I | 31.7 | Very low | 38.3 | Very low | 135 Ų | 135 | 128.1 Ų | 128.1 | 69% | 0.692 | 67% | 0.674 | S | S | * | * | trans | -114.9 | 99.1 | 168 | -58.8 | -178.8 | 0 | 0 | 0 | 109 | ||||
| 546 | N | 32.1 | Very low | 36.9 | Very low | 110 Ų | 110 | 128 Ų | 128 | 59% | 0.588 | 68% | 0.68 | S | S | * | * | trans | -11 | 117.2 | 171.1 | -77.7 | -15.7 | 0 | 0 | 0 | 116.9 | E548 L549 | N546-E548 HydrophobicContact CB-CB 4.46Å; N546-E548 PolarHBondContact O-N 3.39Å; N546-L549 PolarHBondContact O-N 3.38Å | ||
| 547 | E | 36.9 | Very low | 35.4 | Very low | 172 Ų | 172 | 131 Ų | 131 | 80% | 0.804 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -51.6 | -16.2 | 164.7 | -153.8 | 93.7 | -157.8 | 0 | 0 | 113.2 | L549 | E547-L549 VanDerWaalsContact C-N 3.33Å; E547-L549 PolarHBondContact O-N 2.8Å |
| 548 | E | 39 | Very low | 34.2 | Very low | 156 Ų | 156 | 133.8 Ų | 133.8 | 73% | 0.729 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -75.6 | -15.5 | -179.3 | -156.3 | 170.8 | -166.5 | 0 | 0 | 113.9 | N546 | N546-E548 HydrophobicContact CB-CB 4.46Å; N546-E548 PolarHBondContact O-N 3.39Å |
| 549 | L | 32.2 | Very low | 33.3 | Very low | 99 Ų | 99 | 134 Ų | 134 | 52% | 0.518 | 71% | 0.707 | S | S | . | * | G | 310 helix | trans | -86.2 | -16.5 | 178.3 | -119.1 | 89.1 | 0 | 0 | 0 | 114.1 | N546 E547 T552 Y553 | N546-L549 PolarHBondContact O-N 3.38Å; E547-L549 VanDerWaalsContact C-N 3.33Å; E547-L549 PolarHBondContact O-N 2.8Å; L549-T552 PolarHBondContact O-OG1 2.65Å; L549-T552 VanDerWaalsContact O-OG1 3.13Å; L549-Y553 HydrophobicContact CD2-CE2 4.28Å; L549-Y553 WeakPolarHBondContact O-CD2 3.44Å |
| 550 | I | 28.9 | Very low | 32.3 | Very low | 130 Ų | 130 | 135 Ų | 135 | 67% | 0.667 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | -26.5 | -176.7 | -64.1 | 177.6 | 0 | 0 | 0 | 111.4 | ||
| 551 | E | 34.6 | Very low | 31.4 | Very low | 159 Ų | 159 | 135.2 Ų | 135.2 | 74% | 0.743 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -20.5 | 176.9 | -70 | -168.8 | 160 | 0 | 0 | 113.7 | ||
| 552 | T | 33.6 | Very low | 30.9 | Very low | 87 Ų | 87 | 133.9 Ų | 133.9 | 53% | 0.534 | 71% | 0.712 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.8 | -25.1 | 178.1 | 44.9 | 0 | 0 | 0 | 0 | 113.2 | L549 | L549-T552 PolarHBondContact O-OG1 2.65Å; L549-T552 VanDerWaalsContact O-OG1 3.13Å |
| 553 | Y | 26.8 | Very low | 30.4 | Very low | 185 Ų | 185 | 133.1 Ų | 133.1 | 73% | 0.725 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | -7.9 | 177.2 | -82.7 | -79.7 | 0 | 0 | 0 | 114.6 | L549 | L549-Y553 HydrophobicContact CD2-CE2 4.28Å; L549-Y553 WeakPolarHBondContact O-CD2 3.44Å |
| 554 | A | 32.6 | Very low | 29.7 | Very low | 77 Ų | 77 | 135 Ų | 135 | 64% | 0.636 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -8.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 555 | N | 31.2 | Very low | 29 | Very low | 147 Ų | 147 | 131.4 Ų | 131.4 | 79% | 0.786 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -133 | 35.2 | -171 | -75.2 | -40.3 | 0 | 0 | 0 | 115 | ||
| 556 | S | 29.1 | Very low | 28.6 | Very low | 93 Ų | 93 | 130.1 Ų | 130.1 | 65% | 0.65 | 71% | 0.71 | S | S | * | * | trans | -129 | 78.7 | 165.5 | 44.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 557 | D | 24.9 | Very low | 28.2 | Very low | 160 Ų | 160 | 129.9 Ų | 129.9 | 86% | 0.856 | 72% | 0.717 | S | S | * | * | trans | -72.4 | 155.6 | 150 | -75.8 | -39.3 | 0 | 0 | 0 | 108.8 | ||||
| 558 | E | 28.3 | Very low | 27.5 | Very low | 173 Ų | 173 | 126.4 Ų | 126.4 | 81% | 0.808 | 71% | 0.712 | S | S | * | * | trans | 101.4 | 105.3 | 170.2 | -55.2 | -169.8 | 171.9 | 0 | 0 | 117.1 | ||||
| 559 | D | 27.9 | Very low | 26.7 | Very low | 134 Ų | 134 | 124.2 Ų | 124.2 | 72% | 0.717 | 71% | 0.714 | S | S | * | * | 92.7 | 102.9 | 127.7 | -61 | -6.5 | 0 | 0 | 0 | 120.9 | |||||
| 560 | D | 26.1 | Very low | 26.4 | Very low | 131 Ų | 131 | 128.2 Ų | 128.2 | 70% | 0.701 | 74% | 0.735 | S | S | * | * | 67.7 | 108.2 | 122.1 | -83.4 | -29 | 0 | 0 | 0 | 121 | |||||
| 561 | N | 23.4 | Very low | 26.1 | Very low | 139 Ų | 139 | 126.4 Ų | 126.4 | 74% | 0.743 | 73% | 0.734 | S | S | * | * | 53.1 | 111.2 | 117.7 | -77.2 | -43.1 | 0 | 0 | 0 | 118.9 | |||||
| 562 | S | 23.5 | Very low | 25.6 | Very low | 106 Ų | 106 | 125.8 Ų | 125.8 | 74% | 0.741 | 74% | 0.735 | S | S | * | * | 117.1 | 133 | 117.9 | 76.9 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 563 | S | 22.1 | Very low | 25.4 | Very low | 105 Ų | 105 | 130 Ų | 130 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | trans | 75.4 | 109.5 | 151.6 | 78.1 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 564 | M | 23.6 | Very low | 25.2 | Very low | 169 Ų | 169 | 129.8 Ų | 129.8 | 83% | 0.833 | 76% | 0.76 | S | S | * | * | 162.4 | 136.1 | 95.8 | -88.5 | -130 | 77.8 | 0 | 0 | 111.8 | |||||
| 565 | S | 20.7 | Very low | 24.7 | Very low | 93 Ų | 93 | 131.4 Ų | 131.4 | 65% | 0.65 | 77% | 0.767 | S | S | * | * | trans | -76.4 | 145 | 168.4 | 50.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 566 | S | 23.9 | Very low | 24.4 | Very low | 108 Ų | 108 | 133.8 Ų | 133.8 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | trans | 165.8 | 112.1 | 144 | 39.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 567 | S | 22.5 | Very low | 24.2 | Very low | 104 Ų | 104 | 137.4 Ų | 137.4 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | 98 | 145.5 | 73.1 | 71.4 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 568 | S | 22.9 | Very low | 24.1 | Very low | 99 Ų | 99 | 137.5 Ų | 137.5 | 69% | 0.692 | 78% | 0.781 | S | S | * | * | trans | 66.1 | 100.1 | 157.8 | 54.4 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 569 | S | 21 | Very low | 23.8 | Very low | 110 Ų | 110 | 137.7 Ų | 137.7 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | 78.3 | 106 | 81.7 | 68.1 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 570 | L | 27 | Very low | 23.7 | Very low | 184 Ų | 184 | 138.9 Ų | 138.9 | 96% | 0.963 | 79% | 0.787 | S | S | * | * | trans | -139.3 | 131.7 | 158.9 | -87.6 | 166 | 0 | 0 | 0 | 109.6 | ||||
| 571 | S | 22.2 | Very low | 23.4 | Very low | 92 Ų | 92 | 137.4 Ų | 137.4 | 64% | 0.643 | 79% | 0.787 | S | S | * | * | trans | -93.9 | 156.3 | -174.7 | 49 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 572 | N | 23.9 | Very low | 23.5 | Very low | 145 Ų | 145 | 137.1 Ų | 137.1 | 78% | 0.775 | 79% | 0.791 | S | S | * | * | trans | 63.9 | 114.6 | 150.3 | -61.6 | -7.7 | 0 | 0 | 0 | 118.5 | ||||
| 573 | D | 29.9 | Very low | 23.6 | Very low | 175 Ų | 175 | 138.8 Ų | 138.8 | 94% | 0.936 | 79% | 0.79 | S | S | * | * | -150.2 | 119.3 | 126.5 | -96.3 | -29.4 | 0 | 0 | 0 | 110.1 | |||||
