| 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 | 78.6 | Confident | 96.4 | Very high | 157 Ų | 157 | 18.5 Ų | 18.5 | 77% | 0.773 | 10% | 0.101 | S | C | * | . | 0 | 135.3 | 0 | -70.7 | -174.5 | -75.3 | 0 | 0 | 107.5 | D21 | M1-D21 HydrophobicContact CB-CB 4.18Å; M1-D21 HydrophobicContact CE-CB 4.09Å; M1-D21 WeakPolarHBondContact CE-OD2 3.22Å; M1-D21 HydrophobicContact SD-CB 4.23Å | |||
| 2 | P | 94.1 | Very high | 96.5 | Very high | 19 Ų | 19 | 18.5 Ų | 18.5 | 12% | 0.123 | 10% | 0.101 | C | C | . | . | trans | -70.9 | 139.8 | -161.9 | 24.1 | -29.9 | 0 | 0 | 0 | 112.4 | D72 W304 F307 Q308 | P2-D72 WeakPolarHBondContact CA-OD2 3.5Å; P2-D72 HydrophobicContact CB-CB 3.82Å; P2-W304 VanDerWaalsContact O-CD1 3.27Å; P2-W304 PolarHBondContact O-NE1 3.31Å; P2-F307 HydrophobicContact CB-CD1 4.03Å; P2-F307 HydrophobicContact CB-CE1 3.78Å; P2-F307 HydrophobicContact CG-CD1 4.13Å; P2-F307 HydrophobicContact CG-CE1 4.17Å; P2-Q308 HydrophobicContact CG-CG 3.85Å | ||
| 3 | A | 98.4 | Very high | 96.7 | Very high | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.008 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 130 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | V19 R20 L66 I71 D72 C73 | A3-V19 CarbonylContact C-O 3.01Å; A3-V19 WeakPolarHBondContact CA-O 3.25Å; A3-R20 HydrophobicContact CB-CB 4.07Å; A3-R20 HydrophobicContact CB-CG 4.1Å; A3-L66 HydrophobicContact CB-CD1 3.77Å; A3-I71 HydrophobicContact CB-CD1 4.39Å; A3-D72 PolarHBondContact N-OD2 2.66Å; A3-D72 PolarHBondContact O-N 3.15Å; A3-C73 PolarHBondContact O-N 2.84Å |
| 4 | V | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 131.3 | -179.6 | -177.3 | 0 | 0 | 0 | 0 | 109.9 | V18 V19 C73 A75 A300 W304 | V4-V18 WeakPolarHBondContact O-CA 3.33Å; V4-V19 PolarHBondContact N-O 3.26Å; V4-V19 PolarHBondContact O-N 3.28Å; V4-C73 WeakPolarHBondContact CA-O 3.49Å; V4-C73 HydrophobicContact CG1-CB 4.49Å; V4-C73 HydrophobicContact CG2-CB 4.1Å; V4-A75 HydrophobicContact CG1-CB 3.71Å; V4-A300 HydrophobicContact CB-CB 4.4Å; V4-A300 HydrophobicContact CG1-CB 4.24Å; V4-A300 WeakPolarHBondContact CG1-O 3.25Å; V4-W304 HydrophobicContact CB-CB 4.38Å; V4-W304 HydrophobicContact CG2-CB 3.78Å; V4-W304 HydrophobicContact CG2-CG 4.31Å |
| 5 | L | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 117.1 | 171.2 | -179.7 | 71.4 | 0 | 0 | 0 | 109.1 | F7 V16 G17 V18 L57 I71 C73 I74 A75 W100 | L5-F7 HydrophobicContact CD2-CE2 3.63Å; L5-F7 HydrophobicContact CD2-CZ 3.72Å; L5-F7 HydrophobicContact CG-CE2 3.78Å; L5-F7 HydrophobicContact CG-CZ 4.16Å; L5-V16 HydrophobicContact CD1-CG1 3.56Å; L5-V16 HydrophobicContact CG-CG1 4.29Å; L5-G17 CarbonylContact C-O 3.48Å; L5-G17 WeakPolarHBondContact CA-O 3.44Å; L5-V18 HydrophobicContact CD1-CG2 3.59Å; L5-L57 HydrophobicContact CD1-CD1 4.31Å; L5-L57 HydrophobicContact CD2-CD1 3.54Å; L5-L57 HydrophobicContact CG-CD1 4.48Å; L5-I71 HydrophobicContact CB-CD1 4.32Å; L5-I71 HydrophobicContact CB-CG1 4.5Å; L5-I71 HydrophobicContact CB-CG2 3.84Å; L5-C73 PolarHBondContact N-O 3.25Å; L5-I74 HydrophobicContact CB-CD1 4.05Å; L5-I74 HydrophobicContact CD2-CD1 3.97Å; L5-A75 PolarHBondContact O-N 3.38Å; L5-W100 HydrophobicContact CD2-CH2 4.02Å; L5-W100 HydrophobicContact CD2-CZ3 3.73Å |