| 574 | E | 21.9 | Very low | 23.7 | Very low | 181 Ų | 181 | 138.4 Ų | 138.4 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | trans | -77.5 | 161.5 | 170.9 | -78 | -178.7 | 137 | 0 | 0 | 111.1 | ||||
| 575 | S | 23.4 | Very low | 23.8 | Very low | 112 Ų | 112 | 140.3 Ų | 140.3 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | trans | 82.6 | 93.5 | 151.6 | 76.9 | 0 | 0 | 0 | 0 | 118 | ||||
| 576 | K | 25 | Very low | 24 | Very low | 197 Ų | 197 | 144.8 Ų | 144.8 | 86% | 0.857 | 80% | 0.799 | S | S | * | * | trans | -179.7 | 85.2 | 135.6 | -100.2 | 172.1 | -172 | 179.4 | 0 | 109 | ||||
| 577 | I | 24.4 | Very low | 24 | Very low | 169 Ų | 169 | 148.5 Ų | 148.5 | 87% | 0.867 | 80% | 0.804 | S | S | * | * | trans | -152 | 90 | 145.2 | -71.8 | 109 | 0 | 0 | 0 | 106 | ||||
| 578 | N | 21.5 | Very low | 24.2 | Very low | 162 Ų | 162 | 153.8 Ų | 153.8 | 87% | 0.866 | 81% | 0.809 | S | S | * | * | trans | -123.3 | 144 | 152.6 | -103.1 | -18.7 | 0 | 0 | 0 | 105.3 | ||||
| 579 | E | 23.5 | Very low | 24.3 | Very low | 177 Ų | 177 | 154 Ų | 154 | 83% | 0.827 | 81% | 0.809 | S | S | * | * | trans | 88.5 | 75.9 | -172.7 | -57.5 | -172.7 | 163.3 | 0 | 0 | 116.3 | ||||
| 580 | L | 24.8 | Very low | 24.8 | Very low | 158 Ų | 158 | 154.5 Ų | 154.5 | 83% | 0.827 | 81% | 0.809 | S | S | * | * | trans | -155.5 | 67.2 | 136 | -106.5 | 136.5 | 0 | 0 | 0 | 109.1 | I583 | L580-I583 HydrophobicContact CD2-CD1 4.43Š| ||
| 581 | S | 20.9 | Very low | 24.9 | Very low | 100 Ų | 100 | 151.9 Ų | 151.9 | 70% | 0.699 | 80% | 0.801 | S | S | * | * | trans | -69.1 | 137.7 | 162.1 | 49.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 582 | T | 25.5 | Very low | 25.3 | Very low | 133 Ų | 133 | 154.5 Ų | 154.5 | 82% | 0.816 | 81% | 0.806 | S | S | * | * | trans | 66.8 | 75.4 | 154.9 | 43.6 | 0 | 0 | 0 | 0 | 118 | ||||
| 583 | I | 24.3 | Very low | 25.5 | Very low | 142 Ų | 142 | 153.7 Ų | 153.7 | 73% | 0.728 | 80% | 0.801 | S | S | * | * | trans | -117.1 | 91.4 | 149.6 | -61.8 | 178.8 | 0 | 0 | 0 | 109.4 | L580 | L580-I583 HydrophobicContact CD2-CD1 4.43Š| ||
| 584 | S | 24.4 | Very low | 25.7 | Very low | 96 Ų | 96 | 151.5 Ų | 151.5 | 67% | 0.671 | 79% | 0.789 | S | S | * | * | trans | 40.9 | 114.5 | 135.1 | -151.7 | 0 | 0 | 0 | 0 | 119.8 | K586 | S584-K586 PolarHBondContact O-N 3Š| ||
| 585 | K | 26 | Very low | 26.4 | Very low | 209 Ų | 209 | 149.4 Ų | 149.4 | 91% | 0.909 | 78% | 0.783 | S | S | * | * | trans | -27.3 | 100.7 | 155.7 | -62.8 | 171.3 | 178.6 | 176.1 | 0 | 112.6 | ||||
| 586 | K | 24.7 | Very low | 27.1 | Very low | 187 Ų | 187 | 147.8 Ų | 147.8 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | trans | -93 | 124 | 167.6 | -81.5 | -175.9 | 177.7 | 178.4 | 0 | 110.1 | S584 Y588 | S584-K586 PolarHBondContact O-N 3Å; K586-Y588 PolarHBondContact O-N 3.29Å | ||
| 587 | H | 24.2 | Very low | 27.9 | Very low | 187 Ų | 187 | 144.6 Ų | 144.6 | 87% | 0.866 | 77% | 0.771 | S | S | * | * | trans | -43.8 | 115.6 | 179.2 | -75.8 | -60.9 | 0 | 0 | 0 | 113.7 | ||||
| 588 | Y | 25.9 | Very low | 29.7 | Very low | 214 Ų | 214 | 138.8 Ų | 138.8 | 84% | 0.839 | 75% | 0.753 | S | S | * | * | trans | -68.9 | 131.7 | 152.3 | -69.1 | -82 | 0 | 0 | 0 | 107.8 | K586 | K586-Y588 PolarHBondContact O-N 3.29Š| ||
| 589 | P | 26.6 | Very low | 31 | Very low | 105 Ų | 105 | 136.9 Ų | 136.9 | 68% | 0.682 | 74% | 0.739 | S | S | * | * | trans | -61.8 | 140.7 | 174.3 | 28.1 | -31.9 | 0 | 0 | 0 | 107.9 | T591 | P589-T591 PolarHBondContact O-N 3.29Š| ||
| 590 | P | 30.9 | Very low | 32.4 | Very low | 119 Ų | 119 | 131 Ų | 131 | 77% | 0.773 | 72% | 0.721 | S | S | * | * | trans | -63.7 | 114.2 | -172.3 | 26.1 | -31.7 | 0 | 0 | 0 | 108.6 | I592 | P590-I592 PolarHBondContact O-N 3.08Š| ||
| 591 | T | 29.8 | Very low | 34.2 | Very low | 129 Ų | 129 | 124.9 Ų | 124.9 | 79% | 0.791 | 70% | 0.696 | S | S | * | * | trans | -56.7 | 109.5 | 165.8 | -42.7 | 0 | 0 | 0 | 0 | 106.3 | P589 L593 | P589-T591 PolarHBondContact O-N 3.29Å; T591-L593 PolarHBondContact O-N 2.72Å | ||
| 592 | I | 30.1 | Very low | 36.1 | Very low | 147 Ų | 147 | 124.2 Ų | 124.2 | 75% | 0.754 | 68% | 0.683 | S | S | * | * | trans | -65 | 96.5 | 173.4 | -61.7 | 173.8 | 0 | 0 | 0 | 106.1 | P590 L594 | P590-I592 PolarHBondContact O-N 3.08Å; I592-L594 PolarHBondContact O-N 2.91Å | ||
| 593 | L | 28.7 | Very low | 37.8 | Very low | 129 Ų | 129 | 121.5 Ų | 121.5 | 68% | 0.675 | 66% | 0.664 | S | S | * | * | trans | -66.8 | 101.8 | 176.5 | -140.7 | 150.3 | 0 | 0 | 0 | 106.2 | T591 D595 | T591-L593 PolarHBondContact O-N 2.72Å; L593-D595 HydrophobicContact CD2-CB 3.85Å; L593-D595 WeakPolarHBondContact CD2-OD2 3.32Å; L593-D595 PolarHBondContact O-N 2.77Å | ||
| 594 | L | 33.9 | Very low | 39.7 | Very low | 128 Ų | 128 | 116.4 Ų | 116.4 | 67% | 0.67 | 64% | 0.643 | S | S | * | * | trans | -75.2 | 64.2 | 175.9 | -83.8 | 162.2 | 0 | 0 | 0 | 109.6 | I592 T596 A604 | I592-L594 PolarHBondContact O-N 2.91Å; L594-T596 PolarHBondContact O-N 3.24Å; L594-T596 VanDerWaalsContact O-N 3.12Å; L594-A604 HydrophobicContact CD2-CB 4.28Å | ||
| 595 | D | 35.8 | Very low | 41.4 | Very low | 138 Ų | 138 | 113.9 Ų | 113.9 | 74% | 0.738 | 63% | 0.628 | S | S | * | * | trans | -84.5 | 63.6 | 171 | -104.6 | 3.2 | 0 | 0 | 0 | 109.6 | L593 | L593-D595 HydrophobicContact CD2-CB 3.85Å; L593-D595 WeakPolarHBondContact CD2-OD2 3.32Å; L593-D595 PolarHBondContact O-N 2.77Å | ||
| 596 | T | 38.7 | Very low | 43.3 | Very low | 77 Ų | 77 | 111.6 Ų | 111.6 | 47% | 0.472 | 61% | 0.614 | S | S | . | * | trans | -142.9 | 100 | 163.4 | 56.9 | 0 | 0 | 0 | 0 | 111.2 | L594 G598 | L594-T596 PolarHBondContact O-N 3.24Å; L594-T596 VanDerWaalsContact O-N 3.12Å; T596-G598 PolarHBondContact O-N 3Å | ||
| 597 | S | 40.5 | Very low | 45.3 | Very low | 131 Ų | 131 | 110.7 Ų | 110.7 | 92% | 0.916 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62 | 128.2 | 163.7 | 57.4 | 0 | 0 | 0 | 0 | 109.8 | ||
| 598 | G | 62.3 | Low | 47.4 | Very low | 47 Ų | 47 | 105.6 Ų | 105.6 | 49% | 0.485 | 59% | 0.592 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 120.3 | -150.4 | 169 | 0 | 0 | 0 | 0 | 0 | 115.4 | T596 A600 G601 I602 | T596-G598 PolarHBondContact O-N 3Å; G598-A600 PolarHBondContact O-N 3.39Å; G598-G601 PolarHBondContact O-N 3.3Å; G598-G601 VanDerWaalsContact O-N 3.16Å; G598-I602 PolarHBondContact O-N 3.4Å |
| 599 | Q | 50.2 | Low | 49.1 | Very low | 121 Ų | 121 | 104.7 Ų | 104.7 | 57% | 0.565 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -61.6 | -28.2 | -171.1 | -168.4 | 65 | 14.1 | 0 | 0 | 113.6 | I602 N603 | Q599-I602 PolarHBondContact O-N 3Å; Q599-N603 PolarHBondContact O-N 3.22Å; Q599-N603 VanDerWaalsContact O-N 3.07Å |
| 600 | A | 52.8 | Low | 51.1 | Low | 55 Ų | 55 | 107.5 Ų | 107.5 | 46% | 0.455 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -64.6 | -43.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | G598 I602 N603 A604 | G598-A600 PolarHBondContact O-N 3.39Å; A600-I602 VanDerWaalsContact C-N 3.32Å; A600-I602 PolarHBondContact O-N 3.1Å; A600-N603 PolarHBondContact O-N 3.43Å; A600-A604 PolarHBondContact O-N 3.23Å |
| 601 | G | 61.4 | Low | 53 | Low | 28 Ų | 28 | 105.2 Ų | 105.2 | 29% | 0.289 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -62.7 | -36.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113 | G598 A604 A605 | G598-G601 PolarHBondContact O-N 3.3Å; G598-G601 VanDerWaalsContact O-N 3.16Å; G601-A604 PolarHBondContact O-N 3.31Å; G601-A605 WeakPolarHBondContact O-CB 3.3Å; G601-A605 PolarHBondContact O-N 3.33Å |
| 602 | I | 61.5 | Low | 54.9 | Low | 86 Ų | 86 | 104 Ų | 104 | 44% | 0.441 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.6 | -41.7 | 174.7 | -63.1 | 173.8 | 0 | 0 | 0 | 110.9 | G598 Q599 A600 A605 R606 | G598-I602 PolarHBondContact O-N 3.4Å; Q599-I602 PolarHBondContact O-N 3Å; A600-I602 VanDerWaalsContact C-N 3.32Å; A600-I602 PolarHBondContact O-N 3.1Å; I602-A605 PolarHBondContact O-N 2.88Å; I602-R606 PolarHBondContact O-N 3.46Å |
| 603 | N | 61.3 | Low | 56.9 | Low | 77 Ų | 77 | 99.2 Ų | 99.2 | 41% | 0.412 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -69.6 | -38.8 | 178.1 | -76.2 | -15.8 | 0 | 0 | 0 | 112.4 | Q599 A600 R606 K607 | Q599-N603 PolarHBondContact O-N 3.22Å; Q599-N603 VanDerWaalsContact O-N 3.07Å; A600-N603 PolarHBondContact O-N 3.43Å; N603-R606 PolarHBondContact O-N 2.86Å; N603-K607 PolarHBondContact O-N 3.19Å |
| 604 | A | 64.2 | Low | 59.2 | Low | 35 Ų | 35 | 100.1 Ų | 100.1 | 29% | 0.289 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.6 | -46.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | L594 A600 G601 R606 K607 T608 | L594-A604 HydrophobicContact CD2-CB 4.28Å; A600-A604 PolarHBondContact O-N 3.23Å; G601-A604 PolarHBondContact O-N 3.31Å; A604-R606 PolarHBondContact O-N 3.45Å; A604-K607 PolarHBondContact O-N 3.26Å; A604-T608 WeakPolarHBondContact O-CG2 3.5Å; A604-T608 PolarHBondContact O-N 3.02Å; A604-T608 PolarHBondContact O-OG1 2.87Å |
| 605 | A | 61.2 | Low | 61.1 | Low | 43 Ų | 43 | 98.7 Ų | 98.7 | 36% | 0.355 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59 | -46 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | G601 I602 K607 T608 W609 | G601-A605 WeakPolarHBondContact O-CB 3.3Å; G601-A605 PolarHBondContact O-N 3.33Å; I602-A605 PolarHBondContact O-N 2.88Å; A605-K607 VanDerWaalsContact C-N 3.3Å; A605-K607 PolarHBondContact O-N 3.31Å; A605-T608 WeakPolarHBondContact CA-OG1 3.17Å; A605-T608 PolarHBondContact O-N 3.39Å; A605-T608 PolarHBondContact O-OG1 3.41Å; A605-W609 WeakPolarHBondContact O-CB 3.26Å; A605-W609 PolarHBondContact O-N 3.41Å |
| 606 | R | 64.1 | Low | 62.7 | Low | 161 Ų | 161 | 97.8 Ų | 97.8 | 61% | 0.608 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -59.3 | -39.2 | 176.3 | -83.6 | -175.7 | -170.4 | 163.9 | 2.7 | 113.2 | I602 N603 A604 W609 K610 | I602-R606 PolarHBondContact O-N 3.46Å; N603-R606 PolarHBondContact O-N 2.86Å; A604-R606 PolarHBondContact O-N 3.45Å; R606-W609 PolarHBondContact O-N 2.74Å; R606-K610 WeakPolarHBondContact O-CG 3.5Å; R606-K610 PolarHBondContact O-N 3.2Å |
| 607 | K | 66.9 | Low | 64.5 | Low | 168 Ų | 168 | 103.4 Ų | 103.4 | 73% | 0.73 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.9 | -44.1 | 176.5 | -77.5 | -173.3 | 176.7 | -175.8 | 0 | 111.5 | N603 A604 A605 W609 K610 S611 | N603-K607 PolarHBondContact O-N 3.19Å; A604-K607 PolarHBondContact O-N 3.26Å; A605-K607 VanDerWaalsContact C-N 3.3Å; A605-K607 PolarHBondContact O-N 3.31Å; K607-W609 VanDerWaalsContact C-N 3.35Å; K607-W609 PolarHBondContact O-N 2.95Å; K607-K610 PolarHBondContact O-N 2.93Å; K607-S611 PolarHBondContact O-N 2.86Å |
| 608 | T | 68.4 | Low | 66.4 | Low | 80 Ų | 80 | 102.4 Ų | 102.4 | 49% | 0.491 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.2 | -40.1 | 177.1 | 59.3 | 0 | 0 | 0 | 0 | 111.7 | A604 A605 S611 L612 | A604-T608 WeakPolarHBondContact O-CG2 3.5Å; A604-T608 PolarHBondContact O-N 3.02Å; A604-T608 PolarHBondContact O-OG1 2.87Å; A605-T608 WeakPolarHBondContact CA-OG1 3.17Å; A605-T608 PolarHBondContact O-N 3.39Å; A605-T608 PolarHBondContact O-OG1 3.41Å; T608-S611 WeakPolarHBondContact O-CB 3.47Å; T608-S611 PolarHBondContact O-N 2.67Å; T608-L612 WeakPolarHBondContact O-CB 3.41Å; T608-L612 PolarHBondContact O-N 3.04Å |
| 609 | W | 61.3 | Low | 67 | Low | 194 Ų | 194 | 106.6 Ų | 106.6 | 74% | 0.735 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.7 | -41.9 | 175.9 | -84.8 | 89.9 | 0 | 0 | 0 | 113.1 | A605 R606 K607 S611 L612 A613 | A605-W609 WeakPolarHBondContact O-CB 3.26Å; A605-W609 PolarHBondContact O-N 3.41Å; R606-W609 PolarHBondContact O-N 2.74Å; K607-W609 VanDerWaalsContact C-N 3.35Å; K607-W609 PolarHBondContact O-N 2.95Å; W609-S611 VanDerWaalsContact C-N 3.33Å; W609-S611 PolarHBondContact O-N 3.46Å; W609-L612 PolarHBondContact O-N 2.89Å; W609-A613 WeakPolarHBondContact O-CB 3.25Å; W609-A613 PolarHBondContact O-N 3.4Å |
| 610 | K | 70.2 | Confident | 68.2 | Low | 165 Ų | 165 | 106.4 Ų | 106.4 | 72% | 0.717 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.3 | -40.5 | 173.5 | -77.6 | -173.2 | 175.9 | -169.7 | 0 | 112 | R606 K607 A613 K614 | R606-K610 WeakPolarHBondContact O-CG 3.5Å; R606-K610 PolarHBondContact O-N 3.2Å; K607-K610 PolarHBondContact O-N 2.93Å; K610-A613 PolarHBondContact O-N 3.46Å; K610-K614 PolarHBondContact O-N 2.85Å |
| 611 | S | 69.7 | Low | 69.5 | Low | 71 Ų | 71 | 111 Ų | 111 | 50% | 0.497 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.5 | -44.7 | 175.3 | -179.2 | 0 | 0 | 0 | 0 | 112.2 | K607 T608 W609 K614 M615 | K607-S611 PolarHBondContact O-N 2.86Å; T608-S611 WeakPolarHBondContact O-CB 3.47Å; T608-S611 PolarHBondContact O-N 2.67Å; W609-S611 VanDerWaalsContact C-N 3.33Å; W609-S611 PolarHBondContact O-N 3.46Å; S611-K614 PolarHBondContact O-N 3.24Å; S611-M615 PolarHBondContact O-N 3.17Å |
| 612 | L | 70.3 | Confident | 70.4 | Confident | 103 Ų | 103 | 112.2 Ų | 112.2 | 54% | 0.539 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.5 | -42.5 | 178.3 | -113.4 | 138.6 | 0 | 0 | 0 | 111.9 | T608 W609 K614 M615 Q616 | T608-L612 WeakPolarHBondContact O-CB 3.41Å; T608-L612 PolarHBondContact O-N 3.04Å; W609-L612 PolarHBondContact O-N 2.89Å; L612-K614 VanDerWaalsContact C-N 3.33Å; L612-K614 PolarHBondContact O-N 2.84Å; L612-M615 HydrophobicContact CG-CE 4.26Å; L612-M615 PolarHBondContact O-N 2.86Å; L612-Q616 WeakPolarHBondContact O-CB 3.5Å; L612-Q616 PolarHBondContact O-N 3.19Å |