| 6 | G | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 137.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | V16 G17 A75 | G6-V16 CarbonylContact O-C 3.59Å; G6-V16 WeakPolarHBondContact O-CA 3.5Å; G6-G17 PolarHBondContact N-O 3.26Å; G6-G17 PolarHBondContact O-N 2.91Å; G6-A75 CarbonylContact C-O 3.58Å; G6-A75 VanDerWaalsContact CA-O 3.31Å; G6-A75 WeakPolarHBondContact CA-O 3.49Å |
| 7 | F | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 121.9 | 177.9 | -66 | -95.5 | 0 | 0 | 0 | 112 | L5 V16 I53 L57 I74 A75 Y76 T77 V89 V92 A93 V96 | L5-F7 HydrophobicContact CD2-CE2 3.63Å; L5-F7 HydrophobicContact CD2-CZ 3.72Å; L5-F7 HydrophobicContact CG-CE2 3.78Å; L5-F7 HydrophobicContact CG-CZ 4.16Å; F7-V16 HydrophobicContact CD1-CG1 4.3Å; F7-V16 HydrophobicContact CD1-CG2 3.73Å; F7-V16 HydrophobicContact CE1-CG1 4.09Å; F7-V16 HydrophobicContact CE1-CG2 3.87Å; F7-V16 HydrophobicContact CZ-CG1 4.42Å; F7-I53 HydrophobicContact CD1-CD1 4.29Å; F7-I53 HydrophobicContact CD1-CG1 4.46Å; F7-L57 HydrophobicContact CE1-CB 4.49Å; F7-L57 HydrophobicContact CE1-CD1 4.17Å; F7-L57 HydrophobicContact CZ-CD1 3.77Å; F7-L57 HydrophobicContact CZ-CD2 4.42Å; F7-I74 HydrophobicContact CD2-CG2 4.03Å; F7-I74 HydrophobicContact CE2-CG2 3.81Å; F7-A75 PolarHBondContact N-O 2.94Å; F7-Y76 WeakPolarHBondContact O-CA 3.39Å; F7-T77 PolarHBondContact O-N 3.16Å; F7-T77 VanDerWaalsContact O-N 3.08Å; F7-T77 PolarHBondContact O-OG1 3.02Å; F7-V89 HydrophobicContact CB-CG1 3.55Å; F7-V92 HydrophobicContact CE1-CG1 3.97Å; F7-V92 HydrophobicContact CZ-CG1 4.44Å; F7-A93 HydrophobicContact CD2-CB 3.96Å; F7-A93 HydrophobicContact CE2-CB 4.39Å; F7-A93 HydrophobicContact CG-CB 4.33Å; F7-V96 HydrophobicContact CE2-CG2 3.98Å; F7-V96 HydrophobicContact CZ-CG2 4Å |
| 8 | E | 98.9 | Very high | 97.3 | Very high | 1 Ų | 1 | 14.3 Ų | 14.3 | 1% | 0.005 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 130.9 | 178.9 | 172.2 | 52.6 | -119.3 | 0 | 0 | 110.8 | S10 I14 G15 T77 H109 D294 N295 M298 I299 | E8-S10 VanDerWaalsContact OE1-CB 3.25Å; E8-S10 WeakPolarHBondContact OE1-CB 3.4Å; E8-S10 PolarHBondContact OE1-N 2.73Å; E8-S10 PolarHBondContact OE1-OG 3.34Å; E8-I14 WeakPolarHBondContact O-CA 3.46Å; E8-I14 WeakPolarHBondContact O-CD1 3.49Å; E8-G15 PolarHBondContact N-O 2.79Å; E8-G15 PolarHBondContact O-N 2.89Å; E8-T77 PolarHBondContact OE2-OG1 3.07Å; E8-H109 IonicContact OE1-CE1 2.97Å; E8-H109 IonicContact OE1-ND1 2.62Å; E8-H109 IonicContact OE2-CE1 3.35Å; E8-H109 IonicContact OE2-ND1 3.14Å; E8-H109 PolarHBondContact OE2-ND1 3.45Å; E8-D294 HydrophobicContact CG-CB 3.94Å; E8-N295 WeakPolarHBondContact CB-O 3.42Å; E8-M298 HydrophobicContact CG-CE 3.84Å; E8-M298 WeakPolarHBondContact OE2-CE 3.27Å; E8-I299 HydrophobicContact CB-CG1 3.82Å; E8-I299 HydrophobicContact CG-CG1 4.5Å |