| 613 | A | 72.5 | Confident | 71.3 | Confident | 46 Ų | 46 | 114.4 Ų | 114.4 | 38% | 0.38 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63 | -39.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | W609 K610 Q616 R617 | W609-A613 WeakPolarHBondContact O-CB 3.25Å; W609-A613 PolarHBondContact O-N 3.4Å; K610-A613 PolarHBondContact O-N 3.46Å; A613-Q616 PolarHBondContact O-N 3.49Å; A613-R617 WeakPolarHBondContact O-CG 3.48Å; A613-R617 PolarHBondContact O-N 3.19Å |
| 614 | K | 76.5 | Confident | 72.1 | Confident | 148 Ų | 148 | 115.8 Ų | 115.8 | 64% | 0.643 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -64.2 | -44.3 | 174.9 | -168.7 | 175.9 | -178.9 | 178.7 | 0 | 111.7 | K610 S611 L612 Q616 R617 L618 | K610-K614 PolarHBondContact O-N 2.85Å; S611-K614 PolarHBondContact O-N 3.24Å; L612-K614 VanDerWaalsContact C-N 3.33Å; L612-K614 PolarHBondContact O-N 2.84Å; K614-Q616 VanDerWaalsContact C-N 3.34Å; K614-Q616 PolarHBondContact O-N 2.93Å; K614-R617 PolarHBondContact O-N 2.93Å; K614-L618 WeakPolarHBondContact O-CG 3.5Å; K614-L618 PolarHBondContact O-N 3.33Å |
| 615 | M | 72.4 | Confident | 72.8 | Confident | 99 Ų | 99 | 119.4 Ų | 119.4 | 49% | 0.488 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -59.8 | -43.3 | 173.5 | -92.2 | -164.6 | -57.2 | 0 | 0 | 112.2 | S611 L612 R617 L618 Q619 | S611-M615 PolarHBondContact O-N 3.17Å; L612-M615 HydrophobicContact CG-CE 4.26Å; L612-M615 PolarHBondContact O-N 2.86Å; M615-R617 VanDerWaalsContact C-N 3.35Å; M615-R617 PolarHBondContact O-N 3.01Å; M615-L618 PolarHBondContact O-N 2.82Å; M615-Q619 WeakPolarHBondContact O-CG 3.26Å; M615-Q619 PolarHBondContact O-N 3.36Å |
| 616 | Q | 71.3 | Confident | 73.6 | Confident | 119 Ų | 119 | 121.8 Ų | 121.8 | 56% | 0.556 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -66.3 | -38 | -177.9 | -156.8 | 175.1 | 16.6 | 0 | 0 | 111.8 | L612 A613 K614 Q619 Q620 | L612-Q616 WeakPolarHBondContact O-CB 3.5Å; L612-Q616 PolarHBondContact O-N 3.19Å; A613-Q616 PolarHBondContact O-N 3.49Å; K614-Q616 VanDerWaalsContact C-N 3.34Å; K614-Q616 PolarHBondContact O-N 2.93Å; Q616-Q619 PolarHBondContact O-N 3.18Å; Q616-Q620 WeakPolarHBondContact O-CG 3.45Å; Q616-Q620 PolarHBondContact O-N 3.35Å |
| 617 | R | 75.8 | Confident | 74.1 | Confident | 195 Ų | 195 | 118.7 Ų | 118.7 | 74% | 0.736 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -63.4 | -43.4 | 171.6 | -75.5 | -179.1 | 178.8 | -179.8 | -3.2 | 112.1 | A613 K614 M615 Q620 K621 | A613-R617 WeakPolarHBondContact O-CG 3.48Å; A613-R617 PolarHBondContact O-N 3.19Å; K614-R617 PolarHBondContact O-N 2.93Å; M615-R617 VanDerWaalsContact C-N 3.35Å; M615-R617 PolarHBondContact O-N 3.01Å; R617-Q620 PolarHBondContact O-N 3.18Å; R617-K621 WeakPolarHBondContact O-CB 3.25Å; R617-K621 PolarHBondContact O-N 3.41Å |
| 618 | L | 80.6 | Confident | 74.4 | Confident | 109 Ų | 109 | 116.3 Ų | 116.3 | 57% | 0.571 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -63 | -41.1 | 176.3 | -74 | 169.2 | 0 | 0 | 0 | 112 | K614 M615 K621 A622 | K614-L618 WeakPolarHBondContact O-CG 3.5Å; K614-L618 PolarHBondContact O-N 3.33Å; M615-L618 PolarHBondContact O-N 2.82Å; L618-K621 PolarHBondContact O-N 2.8Å; L618-A622 WeakPolarHBondContact O-CB 3.35Å; L618-A622 PolarHBondContact O-N 2.75Å |
| 619 | Q | 75.5 | Confident | 74.2 | Confident | 135 Ų | 135 | 117.9 Ų | 117.9 | 63% | 0.631 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -64.5 | -39.7 | 175.2 | -75.6 | -179.4 | -17.3 | 0 | 0 | 112.5 | M615 Q616 K623 | M615-Q619 WeakPolarHBondContact O-CG 3.26Å; M615-Q619 PolarHBondContact O-N 3.36Å; Q616-Q619 PolarHBondContact O-N 3.18Å; Q619-K623 WeakPolarHBondContact O-CB 3.2Å; Q619-K623 PolarHBondContact O-N 3.5Å |
| 620 | Q | 74.6 | Confident | 74.3 | Confident | 117 Ų | 117 | 113.2 Ų | 113.2 | 55% | 0.547 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65 | -43.3 | 174.3 | -77.6 | 178.1 | -12.8 | 0 | 0 | 111.6 | Q616 R617 K623 I624 | Q616-Q620 WeakPolarHBondContact O-CG 3.45Å; Q616-Q620 PolarHBondContact O-N 3.35Å; R617-Q620 PolarHBondContact O-N 3.18Å; Q620-K623 PolarHBondContact O-N 2.9Å; Q620-I624 VanDerWaalsContact O-CG1 3.31Å; Q620-I624 WeakPolarHBondContact O-CG1 3.45Å; Q620-I624 PolarHBondContact O-N 2.87Å |
| 621 | K | 80.5 | Confident | 73.7 | Confident | 151 Ų | 151 | 114.9 Ų | 114.9 | 66% | 0.657 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -62 | -46.1 | 177.4 | -160.5 | 176.2 | -178.1 | -177.7 | 0 | 111.3 | R617 L618 K623 I624 E625 | R617-K621 WeakPolarHBondContact O-CB 3.25Å; R617-K621 PolarHBondContact O-N 3.41Å; L618-K621 PolarHBondContact O-N 2.8Å; K621-K623 VanDerWaalsContact C-N 3.3Å; K621-K623 PolarHBondContact O-N 3.18Å; K621-I624 PolarHBondContact O-N 3.36Å; K621-E625 WeakPolarHBondContact O-CB 3.2Å; K621-E625 PolarHBondContact O-N 3.37Å |
| 622 | A | 80.4 | Confident | 72.8 | Confident | 55 Ų | 55 | 116.5 Ų | 116.5 | 46% | 0.455 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -61.7 | -36.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L618 L626 | L618-A622 WeakPolarHBondContact O-CB 3.35Å; L618-A622 PolarHBondContact O-N 2.75Å; A622-L626 WeakPolarHBondContact O-CB 3.1Å; A622-L626 PolarHBondContact O-N 2.95Å |
| 623 | K | 79.8 | Confident | 72 | Confident | 132 Ų | 132 | 116.2 Ų | 116.2 | 57% | 0.574 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -67.3 | -43 | 175.9 | -171.9 | -177.5 | 175.7 | -167.5 | 0 | 112 | Q619 Q620 K621 E625 L626 E627 | Q619-K623 WeakPolarHBondContact O-CB 3.2Å; Q619-K623 PolarHBondContact O-N 3.5Å; Q620-K623 PolarHBondContact O-N 2.9Å; K621-K623 VanDerWaalsContact C-N 3.3Å; K621-K623 PolarHBondContact O-N 3.18Å; K623-E625 VanDerWaalsContact C-N 3.33Å; K623-L626 PolarHBondContact O-N 3.37Å; K623-E627 VanDerWaalsContact CE-OE1 3.26Å; K623-E627 WeakPolarHBondContact CE-OE1 3.45Å; K623-E627 IonicContact NZ-OE1 2.63Å; K623-E627 WeakPolarHBondContact O-CG 3.32Å; K623-E627 PolarHBondContact O-N 3.32Å |
| 624 | I | 78.7 | Confident | 70.7 | Confident | 106 Ų | 106 | 122.3 Ų | 122.3 | 54% | 0.544 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -63.1 | -43.5 | 176.9 | -68.1 | 164.7 | 0 | 0 | 0 | 110 | Q620 K621 L626 E627 E628 | Q620-I624 VanDerWaalsContact O-CG1 3.31Å; Q620-I624 WeakPolarHBondContact O-CG1 3.45Å; Q620-I624 PolarHBondContact O-N 2.87Å; K621-I624 PolarHBondContact O-N 3.36Å; I624-L626 VanDerWaalsContact C-N 3.35Å; I624-L626 PolarHBondContact O-N 2.98Å; I624-E627 PolarHBondContact O-N 2.96Å; I624-E628 WeakPolarHBondContact O-CB 3.48Å; I624-E628 PolarHBondContact O-N 3.28Å |
| 625 | E | 79.4 | Confident | 68.9 | Low | 110 Ų | 110 | 119.1 Ų | 119.1 | 51% | 0.514 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -64.1 | -39.2 | 179 | -160.7 | 167.3 | -158.7 | 0 | 0 | 111.8 | K621 K623 E628 Q629 | K621-E625 WeakPolarHBondContact O-CB 3.2Å; K621-E625 PolarHBondContact O-N 3.37Å; K623-E625 VanDerWaalsContact C-N 3.33Å; E625-E628 PolarHBondContact O-N 3.35Å; E625-Q629 WeakPolarHBondContact O-CG 3.38Å; E625-Q629 PolarHBondContact O-N 3.23Å |
| 626 | L | 77.1 | Confident | 67.1 | Low | 94 Ų | 94 | 121.8 Ų | 121.8 | 49% | 0.492 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -64.7 | -42.9 | 172 | -173.9 | 70.1 | 0 | 0 | 0 | 112.2 | A622 K623 I624 E628 Q629 Q630 | A622-L626 WeakPolarHBondContact O-CB 3.1Å; A622-L626 PolarHBondContact O-N 2.95Å; K623-L626 PolarHBondContact O-N 3.37Å; I624-L626 VanDerWaalsContact C-N 3.35Å; I624-L626 PolarHBondContact O-N 2.98Å; L626-E628 VanDerWaalsContact C-N 3.28Å; L626-E628 PolarHBondContact O-N 3.18Å; L626-Q629 PolarHBondContact O-N 3.26Å; L626-Q630 WeakPolarHBondContact O-CB 3.39Å; L626-Q630 VanDerWaalsContact O-CG 3.28Å; L626-Q630 WeakPolarHBondContact O-CG 3.5Å; L626-Q630 PolarHBondContact O-N 2.66Å |
| 627 | E | 73.8 | Confident | 65 | Low | 96 Ų | 96 | 118.2 Ų | 118.2 | 45% | 0.449 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.7 | -34.9 | 175.7 | -76.7 | 177.6 | -170.3 | 0 | 0 | 111.7 | K623 I624 Q630 R631 | K623-E627 VanDerWaalsContact CE-OE1 3.26Å; K623-E627 WeakPolarHBondContact CE-OE1 3.45Å; K623-E627 IonicContact NZ-OE1 2.63Å; K623-E627 WeakPolarHBondContact O-CG 3.32Å; K623-E627 PolarHBondContact O-N 3.32Å; I624-E627 PolarHBondContact O-N 2.96Å; E627-Q630 PolarHBondContact O-N 2.92Å; E627-R631 WeakPolarHBondContact O-CG 3.28Å; E627-R631 PolarHBondContact O-N 3.4Å |
| 628 | E | 74 | Confident | 62.8 | Low | 117 Ų | 117 | 121.3 Ų | 121.3 | 55% | 0.547 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -73.2 | -41.8 | 177.6 | -162.7 | 168.3 | -156.1 | 0 | 0 | 112.1 | I624 E625 L626 Q630 R631 L632 | I624-E628 WeakPolarHBondContact O-CB 3.48Å; I624-E628 PolarHBondContact O-N 3.28Å; E625-E628 PolarHBondContact O-N 3.35Å; L626-E628 VanDerWaalsContact C-N 3.28Å; L626-E628 PolarHBondContact O-N 3.18Å; E628-Q630 VanDerWaalsContact C-N 3.3Å; E628-Q630 PolarHBondContact O-N 3.08Å; E628-R631 WeakPolarHBondContact O-CB 3.31Å; E628-R631 PolarHBondContact O-N 3.49Å; E628-R631 VanDerWaalsContact O-N 3.11Å; E628-L632 HydrophobicContact CG-CD1 4.38Å; E628-L632 WeakPolarHBondContact O-CG 3.25Å; E628-L632 PolarHBondContact O-N 2.63Å |
| 629 | Q | 64 | Low | 60.3 | Low | 113 Ų | 113 | 120 Ų | 120 | 53% | 0.528 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -59.8 | -40.4 | 170.1 | -74.3 | 178.9 | 2.5 | 0 | 0 | 111.8 | E625 L626 R631 L632 T633 | E625-Q629 WeakPolarHBondContact O-CG 3.38Å; E625-Q629 PolarHBondContact O-N 3.23Å; L626-Q629 PolarHBondContact O-N 3.26Å; Q629-R631 VanDerWaalsContact C-N 3.33Å; Q629-R631 PolarHBondContact O-N 2.67Å; Q629-L632 PolarHBondContact O-N 2.97Å; Q629-T633 WeakPolarHBondContact O-CB 3.3Å; Q629-T633 WeakPolarHBondContact O-CG2 3.49Å; Q629-T633 PolarHBondContact O-N 3.49Å; Q629-T633 PolarHBondContact O-OG1 2.9Å |
| 630 | Q | 64.2 | Low | 58 | Low | 97 Ų | 97 | 119.9 Ų | 119.9 | 45% | 0.453 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -66.5 | -33.6 | 174.6 | -75.3 | 179.8 | 6.9 | 0 | 0 | 112.5 | L626 E627 E628 T633 K634 | L626-Q630 WeakPolarHBondContact O-CB 3.39Å; L626-Q630 VanDerWaalsContact O-CG 3.28Å; L626-Q630 WeakPolarHBondContact O-CG 3.5Å; L626-Q630 PolarHBondContact O-N 2.66Å; E627-Q630 PolarHBondContact O-N 2.92Å; E628-Q630 VanDerWaalsContact C-N 3.3Å; E628-Q630 PolarHBondContact O-N 3.08Å; Q630-T633 WeakPolarHBondContact CA-OG1 3.38Å; Q630-T633 PolarHBondContact O-OG1 2.97Å; Q630-T633 VanDerWaalsContact O-OG1 3.11Å; Q630-K634 WeakPolarHBondContact O-CB 3.09Å; Q630-K634 VanDerWaalsContact O-CG 3.27Å; Q630-K634 WeakPolarHBondContact O-CG 3.17Å; Q630-K634 PolarHBondContact O-N 2.58Å; Q630-K634 VanDerWaalsContact O-N 3.17Å |
| 631 | R | 56.2 | Low | 55.7 | Low | 199 Ų | 199 | 120.8 Ų | 120.8 | 75% | 0.751 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -68.5 | -46.4 | 172.8 | -83.1 | -176 | 173.7 | -160.4 | -0.1 | 111.7 | E627 E628 Q629 K634 S635 | E627-R631 WeakPolarHBondContact O-CG 3.28Å; E627-R631 PolarHBondContact O-N 3.4Å; E628-R631 WeakPolarHBondContact O-CB 3.31Å; E628-R631 PolarHBondContact O-N 3.49Å; E628-R631 VanDerWaalsContact O-N 3.11Å; Q629-R631 VanDerWaalsContact C-N 3.33Å; Q629-R631 PolarHBondContact O-N 2.67Å; R631-K634 PolarHBondContact O-N 3.1Å; R631-S635 WeakPolarHBondContact O-CB 3.15Å; R631-S635 PolarHBondContact O-N 2.89Å; R631-S635 PolarHBondContact O-OG 3.39Å |
| 632 | L | 52.6 | Low | 53.1 | Low | 105 Ų | 105 | 118.5 Ų | 118.5 | 55% | 0.55 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -63.1 | -42.4 | 179.9 | -75.2 | 160.6 | 0 | 0 | 0 | 111.8 | E628 Q629 S635 I636 | E628-L632 HydrophobicContact CG-CD1 4.38Å; E628-L632 WeakPolarHBondContact O-CG 3.25Å; E628-L632 PolarHBondContact O-N 2.63Å; Q629-L632 PolarHBondContact O-N 2.97Å; L632-S635 PolarHBondContact O-N 3.29Å; L632-S635 PolarHBondContact O-OG 2.84Å; L632-S635 VanDerWaalsContact O-OG 3.12Å; L632-I636 WeakPolarHBondContact O-CG1 3.15Å; L632-I636 PolarHBondContact O-N 3.24Å |
| 633 | T | 51.9 | Low | 50.6 | Low | 98 Ų | 98 | 122.2 Ų | 122.2 | 60% | 0.601 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -66.5 | -35.4 | 175.5 | 47 | 0 | 0 | 0 | 0 | 112.6 | Q629 Q630 | Q629-T633 WeakPolarHBondContact O-CB 3.3Å; Q629-T633 WeakPolarHBondContact O-CG2 3.49Å; Q629-T633 PolarHBondContact O-N 3.49Å; Q629-T633 PolarHBondContact O-OG1 2.9Å; Q630-T633 WeakPolarHBondContact CA-OG1 3.38Å; Q630-T633 PolarHBondContact O-OG1 2.97Å; Q630-T633 VanDerWaalsContact O-OG1 3.11Å |
| 634 | K | 45.8 | Very low | 48.1 | Very low | 174 Ų | 174 | 127 Ų | 127 | 76% | 0.757 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -74.8 | -24.3 | 174.1 | -75.2 | 177.6 | -179.7 | 177.1 | 0 | 114 | Q630 R631 | Q630-K634 WeakPolarHBondContact O-CB 3.09Å; Q630-K634 VanDerWaalsContact O-CG 3.27Å; Q630-K634 WeakPolarHBondContact O-CG 3.17Å; Q630-K634 PolarHBondContact O-N 2.58Å; Q630-K634 VanDerWaalsContact O-N 3.17Å; R631-K634 PolarHBondContact O-N 3.1Å |
| 635 | S | 38.3 | Very low | 45.7 | Very low | 81 Ų | 81 | 128.7 Ų | 128.7 | 57% | 0.566 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | 0.5 | 178.9 | 65 | 0 | 0 | 0 | 0 | 114.2 | R631 L632 G637 | R631-S635 WeakPolarHBondContact O-CB 3.15Å; R631-S635 PolarHBondContact O-N 2.89Å; R631-S635 PolarHBondContact O-OG 3.39Å; L632-S635 PolarHBondContact O-N 3.29Å; L632-S635 PolarHBondContact O-OG 2.84Å; L632-S635 VanDerWaalsContact O-OG 3.12Å; S635-G637 PolarHBondContact O-N 3.3Å |
| 636 | I | 34 | Very low | 43.1 | Very low | 154 Ų | 154 | 132.9 Ų | 132.9 | 79% | 0.79 | 69% | 0.693 | S | S | * | * | trans | -84.3 | 60.1 | 167.5 | -56.2 | 162.2 | 0 | 0 | 0 | 108.4 | L632 | L632-I636 WeakPolarHBondContact O-CG1 3.15Å; L632-I636 PolarHBondContact O-N 3.24Å | ||