| 9 | G | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.072 | C | C | . | . | trans | -172.8 | 45.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | K13 P85 | G9-K13 WeakPolarHBondContact CA-O 3.41Å; G9-P85 CarbonylContact O-C 3.32Å; G9-P85 WeakPolarHBondContact O-CB 3.34Å | ||
| 10 | S | 98.6 | Very high | 97.4 | Very high | 5 Ų | 5 | 18.2 Ų | 18.2 | 4% | 0.035 | 9% | 0.088 | C | C | . | . | S | Bend | trans | -73.8 | -27.9 | 177.8 | 60.8 | 0 | 0 | 0 | 0 | 113 | E8 M82 H109 | E8-S10 VanDerWaalsContact OE1-CB 3.25Å; E8-S10 WeakPolarHBondContact OE1-CB 3.4Å; E8-S10 PolarHBondContact OE1-N 2.73Å; E8-S10 PolarHBondContact OE1-OG 3.34Å; S10-M82 PolarHBondContact O-N 2.76Å; S10-H109 PolarHBondContact OG-CE1 3.26Å; S10-H109 PolarHBondContact OG-ND1 3.11Å |
| 11 | A | 97.6 | Very high | 97.1 | Very high | 20 Ų | 20 | 20.5 Ų | 20.5 | 17% | 0.165 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -119.7 | -142.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | T45 H49 M82 | A11-T45 WeakPolarHBondContact O-CG2 3.49Å; A11-H49 PolarHBondContact O-NE2 3.27Å; A11-M82 VanDerWaalsContact CA-CE 3.44Å; A11-M82 HydrophobicContact CB-CE 4.48Å; A11-M82 WeakPolarHBondContact O-CE 3.44Å |
| 12 | N | 98 | Very high | 97.5 | Very high | 19 Ų | 19 | 14.3 Ų | 14.3 | 10% | 0.102 | 8% | 0.078 | C | C | . | . | S | Bend | trans | -89.4 | -3.9 | 176.9 | 75 | -49.3 | 0 | 0 | 0 | 114.5 | Y32 F40 T45 | N12-Y32 PolarHBondContact ND2-O 2.84Å; N12-Y32 WeakPolarHBondContact O-CB 3.36Å; N12-Y32 PolarHBondContact O-N 2.98Å; N12-F40 HydrophobicContact CB-CB 4.29Å; N12-F40 HydrophobicContact CB-CD1 3.52Å; N12-F40 HydrophobicContact CB-CD2 3.87Å; N12-F40 HydrophobicContact CB-CE1 3.71Å; N12-F40 HydrophobicContact CB-CE2 4.07Å; N12-F40 HydrophobicContact CB-CG 3.61Å; N12-F40 HydrophobicContact CB-CZ 3.98Å; N12-T45 HydrophobicContact CB-CG2 4.4Å |
| 13 | K | 98.4 | Very high | 97.7 | Very high | 36 Ų | 36 | 20 Ų | 20 | 16% | 0.157 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 143.6 | 171.4 | -72.4 | 74.9 | 56.2 | -174.2 | 0 | 109.1 | G9 R29 R30 T31 I293 D294 | G9-K13 WeakPolarHBondContact CA-O 3.41Å; K13-R29 HydrophobicContact CB-CG 4.49Å; K13-R30 WeakPolarHBondContact CA-O 3.41Å; K13-T31 HydrophobicContact CD-CG2 4.14Å; K13-T31 HydrophobicContact CG-CG2 4.28Å; K13-I293 HydrophobicContact CD-CG2 3.97Å; K13-I293 HydrophobicContact CG-CG2 3.84Å; K13-D294 HydrophobicContact CB-CB 4.27Å; K13-D294 WeakPolarHBondContact CE-OD2 3.25Å; K13-D294 IonicContact NZ-OD2 3.84Å; K13-D294 PolarHBondContact NZ-OD2 3.49Å; K13-D294 VanDerWaalsContact NZ-OD2 3.14Å |
| 14 | I | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 129 | 172 | 176 | 60 | 0 | 0 | 0 | 107.9 | E8 R29 R30 H49 V52 I53 L56 V89 | E8-I14 WeakPolarHBondContact O-CA 3.46Å; E8-I14 WeakPolarHBondContact O-CD1 3.49Å; I14-R29 CarbonylContact O-C 3.51Å; I14-R29 WeakPolarHBondContact O-CA 3.21Å; I14-R30 HydrophobicContact CG2-CB 4.06Å; I14-R30 PolarHBondContact N-O 3.15Å; I14-R30 PolarHBondContact O-N 3.19Å; I14-H49 HydrophobicContact CB-CB 4.44Å; I14-H49 WeakPolarHBondContact CB-ND1 3.03Å; I14-H49 HydrophobicContact CD1-CB 4.49Å; I14-H49 HydrophobicContact CG1-CB 4.33Å; I14-V52 HydrophobicContact CG2-CG2 3.68Å; I14-I53 HydrophobicContact CD1-CB 4.46Å; I14-I53 HydrophobicContact CD1-CD1 4Å; I14-I53 HydrophobicContact CD1-CG1 4.11Å; I14-I53 HydrophobicContact CG1-CB 4.43Å; I14-L56 HydrophobicContact CB-CD1 4.36Å; I14-L56 HydrophobicContact CG1-CD1 3.82Å; I14-L56 HydrophobicContact CG2-CD1 3.94Å; I14-V89 HydrophobicContact CD1-CG2 3.75Å |
| 15 | G | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 147.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | E8 P28 | E8-G15 PolarHBondContact N-O 2.79Å; E8-G15 PolarHBondContact O-N 2.89Å; G15-P28 WeakPolarHBondContact CA-O 3.28Å |
| 16 | V | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 131.2 | 171.3 | -175.8 | 0 | 0 | 0 | 0 | 106.8 | L5 G6 F7 P28 L56 L57 A60 | L5-V16 HydrophobicContact CD1-CG1 3.56Å; L5-V16 HydrophobicContact CG-CG1 4.29Å; G6-V16 CarbonylContact O-C 3.59Å; G6-V16 WeakPolarHBondContact O-CA 3.5Å; F7-V16 HydrophobicContact CD1-CG1 4.3Å; F7-V16 HydrophobicContact CD1-CG2 3.73Å; F7-V16 HydrophobicContact CE1-CG1 4.09Å; F7-V16 HydrophobicContact CE1-CG2 3.87Å; F7-V16 HydrophobicContact CZ-CG1 4.42Å; V16-P28 PolarHBondContact N-O 3.37Å; V16-P28 WeakPolarHBondContact O-CD 3.45Å; V16-L56 HydrophobicContact CB-CB 4.32Å; V16-L56 HydrophobicContact CG2-CB 3.81Å; V16-L57 HydrophobicContact CG1-CD1 4.35Å; V16-A60 HydrophobicContact CB-CB 4.14Å; V16-A60 HydrophobicContact CG1-CB 3.79Å |
| 17 | G | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 152.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L5 G6 A26 | L5-G17 CarbonylContact C-O 3.48Å; L5-G17 WeakPolarHBondContact CA-O 3.44Å; G6-G17 PolarHBondContact N-O 3.26Å; G6-G17 PolarHBondContact O-N 2.91Å; G17-A26 CarbonylContact C-O 3.57Å; G17-A26 VanDerWaalsContact CA-O 3.25Å; G17-A26 WeakPolarHBondContact CA-O 3.34Å |
| 18 | V | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 124 | 178.3 | -179.9 | 0 | 0 | 0 | 0 | 108.4 | V4 L5 L25 A26 A60 L66 I71 | V4-V18 WeakPolarHBondContact O-CA 3.33Å; L5-V18 HydrophobicContact CD1-CG2 3.59Å; V18-L25 HydrophobicContact CB-CB 4.3Å; V18-L25 HydrophobicContact CG1-CB 4.14Å; V18-L25 HydrophobicContact CG1-CD1 4.15Å; V18-L25 HydrophobicContact CG1-CG 4.49Å; V18-L25 PolarHBondContact O-N 2.93Å; V18-A26 HydrophobicContact CB-CB 4.27Å; V18-A26 HydrophobicContact CG2-CB 4.33Å; V18-A26 PolarHBondContact N-O 2.76Å; V18-A26 PolarHBondContact O-N 3.32Å; V18-A60 HydrophobicContact CG2-CB 4.25Å; V18-L66 HydrophobicContact CG1-CD1 3.84Å; V18-I71 HydrophobicContact CG1-CD1 4.32Å |
| 19 | V | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 134 | 175 | 174.8 | 0 | 0 | 0 | 0 | 109.4 | A3 V4 K23 V24 A297 A300 | A3-V19 CarbonylContact C-O 3.01Å; A3-V19 WeakPolarHBondContact CA-O 3.25Å; V4-V19 PolarHBondContact N-O 3.26Å; V4-V19 PolarHBondContact O-N 3.28Å; V19-K23 WeakPolarHBondContact CA-O 3.5Å; V19-V24 HydrophobicContact CG2-CG2 4.17Å; V19-A297 HydrophobicContact CG2-CB 4.15Å; V19-A300 HydrophobicContact CB-CB 3.9Å; V19-A300 HydrophobicContact CG2-CB 3.73Å |