| 637 | G | 29.1 | Very low | 40.7 | Very low | 44 Ų | 44 | 136.2 Ų | 136.2 | 45% | 0.454 | 71% | 0.71 | S | S | . | * | trans | -129.1 | 135.6 | 158.2 | 0 | 0 | 0 | 0 | 0 | 104.9 | S635 | S635-G637 PolarHBondContact O-N 3.3Š| ||
| 638 | W | 29.1 | Very low | 38.6 | Very low | 260 Ų | 260 | 138.4 Ų | 138.4 | 99% | 0.985 | 73% | 0.725 | S | S | * | * | S | Bend | trans | 90.8 | 65.3 | -172.2 | -53.7 | 82.4 | 0 | 0 | 0 | 115.3 | V640 | W638-V640 PolarHBondContact O-N 3.06Š|
| 639 | G | 27.4 | Very low | 36.5 | Very low | 81 Ų | 81 | 139.4 Ų | 139.4 | 84% | 0.835 | 73% | 0.734 | S | S | * | * | 55.4 | 66.4 | 125.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 640 | V | 26.4 | Very low | 35.1 | Very low | 133 Ų | 133 | 139.7 Ų | 139.7 | 81% | 0.806 | 74% | 0.739 | S | S | * | * | trans | -140.6 | 107.7 | 151.5 | -178.3 | 0 | 0 | 0 | 0 | 108.2 | W638 S642 | W638-V640 PolarHBondContact O-N 3.06Å; V640-S642 PolarHBondContact O-N 2.81Å; V640-S642 VanDerWaalsContact O-N 3.14Å | ||
| 641 | T | 26.3 | Very low | 33.6 | Very low | 136 Ų | 136 | 141.9 Ų | 141.9 | 83% | 0.834 | 75% | 0.754 | S | S | * | * | trans | -67.6 | 101.6 | 169.6 | 41 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 642 | S | 26.8 | Very low | 32.4 | Very low | 104 Ų | 104 | 138.1 Ų | 138.1 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | trans | -97.8 | 94.9 | 165.9 | -161 | 0 | 0 | 0 | 0 | 109 | V640 R644 | V640-S642 PolarHBondContact O-N 2.81Å; V640-S642 VanDerWaalsContact O-N 3.14Å; S642-R644 PolarHBondContact O-N 2.69Å | ||
| 643 | T | 28.2 | Very low | 31.4 | Very low | 133 Ų | 133 | 139 Ų | 139 | 82% | 0.816 | 75% | 0.752 | S | S | * | * | trans | -67.2 | 104.7 | 160.2 | 38.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 644 | R | 26.6 | Very low | 30.4 | Very low | 231 Ų | 231 | 141.4 Ų | 141.4 | 87% | 0.872 | 76% | 0.761 | S | S | * | * | trans | -153 | 105.4 | 158.1 | -125.8 | 171 | -176.5 | 160.1 | 0.3 | 112.5 | S642 | S642-R644 PolarHBondContact O-N 2.69Š| ||
| 645 | N | 27.6 | Very low | 29.7 | Very low | 143 Ų | 143 | 143.8 Ų | 143.8 | 77% | 0.765 | 77% | 0.765 | S | S | * | * | trans | 1.3 | 118.7 | 159.3 | -69 | -11.3 | 0 | 0 | 0 | 117.5 | L647 | N645-L647 PolarHBondContact O-N 3.49Š| ||
| 646 | M | 24.7 | Very low | 29.3 | Very low | 198 Ų | 198 | 148.4 Ų | 148.4 | 98% | 0.975 | 78% | 0.775 | S | S | * | * | trans | -31.4 | 102.5 | 145.2 | -71.8 | -78.9 | 163.2 | 0 | 0 | 111.2 | ||||
| 647 | L | 28.7 | Very low | 29 | Very low | 164 Ų | 164 | 148 Ų | 148 | 86% | 0.859 | 78% | 0.775 | S | S | * | * | trans | -108.3 | 124.5 | 164.1 | -88.1 | 157.2 | 0 | 0 | 0 | 107.7 | N645 | N645-L647 PolarHBondContact O-N 3.49Š| ||
| 648 | N | 29.4 | Very low | 28.9 | Very low | 142 Ų | 142 | 152.8 Ų | 152.8 | 76% | 0.759 | 79% | 0.79 | S | S | * | * | trans | -46.3 | 138.9 | -171.8 | -83.1 | -36.1 | 0 | 0 | 0 | 114.5 | N650 | N648-N650 PolarHBondContact O-N 2.9Š| ||
| 649 | N | 30.2 | Very low | 28.7 | Very low | 138 Ų | 138 | 149.9 Ų | 149.9 | 74% | 0.738 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.4 | 16.1 | 175.4 | -97.9 | -14.8 | 0 | 0 | 0 | 116.2 | ||
| 650 | N | 32.7 | Very low | 28.6 | Very low | 119 Ų | 119 | 153.1 Ų | 153.1 | 64% | 0.636 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.5 | -9.1 | -174.1 | -75 | -1.8 | 0 | 0 | 0 | 115.1 | N648 | N648-N650 PolarHBondContact O-N 2.9Š|
| 651 | D | 33.2 | Very low | 28.5 | Very low | 142 Ų | 142 | 153.1 Ų | 153.1 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | 3 | -178.8 | -70.5 | -9 | 0 | 0 | 0 | 114.3 | ||
| 652 | I | 30.7 | Very low | 28.3 | Very low | 121 Ų | 121 | 153.6 Ų | 153.6 | 62% | 0.621 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | -18.6 | 177.4 | -64.5 | 176.6 | 0 | 0 | 0 | 111.9 | ||
| 653 | I | 31.8 | Very low | 28.4 | Very low | 124 Ų | 124 | 155.2 Ų | 155.2 | 64% | 0.636 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -82.4 | -25.7 | -175.1 | -64.3 | 177.5 | 0 | 0 | 0 | 112.6 | R655 | I653-R655 PolarHBondContact O-N 3Š|
| 654 | D | 32.2 | Very low | 28.2 | Very low | 147 Ų | 147 | 156.8 Ų | 156.8 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | -0.6 | -172.4 | -85.3 | -6.8 | 0 | 0 | 0 | 116 | ||
| 655 | R | 30.5 | Very low | 28.3 | Very low | 224 Ų | 224 | 153.2 Ų | 153.2 | 85% | 0.845 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | -0.5 | 171.6 | -73.4 | -161 | -141.3 | -174.5 | 6.5 | 115.3 | I653 N657 | I653-R655 PolarHBondContact O-N 3Å; R655-N657 VanDerWaalsContact C-N 3.33Å; R655-N657 PolarHBondContact O-N 3.01Å |
| 656 | F | 29.9 | Very low | 28.4 | Very low | 178 Ų | 178 | 153.9 Ų | 153.9 | 78% | 0.781 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -2.6 | -176 | -112.6 | -80.1 | 0 | 0 | 0 | 115.4 | ||
| 657 | N | 28.6 | Very low | 28.6 | Very low | 147 Ų | 147 | 147.2 Ų | 147.2 | 79% | 0.786 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.8 | 2.6 | -172.8 | -81 | -22.2 | 0 | 0 | 0 | 116.7 | R655 | R655-N657 VanDerWaalsContact C-N 3.33Å; R655-N657 PolarHBondContact O-N 3.01Å |
| 658 | N | 25 | Very low | 28.5 | Very low | 143 Ų | 143 | 146.8 Ų | 146.8 | 77% | 0.765 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -134 | 96.1 | 178.3 | -71.2 | -35.4 | 0 | 0 | 0 | 110.5 | ||
| 659 | E | 26.6 | Very low | 28.3 | Very low | 199 Ų | 199 | 147.1 Ų | 147.1 | 93% | 0.93 | 76% | 0.76 | S | S | * | * | trans | 160.7 | 67.9 | 148.1 | -88.3 | 166.6 | -168.1 | 0 | 0 | 108.1 | ||||
| 660 | I | 23.9 | Very low | 28.2 | Very low | 149 Ų | 149 | 147.7 Ų | 147.7 | 76% | 0.764 | 76% | 0.759 | S | S | * | * | trans | -88.7 | 135.5 | 152 | -68.3 | 171.2 | 0 | 0 | 0 | 104.9 | ||||
| 661 | D | 24.6 | Very low | 27.8 | Very low | 134 Ų | 134 | 150.8 Ų | 150.8 | 72% | 0.717 | 77% | 0.769 | S | S | * | * | trans | 76.3 | 98 | 175.3 | -54.3 | -28.8 | 0 | 0 | 0 | 115.4 | ||||
| 662 | N | 23.4 | Very low | 27.4 | Very low | 145 Ų | 145 | 152.2 Ų | 152.2 | 78% | 0.775 | 77% | 0.774 | S | S | * | * | -175.8 | 139.3 | 100.6 | -81.3 | -42.9 | 0 | 0 | 0 | 110.1 | |||||
| 663 | D | 27 | Very low | 27.1 | Very low | 139 Ų | 139 | 152.4 Ų | 152.4 | 74% | 0.743 | 78% | 0.781 | S | S | * | * | trans | 36.6 | 115.4 | 148.6 | -58.2 | -29.2 | 0 | 0 | 0 | 118 | ||||
| 664 | D | 24.6 | Very low | 26.9 | Very low | 165 Ų | 165 | 158 Ų | 158 | 88% | 0.882 | 79% | 0.794 | S | S | * | * | trans | -152 | 142.1 | 136.2 | -97.7 | -30.9 | 0 | 0 | 0 | 114 | D666 | D664-D666 PolarHBondContact O-N 3.46Š| ||
| 665 | D | 29.1 | Very low | 26.6 | Very low | 156 Ų | 156 | 160.2 Ų | 160.2 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | trans | -78.6 | 91.4 | -169 | -171.1 | 17 | 0 | 0 | 0 | 110.1 | G667 | D665-G667 VanDerWaalsContact C-N 3.28Å; D665-G667 PolarHBondContact O-N 3.05Å | ||