| 20 | R | 98.1 | Very high | 97.6 | Very high | 106 Ų | 106 | 34.4 Ų | 34.4 | 40% | 0.4 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 120.6 | 173.9 | -176.6 | 174.4 | 64.2 | -173 | -5.6 | 108.8 | A3 G22 K23 L25 | A3-R20 HydrophobicContact CB-CB 4.07Å; A3-R20 HydrophobicContact CB-CG 4.1Å; R20-G22 PolarHBondContact O-N 2.8Å; R20-K23 PolarHBondContact N-O 3.39Å; R20-K23 WeakPolarHBondContact O-CB 3.31Å; R20-K23 PolarHBondContact O-N 3.22Å; R20-L25 HydrophobicContact CB-CD1 3.78Å; R20-L25 HydrophobicContact CB-CG 4.3Å |
| 21 | D | 91.9 | Very high | 97.6 | Very high | 66 Ų | 66 | 36.8 Ų | 36.8 | 35% | 0.353 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | 52.5 | 174.4 | -174.5 | 36.2 | 0 | 0 | 0 | 112.9 | M1 K23 | M1-D21 HydrophobicContact CB-CB 4.18Å; M1-D21 HydrophobicContact CE-CB 4.09Å; M1-D21 WeakPolarHBondContact CE-OD2 3.22Å; M1-D21 HydrophobicContact SD-CB 4.23Å; D21-K23 PolarHBondContact O-N 3.41Å |
| 22 | G | 86.2 | Confident | 97.7 | Very high | 28 Ų | 28 | 38.5 Ų | 38.5 | 29% | 0.289 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66 | 7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | R20 | R20-G22 PolarHBondContact O-N 2.8Š|
| 23 | K | 97.3 | Very high | 97.7 | Very high | 139 Ų | 139 | 40.6 Ų | 40.6 | 60% | 0.604 | 20% | 0.197 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 127.4 | 176.6 | -59.3 | -176.1 | -175.9 | 179.1 | 0 | 110.8 | V19 R20 D21 L25 | V19-K23 WeakPolarHBondContact CA-O 3.5Å; R20-K23 PolarHBondContact N-O 3.39Å; R20-K23 WeakPolarHBondContact O-CB 3.31Å; R20-K23 PolarHBondContact O-N 3.22Å; D21-K23 PolarHBondContact O-N 3.41Å; K23-L25 HydrophobicContact CB-CD2 4.29Å; K23-L25 PolarHBondContact O-N 3.27Å |
| 24 | V | 98.5 | Very high | 97.6 | Very high | 47 Ų | 47 | 39.4 Ų | 39.4 | 29% | 0.285 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 115.5 | 170.1 | -176.4 | 0 | 0 | 0 | 0 | 108.2 | V19 N27 M116 F291 A297 | V19-V24 HydrophobicContact CG2-CG2 4.17Å; V24-N27 HydrophobicContact CG1-CB 4.05Å; V24-M116 HydrophobicContact CG2-CE 4.22Å; V24-F291 HydrophobicContact CG1-CE1 4.35Å; V24-F291 HydrophobicContact CG2-CE1 3.93Å; V24-F291 HydrophobicContact CG2-CZ 4.21Å; V24-A297 HydrophobicContact CG1-CB 3.85Å; V24-A297 HydrophobicContact CG2-CB 4.3Å |
| 25 | L | 98.6 | Very high | 97.6 | Very high | 41 Ų | 41 | 43.6 Ų | 43.6 | 22% | 0.215 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | -27.3 | -179.6 | -56.3 | -174.3 | 0 | 0 | 0 | 112.8 | V18 R20 K23 L66 | V18-L25 HydrophobicContact CB-CB 4.3Å; V18-L25 HydrophobicContact CG1-CB 4.14Å; V18-L25 HydrophobicContact CG1-CD1 4.15Å; V18-L25 HydrophobicContact CG1-CG 4.49Å; V18-L25 PolarHBondContact O-N 2.93Å; R20-L25 HydrophobicContact CB-CD1 3.78Å; R20-L25 HydrophobicContact CB-CG 4.3Å; K23-L25 HydrophobicContact CB-CD2 4.29Å; K23-L25 PolarHBondContact O-N 3.27Å; L25-L66 HydrophobicContact CD1-CD1 3.92Å; L25-L66 HydrophobicContact CD1-CG 4.31Å |
| 26 | A | 98.8 | Very high | 97.5 | Very high | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.008 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 148 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | G17 V18 A60 E63 | G17-A26 CarbonylContact C-O 3.57Å; G17-A26 VanDerWaalsContact CA-O 3.25Å; G17-A26 WeakPolarHBondContact CA-O 3.34Å; V18-A26 HydrophobicContact CB-CB 4.27Å; V18-A26 HydrophobicContact CG2-CB 4.33Å; V18-A26 PolarHBondContact N-O 2.76Å; V18-A26 PolarHBondContact O-N 3.32Å; A26-A60 HydrophobicContact CB-CB 4.16Å; A26-A60 VanDerWaalsContact CB-O 3.28Å; A26-A60 WeakPolarHBondContact CB-O 3.24Å; A26-E63 HydrophobicContact CB-CB 3.82Å; A26-E63 HydrophobicContact CB-CG 3.97Å |
| 27 | N | 98.7 | Very high | 97.3 | Very high | 31 Ų | 31 | 48.2 Ų | 48.2 | 17% | 0.166 | 26% | 0.255 | C | S | . | . | trans | -153.6 | 48.7 | 176.2 | -159.1 | 22.5 | 0 | 0 | 0 | 113.9 | V24 N295 G296 A297 | V24-N27 HydrophobicContact CG1-CB 4.05Å; N27-N295 PolarHBondContact ND2-OD1 3.31Å; N27-G296 PolarHBondContact OD1-N 2.82Å; N27-A297 HydrophobicContact CB-CB 4.17Å; N27-A297 VanDerWaalsContact CG-CB 3.5Å; N27-A297 WeakPolarHBondContact OD1-CB 3.48Å; N27-A297 PolarHBondContact OD1-N 2.81Å; N27-A297 VanDerWaalsContact OD1-N 3.07Å | ||
| 28 | P | 98.8 | Very high | 97.2 | Very high | 15 Ų | 15 | 51.1 Ų | 51.1 | 10% | 0.097 | 27% | 0.273 | C | S | . | . | trans | -63.5 | 141.6 | 177.8 | 30.5 | -39.7 | 0 | 0 | 0 | 111.7 | G15 V16 L56 E59 A60 | G15-P28 WeakPolarHBondContact CA-O 3.28Å; V16-P28 PolarHBondContact N-O 3.37Å; V16-P28 WeakPolarHBondContact O-CD 3.45Å; P28-L56 HydrophobicContact CB-CD2 3.68Å; P28-L56 HydrophobicContact CG-CD2 4.22Å; P28-E59 HydrophobicContact CB-CB 4.16Å; P28-E59 HydrophobicContact CG-CB 4.01Å; P28-A60 HydrophobicContact CG-CB 3.82Å | ||
| 29 | R | 98.7 | Very high | 97.1 | Very high | 75 Ų | 75 | 52.4 Ų | 52.4 | 28% | 0.283 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 145.9 | -174.9 | 179.9 | 174.5 | 67.3 | -148.8 | -0.4 | 111.4 | K13 I14 E289 R290 I293 D294 | K13-R29 HydrophobicContact CB-CG 4.49Å; I14-R29 CarbonylContact O-C 3.51Å; I14-R29 WeakPolarHBondContact O-CA 3.21Å; R29-E289 PolarHBondContact NH2-O 3.44Å; R29-R290 PolarHBondContact NH1-O 3.46Å; R29-I293 PolarHBondContact NH1-O 3.39Å; R29-D294 WeakPolarHBondContact CD-O 3.46Å |
| 30 | R | 98.6 | Very high | 97 | Very high | 94 Ų | 94 | 55.5 Ų | 55.5 | 36% | 0.355 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 149.8 | 167.5 | -57.2 | -65.4 | 164.4 | 68.2 | 8 | 110.9 | K13 I14 V52 L56 E59 | K13-R30 WeakPolarHBondContact CA-O 3.41Å; I14-R30 HydrophobicContact CG2-CB 4.06Å; I14-R30 PolarHBondContact N-O 3.15Å; I14-R30 PolarHBondContact O-N 3.19Å; R30-V52 HydrophobicContact CB-CG2 4.46Å; R30-V52 HydrophobicContact CG-CG2 4.45Å; R30-L56 HydrophobicContact CG-CD1 4.21Å; R30-L56 HydrophobicContact CG-CD2 4.13Å; R30-L56 HydrophobicContact CG-CG 4.43Å; R30-E59 IonicContact CZ-OE1 3.44Å; R30-E59 IonicContact NH2-OE1 3.35Å; R30-E59 PolarHBondContact NH2-OE1 2.76Å; R30-E59 IonicContact NH2-OE2 2.7Å; R30-E59 PolarHBondContact NH2-OE2 2.89Å |