| 666 | D | 29.2 | Very low | 26.6 | Very low | 157 Ų | 157 | 158.6 Ų | 158.6 | 84% | 0.84 | 80% | 0.798 | S | S | * | * | trans | -81.3 | 77.4 | 175.3 | -80.5 | -19.7 | 0 | 0 | 0 | 110.7 | D664 | D664-D666 PolarHBondContact O-N 3.46Š| ||
| 667 | G | 28.9 | Very low | 26.7 | Very low | 59 Ų | 59 | 156.7 Ų | 156.7 | 61% | 0.608 | 79% | 0.792 | S | S | * | * | trans | -73.4 | 108.5 | 144.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | D665 | D665-G667 VanDerWaalsContact C-N 3.28Å; D665-G667 PolarHBondContact O-N 3.05Å | ||
| 668 | D | 28.1 | Very low | 27.1 | Very low | 155 Ų | 155 | 154.2 Ų | 154.2 | 83% | 0.829 | 78% | 0.784 | S | S | * | * | trans | -156.8 | 146.7 | 157.6 | -101.4 | -24.7 | 0 | 0 | 0 | 113.5 | ||||
| 669 | E | 25 | Very low | 27.9 | Very low | 148 Ų | 148 | 153.4 Ų | 153.4 | 69% | 0.692 | 78% | 0.779 | S | S | * | * | trans | -78.4 | 159.8 | -154.8 | -64 | -171.8 | 113.5 | 0 | 0 | 115.2 | ||||
| 670 | Q | 26.5 | Very low | 28.4 | Very low | 151 Ų | 151 | 152.8 Ų | 152.8 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | trans | 47.7 | 109.2 | 136.5 | -66.1 | 169.1 | 45.2 | 0 | 0 | 116.7 | ||||
| 671 | E | 25.8 | Very low | 29.4 | Very low | 183 Ų | 183 | 148.9 Ų | 148.9 | 86% | 0.855 | 76% | 0.756 | S | S | * | * | -179 | 95.2 | 69.7 | -97.3 | -176.3 | 148.8 | 0 | 0 | 106.5 | |||||
| 672 | M | 24.3 | Very low | 30.2 | Very low | 173 Ų | 173 | 149.6 Ų | 149.6 | 85% | 0.852 | 75% | 0.753 | S | S | * | * | trans | -109.8 | 102.6 | 168.7 | -77.8 | -70.6 | -72.6 | 0 | 0 | 108.7 | R674 | M672-R674 PolarHBondContact O-N 3.4Š| ||
| 673 | T | 24.4 | Very low | 31.3 | Very low | 125 Ų | 125 | 150 Ų | 150 | 77% | 0.767 | 74% | 0.744 | S | S | * | * | trans | -40.3 | 106.9 | 167.1 | 35.7 | 0 | 0 | 0 | 0 | 110.1 | F675 | T673-F675 PolarHBondContact O-N 3.34Š| ||
| 674 | R | 26.7 | Very low | 32.5 | Very low | 242 Ų | 242 | 145.8 Ų | 145.8 | 91% | 0.913 | 73% | 0.729 | S | S | * | * | trans | -60.8 | 96.5 | -178.3 | -75.9 | 177.9 | 174 | 166.8 | 0.5 | 110.1 | M672 E676 | M672-R674 PolarHBondContact O-N 3.4Å; R674-E676 PolarHBondContact O-N 3.35Å | ||
| 675 | F | 27.5 | Very low | 33.9 | Very low | 193 Ų | 193 | 145 Ų | 145 | 85% | 0.846 | 72% | 0.717 | S | S | * | * | trans | -58.4 | 122.1 | 155 | -99.3 | -92.4 | 0 | 0 | 0 | 107.9 | T673 Q677 | T673-F675 PolarHBondContact O-N 3.34Å; F675-Q677 PolarHBondContact O-N 2.77Å | ||
| 676 | E | 29.3 | Very low | 35.6 | Very low | 189 Ų | 189 | 141.1 Ų | 141.1 | 88% | 0.883 | 70% | 0.696 | S | S | * | * | trans | -49.2 | 107.2 | -177.5 | -69.6 | -173.9 | 140.7 | 0 | 0 | 110.3 | R674 | R674-E676 PolarHBondContact O-N 3.35Š| ||
| 677 | Q | 32 | Very low | 37.2 | Very low | 139 Ų | 139 | 140.6 Ų | 140.6 | 65% | 0.65 | 69% | 0.688 | S | S | * | * | trans | -60.6 | 130.6 | 178.7 | -72.6 | -172.3 | -4 | 0 | 0 | 108.9 | F675 I679 | F675-Q677 PolarHBondContact O-N 2.77Å; Q677-I679 PolarHBondContact O-N 3.14Å | ||
| 678 | P | 38.2 | Very low | 39.1 | Very low | 95 Ų | 95 | 142.9 Ų | 142.9 | 62% | 0.617 | 69% | 0.686 | S | S | * | * | trans | -57.6 | 135.3 | -176.6 | 19.7 | -29.5 | 0 | 0 | 0 | 109.7 | K680 T681 | P678-K680 PolarHBondContact O-N 3Å; P678-T681 PolarHBondContact O-N 3.49Å; P678-T681 PolarHBondContact O-OG1 2.67Å | ||
| 679 | I | 40.7 | Very low | 41 | Very low | 126 Ų | 126 | 140 Ų | 140 | 65% | 0.646 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -40.3 | -32.3 | -170.6 | -69.1 | 168 | 0 | 0 | 0 | 114 | Q677 T681 K682 Y683 | Q677-I679 PolarHBondContact O-N 3.14Å; I679-T681 PolarHBondContact O-N 3.08Å; I679-K682 WeakPolarHBondContact O-CB 3.44Å; I679-K682 PolarHBondContact O-N 2.91Å; I679-Y683 HydrophobicContact CG2-CD2 3.57Å; I679-Y683 HydrophobicContact CG2-CE2 3.39Å; I679-Y683 WeakPolarHBondContact O-CD2 3.38Å; I679-Y683 PolarHBondContact O-N 3.26Å; I679-Y683 VanDerWaalsContact O-N 3.16Å |
| 680 | K | 36.5 | Very low | 43.2 | Very low | 185 Ų | 185 | 139.5 Ų | 139.5 | 80% | 0.804 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -54.5 | -41.7 | 173.8 | -78.1 | -173 | 174 | -177.1 | 0 | 114.1 | P678 K682 Y683 A684 | P678-K680 PolarHBondContact O-N 3Å; K680-K682 VanDerWaalsContact C-N 3.32Å; K680-K682 PolarHBondContact O-N 3.28Å; K680-Y683 PolarHBondContact O-N 3.22Å; K680-A684 PolarHBondContact O-N 3.34Å |
| 681 | T | 45.3 | Very low | 45.1 | Very low | 67 Ų | 67 | 139.1 Ų | 139.1 | 41% | 0.411 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -69.1 | -33.7 | -179.8 | -35.3 | 0 | 0 | 0 | 0 | 111.4 | P678 I679 A684 K685 | P678-T681 PolarHBondContact O-N 3.49Å; P678-T681 PolarHBondContact O-OG1 2.67Å; I679-T681 PolarHBondContact O-N 3.08Å; T681-A684 PolarHBondContact O-N 3.37Å; T681-K685 WeakPolarHBondContact O-CB 3.4Å; T681-K685 PolarHBondContact O-N 3.49Å |
| 682 | K | 41.2 | Very low | 47.1 | Very low | 150 Ų | 150 | 135.9 Ų | 135.9 | 65% | 0.652 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -66.6 | -43.3 | 177 | -159.6 | 176.7 | -175.7 | 179.6 | 0 | 111.2 | I679 K680 K685 I686 | I679-K682 WeakPolarHBondContact O-CB 3.44Å; I679-K682 PolarHBondContact O-N 2.91Å; K680-K682 VanDerWaalsContact C-N 3.32Å; K680-K682 PolarHBondContact O-N 3.28Å; K682-K685 PolarHBondContact O-N 3.31Å; K682-I686 VanDerWaalsContact O-CG1 3.3Å; K682-I686 WeakPolarHBondContact O-CG1 3.42Å; K682-I686 PolarHBondContact O-N 3.09Å; K682-I686 VanDerWaalsContact O-N 3.12Å |
| 683 | Y | 47.1 | Very low | 49.2 | Very low | 153 Ų | 153 | 132.6 Ų | 132.6 | 60% | 0.6 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -69 | -38.5 | 176 | -79.4 | -76.3 | 0 | 0 | 0 | 113 | I679 K680 K685 I686 Q687 | I679-Y683 HydrophobicContact CG2-CD2 3.57Å; I679-Y683 HydrophobicContact CG2-CE2 3.39Å; I679-Y683 WeakPolarHBondContact O-CD2 3.38Å; I679-Y683 PolarHBondContact O-N 3.26Å; I679-Y683 VanDerWaalsContact O-N 3.16Å; K680-Y683 PolarHBondContact O-N 3.22Å; Y683-K685 VanDerWaalsContact C-N 3.31Å; Y683-K685 PolarHBondContact O-N 3.49Å; Y683-I686 PolarHBondContact O-N 3.48Å; Y683-Q687 PolarHBondContact O-N 3.05Å |
| 684 | A | 53 | Low | 51 | Low | 50 Ų | 50 | 135.4 Ų | 135.4 | 41% | 0.413 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -60.5 | -41.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | K680 T681 Q687 L688 | K680-A684 PolarHBondContact O-N 3.34Å; T681-A684 PolarHBondContact O-N 3.37Å; A684-Q687 PolarHBondContact O-N 3.39Å; A684-L688 PolarHBondContact O-N 3.36Å |
| 685 | K | 53.8 | Low | 52.9 | Low | 148 Ų | 148 | 129.3 Ų | 129.3 | 64% | 0.643 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -66.3 | -38.5 | 176.9 | -159.8 | 170.8 | -173.2 | 174 | 0 | 112.4 | T681 K682 Y683 L688 L689 | T681-K685 WeakPolarHBondContact O-CB 3.4Å; T681-K685 PolarHBondContact O-N 3.49Å; K682-K685 PolarHBondContact O-N 3.31Å; Y683-K685 VanDerWaalsContact C-N 3.31Å; Y683-K685 PolarHBondContact O-N 3.49Å; K685-L688 PolarHBondContact O-N 3.35Å; K685-L689 HydrophobicContact CG-CD1 4.45Å; K685-L689 WeakPolarHBondContact O-CG 3.42Å; K685-L689 PolarHBondContact O-N 3.19Å |