| 31 | T | 98.5 | Very high | 97 | Very high | 55 Ų | 55 | 55.6 Ų | 55.6 | 34% | 0.337 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 128.7 | 177.3 | -57.3 | 0 | 0 | 0 | 0 | 109.5 | K13 V33 | K13-T31 HydrophobicContact CD-CG2 4.14Å; K13-T31 HydrophobicContact CG-CG2 4.28Å; T31-V33 HydrophobicContact CG2-CG2 3.96Å; T31-V33 PolarHBondContact O-N 3.26Å |
| 32 | Y | 98.5 | Very high | 97.2 | Very high | 56 Ų | 56 | 55.2 Ų | 55.2 | 22% | 0.22 | 31% | 0.309 | C | S | . | . | trans | -78.6 | 108.2 | 167.3 | 179.1 | -124.1 | 0 | 0 | 0 | 109.5 | N12 T34 F40 D44 H48 | N12-Y32 PolarHBondContact ND2-O 2.84Å; N12-Y32 WeakPolarHBondContact O-CB 3.36Å; N12-Y32 PolarHBondContact O-N 2.98Å; Y32-T34 HydrophobicContact CD1-CG2 4.15Å; Y32-T34 HydrophobicContact CE1-CG2 3.51Å; Y32-F40 HydrophobicContact CD1-CB 3.67Å; Y32-F40 HydrophobicContact CE1-CB 3.74Å; Y32-D44 HydrophobicContact CE1-CB 4.07Å; Y32-D44 WeakPolarHBondContact OH-CB 3.24Å; Y32-H48 HydrophobicContact CD2-CB 3.83Å; Y32-H48 AromaticContact CD2-CG 3.9Å; Y32-H48 HydrophobicContact CE2-CB 4.49Å; Y32-H48 HydrophobicContact CG-CB 4.09Å | ||
| 33 | V | 98.3 | Very high | 97.8 | Very high | 62 Ų | 62 | 55.5 Ų | 55.5 | 38% | 0.376 | 31% | 0.312 | S | S | . | . | P | Polyproline II helix | trans | -101.7 | 127.5 | 179.7 | -178.6 | 0 | 0 | 0 | 0 | 109.6 | T31 N172 D173 | T31-V33 HydrophobicContact CG2-CG2 3.96Å; T31-V33 PolarHBondContact O-N 3.26Å; V33-N172 HydrophobicContact CG1-CB 3.99Å; V33-D173 HydrophobicContact CG1-CB 4.03Å |
| 34 | T | 97.8 | Very high | 97.9 | Very high | 12 Ų | 12 | 51.4 Ų | 51.4 | 7% | 0.074 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -102.4 | 159.1 | 177.1 | 60.4 | 0 | 0 | 0 | 0 | 111.3 | Y32 T38 F40 N172 | Y32-T34 HydrophobicContact CD1-CG2 4.15Å; Y32-T34 HydrophobicContact CE1-CG2 3.51Å; T34-T38 VanDerWaalsContact CB-OG1 3.27Å; T34-T38 WeakPolarHBondContact CB-OG1 3.28Å; T34-T38 PolarHBondContact OG1-O 3Å; T34-T38 VanDerWaalsContact OG1-O 3.11Å; T34-T38 PolarHBondContact OG1-OG1 3.45Å; T34-F40 HydrophobicContact CG2-CB 3.95Å; T34-N172 WeakPolarHBondContact O-CB 3.4Å; T34-N172 PolarHBondContact O-ND2 3.25Å; T34-N172 PolarHBondContact OG1-ND2 3.44Å |
| 35 | P | 98.1 | Very high | 97.9 | Very high | 88 Ų | 88 | 49.2 Ų | 49.2 | 57% | 0.571 | 28% | 0.283 | S | S | * | . | P | Polyproline II helix | trans | -54.6 | 150.4 | 176.5 | -26.7 | 35.4 | 0 | 0 | 0 | 113.4 | G37 T38 N172 | P35-G37 PolarHBondContact O-N 2.91Å; P35-T38 PolarHBondContact O-N 3.44Å; P35-T38 VanDerWaalsContact O-N 3.11Å; P35-T38 PolarHBondContact O-OG1 3.48Å; P35-N172 PolarHBondContact O-ND2 3.02Å |
| 36 | P | 97.3 | Very high | 97.9 | Very high | 69 Ų | 69 | 47.3 Ų | 47.3 | 45% | 0.448 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | 139.2 | 176.6 | -23.6 | 31.7 | 0 | 0 | 0 | 112.4 | T38 K169 | P36-T38 VanDerWaalsContact C-N 3.3Å; P36-T38 PolarHBondContact O-N 3.45Å; P36-K169 WeakPolarHBondContact CB-O 3.42Å |