| 686 | I | 64.5 | Low | 54.4 | Low | 76 Ų | 76 | 128.7 Ų | 128.7 | 39% | 0.39 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -65.4 | -41 | 175.1 | -67.9 | 164.9 | 0 | 0 | 0 | 111.2 | K682 Y683 L689 K690 | K682-I686 VanDerWaalsContact O-CG1 3.3Å; K682-I686 WeakPolarHBondContact O-CG1 3.42Å; K682-I686 PolarHBondContact O-N 3.09Å; K682-I686 VanDerWaalsContact O-N 3.12Å; Y683-I686 PolarHBondContact O-N 3.48Å; I686-L689 PolarHBondContact O-N 3.24Å; I686-K690 WeakPolarHBondContact O-CG 3.47Å; I686-K690 PolarHBondContact O-N 2.81Å |
| 687 | Q | 63.5 | Low | 55.6 | Low | 145 Ų | 145 | 124.4 Ų | 124.4 | 68% | 0.678 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -65.1 | -41.2 | 176.3 | -79.2 | -176.3 | -21.2 | 0 | 0 | 112.2 | Y683 A684 K690 K691 | Y683-Q687 PolarHBondContact O-N 3.05Å; A684-Q687 PolarHBondContact O-N 3.39Å; Q687-K690 PolarHBondContact O-N 3.42Å; Q687-K691 WeakPolarHBondContact O-CB 3.48Å; Q687-K691 PolarHBondContact O-N 3.5Å |
| 688 | L | 68.1 | Low | 56.3 | Low | 108 Ų | 108 | 130.5 Ų | 130.5 | 57% | 0.565 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -62.3 | -44.6 | 175.2 | -101.9 | 161.8 | 0 | 0 | 0 | 112.2 | A684 K685 K691 M692 | A684-L688 PolarHBondContact O-N 3.36Å; K685-L688 PolarHBondContact O-N 3.35Å; L688-K691 WeakPolarHBondContact O-CB 3.26Å; L688-K691 PolarHBondContact O-N 2.72Å; L688-K691 VanDerWaalsContact O-N 3.14Å; L688-M692 WeakPolarHBondContact O-CG 3.36Å; L688-M692 PolarHBondContact O-N 3.08Å |
| 689 | L | 68.6 | Low | 57.2 | Low | 94 Ų | 94 | 132.3 Ų | 132.3 | 49% | 0.492 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -62.3 | -45.1 | 176.7 | -75.3 | 165 | 0 | 0 | 0 | 111.7 | K685 I686 K691 M692 D693 | K685-L689 HydrophobicContact CG-CD1 4.45Å; K685-L689 WeakPolarHBondContact O-CG 3.42Å; K685-L689 PolarHBondContact O-N 3.19Å; I686-L689 PolarHBondContact O-N 3.24Å; L689-K691 PolarHBondContact O-N 3.31Å; L689-M692 PolarHBondContact O-N 3.25Å; L689-M692 VanDerWaalsContact O-N 3.14Å; L689-D693 PolarHBondContact O-N 3.11Å |
| 690 | K | 70.8 | Confident | 58.1 | Low | 138 Ų | 138 | 132.6 Ų | 132.6 | 60% | 0.6 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -60.3 | -34.3 | 173.7 | -76.9 | -173.9 | 175.8 | -173.2 | 0 | 112.7 | I686 Q687 R694 | I686-K690 WeakPolarHBondContact O-CG 3.47Å; I686-K690 PolarHBondContact O-N 2.81Å; Q687-K690 PolarHBondContact O-N 3.42Å; K690-R694 WeakPolarHBondContact O-CG 3.39Å; K690-R694 PolarHBondContact O-N 2.75Å |
| 691 | K | 64.9 | Low | 59.3 | Low | 143 Ų | 143 | 129.7 Ų | 129.7 | 62% | 0.622 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -70.8 | -38.9 | 176.7 | -159.7 | 178 | -176.8 | -176.4 | 0 | 111.2 | Q687 L688 L689 R694 L695 | Q687-K691 WeakPolarHBondContact O-CB 3.48Å; Q687-K691 PolarHBondContact O-N 3.5Å; L688-K691 WeakPolarHBondContact O-CB 3.26Å; L688-K691 PolarHBondContact O-N 2.72Å; L688-K691 VanDerWaalsContact O-N 3.14Å; L689-K691 PolarHBondContact O-N 3.31Å; K691-R694 PolarHBondContact O-N 2.85Å; K691-L695 WeakPolarHBondContact O-CG 3.41Å; K691-L695 PolarHBondContact O-N 3.12Å; K691-L695 VanDerWaalsContact O-N 3.14Å |
| 692 | M | 67.8 | Low | 60.1 | Low | 114 Ų | 114 | 133.4 Ų | 133.4 | 56% | 0.562 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -68.3 | -40 | 175.2 | -72.9 | -170.6 | 127.5 | 0 | 0 | 112.7 | L688 L689 R694 L695 K696 | L688-M692 WeakPolarHBondContact O-CG 3.36Å; L688-M692 PolarHBondContact O-N 3.08Å; L689-M692 PolarHBondContact O-N 3.25Å; L689-M692 VanDerWaalsContact O-N 3.14Å; M692-R694 VanDerWaalsContact C-N 3.31Å; M692-R694 PolarHBondContact O-N 2.97Å; M692-L695 CarbonylContact O-C 3.5Å; M692-L695 PolarHBondContact O-N 3.13Å; M692-L695 VanDerWaalsContact O-N 3.09Å; M692-K696 PolarHBondContact O-N 3.18Å |
| 693 | D | 68.4 | Low | 61.3 | Low | 105 Ų | 105 | 132.3 Ų | 132.3 | 56% | 0.561 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -65.8 | -35.3 | 176.4 | -73.2 | -18.7 | 0 | 0 | 0 | 111.9 | L689 L695 K696 S697 | L689-D693 PolarHBondContact O-N 3.11Å; D693-L695 VanDerWaalsContact C-N 3.3Å; D693-L695 PolarHBondContact O-N 2.99Å; D693-K696 PolarHBondContact O-N 2.66Å; D693-S697 PolarHBondContact O-N 3.13Å; D693-S697 VanDerWaalsContact O-N 3.07Å; D693-S697 PolarHBondContact O-OG 2.83Å |
| 694 | R | 63.4 | Low | 62.2 | Low | 184 Ų | 184 | 130.9 Ų | 130.9 | 69% | 0.694 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -67 | -29.6 | 171.6 | -75.8 | 179.4 | -178.5 | -171.3 | -0.4 | 113.3 | K690 K691 M692 S697 R698 | K690-R694 WeakPolarHBondContact O-CG 3.39Å; K690-R694 PolarHBondContact O-N 2.75Å; K691-R694 PolarHBondContact O-N 2.85Å; M692-R694 VanDerWaalsContact C-N 3.31Å; M692-R694 PolarHBondContact O-N 2.97Å; R694-S697 WeakPolarHBondContact CA-OG 3.22Å; R694-S697 PolarHBondContact O-OG 3.04Å; R694-R698 PolarHBondContact O-N 2.79Å |
| 695 | L | 66.1 | Low | 62.9 | Low | 114 Ų | 114 | 136.7 Ų | 136.7 | 60% | 0.597 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -81.1 | -22.7 | 176.1 | -76.6 | 165.2 | 0 | 0 | 0 | 112.8 | K691 M692 D693 R698 | K691-L695 WeakPolarHBondContact O-CG 3.41Å; K691-L695 PolarHBondContact O-N 3.12Å; K691-L695 VanDerWaalsContact O-N 3.14Å; M692-L695 CarbonylContact O-C 3.5Å; M692-L695 PolarHBondContact O-N 3.13Å; M692-L695 VanDerWaalsContact O-N 3.09Å; D693-L695 VanDerWaalsContact C-N 3.3Å; D693-L695 PolarHBondContact O-N 2.99Å; L695-R698 VanDerWaalsContact O-OXT 3.11Å |
| 696 | K | 58.6 | Low | 63.6 | Low | 180 Ų | 180 | 135.8 Ų | 135.8 | 78% | 0.783 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -86.8 | -18.7 | 173.6 | -75.8 | -174.2 | 174.6 | -174.9 | 0 | 113.9 | M692 D693 | M692-K696 PolarHBondContact O-N 3.18Å; D693-K696 PolarHBondContact O-N 2.66Å |
| 697 | S | 54.6 | Low | 63.5 | Low | 99 Ų | 99 | 140.8 Ų | 140.8 | 69% | 0.692 | 65% | 0.654 | S | S | * | * | trans | -94.2 | -8.7 | 175.9 | 48.4 | 0 | 0 | 0 | 0 | 113.5 | D693 R694 | D693-S697 PolarHBondContact O-N 3.13Å; D693-S697 VanDerWaalsContact O-N 3.07Å; D693-S697 PolarHBondContact O-OG 2.83Å; R694-S697 WeakPolarHBondContact CA-OG 3.22Å; R694-S697 PolarHBondContact O-OG 3.04Å | ||
| 698 | R | 47.5 | Very low | 63.5 | Low | 266 Ų | 266 | 140.5 Ų | 140.5 | 100% | 1.004 | 65% | 0.652 | S | S | * | * | trans | -92 | 0 | 158.6 | -74.7 | -178.3 | 172.5 | -171.5 | -4.1 | 108.2 | R694 L695 | R694-R698 PolarHBondContact O-N 2.79Å; L695-R698 VanDerWaalsContact O-OXT 3.11Å |
Retrieved 698 of 698 residues in 1013.7 ms
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