| 37 | G | 95.3 | Very high | 97.9 | Very high | 27 Ų | 27 | 53.8 Ų | 53.8 | 28% | 0.278 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.6 | -1.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | P35 R166 | P35-G37 PolarHBondContact O-N 2.91Å; G37-R166 WeakPolarHBondContact CA-O 3.43Å |
| 38 | T | 96.7 | Very high | 97.9 | Very high | 61 Ų | 61 | 54.2 Ų | 54.2 | 37% | 0.374 | 30% | 0.299 | S | S | . | . | trans | -117 | 154.1 | 177.3 | 71 | 0 | 0 | 0 | 0 | 111.4 | T34 P35 P36 R166 N172 | T34-T38 VanDerWaalsContact CB-OG1 3.27Å; T34-T38 WeakPolarHBondContact CB-OG1 3.28Å; T34-T38 PolarHBondContact OG1-O 3Å; T34-T38 VanDerWaalsContact OG1-O 3.11Å; T34-T38 PolarHBondContact OG1-OG1 3.45Å; P35-T38 PolarHBondContact O-N 3.44Å; P35-T38 VanDerWaalsContact O-N 3.11Å; P35-T38 PolarHBondContact O-OG1 3.48Å; P36-T38 VanDerWaalsContact C-N 3.3Å; P36-T38 PolarHBondContact O-N 3.45Å; T38-R166 VanDerWaalsContact C-CD 3.45Å; T38-R166 WeakPolarHBondContact O-CD 3.39Å; T38-N172 PolarHBondContact O-ND2 2.9Å | ||
| 39 | G | 95.7 | Very high | 97.9 | Very high | 28 Ų | 28 | 53.5 Ų | 53.5 | 29% | 0.289 | 29% | 0.294 | S | S | . | . | trans | -110.2 | 156.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 40 | F | 96.3 | Very high | 97.9 | Very high | 64 Ų | 64 | 56.4 Ų | 56.4 | 28% | 0.281 | 31% | 0.305 | S | S | . | . | trans | -72 | 135.8 | 176.8 | 53.5 | -97.3 | 0 | 0 | 0 | 111.6 | N12 Y32 T34 M82 | N12-F40 HydrophobicContact CB-CB 4.29Å; N12-F40 HydrophobicContact CB-CD1 3.52Å; N12-F40 HydrophobicContact CB-CD2 3.87Å; N12-F40 HydrophobicContact CB-CE1 3.71Å; N12-F40 HydrophobicContact CB-CE2 4.07Å; N12-F40 HydrophobicContact CB-CG 3.61Å; N12-F40 HydrophobicContact CB-CZ 3.98Å; Y32-F40 HydrophobicContact CD1-CB 3.67Å; Y32-F40 HydrophobicContact CE1-CB 3.74Å; T34-F40 HydrophobicContact CG2-CB 3.95Å; F40-M82 HydrophobicContact CD2-CE 3.53Å; F40-M82 HydrophobicContact CD2-SD 3.99Å; F40-M82 HydrophobicContact CE2-CE 3.29Å; F40-M82 HydrophobicContact CE2-SD 3.91Å; F40-M82 HydrophobicContact CZ-CE 4.45Å | ||
| 41 | L | 97.8 | Very high | 97.9 | Very high | 109 Ų | 109 | 55.3 Ų | 55.3 | 57% | 0.571 | 32% | 0.316 | S | S | * | . | trans | -101.9 | 145.8 | 178 | -64.2 | 177 | 0 | 0 | 0 | 110.7 | G43 D44 T45 | L41-G43 PolarHBondContact O-N 3.15Å; L41-G43 VanDerWaalsContact O-N 3.09Å; L41-D44 PolarHBondContact O-N 3.03Å; L41-D44 VanDerWaalsContact O-N 3.15Å; L41-T45 PolarHBondContact O-N 3.13Å; L41-T45 PolarHBondContact O-OG1 3.02Å | ||
| 42 | P | 97.8 | Very high | 97.9 | Very high | 58 Ų | 58 | 53.8 Ų | 53.8 | 38% | 0.377 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -53.1 | -38.9 | -175.9 | -28.4 | 33.9 | 0 | 0 | 0 | 114.4 | A46 M82 A84 | P42-A46 VanDerWaalsContact O-CB 3.25Å; P42-A46 WeakPolarHBondContact O-CB 3.43Å; P42-A46 PolarHBondContact O-N 3.21Å; P42-M82 HydrophobicContact CB-SD 4.34Å; P42-M82 HydrophobicContact CG-CG 4.47Å; P42-M82 HydrophobicContact CG-SD 3.96Å; P42-A84 HydrophobicContact CB-CB 4.46Å |
| 43 | G | 98.1 | Very high | 97.9 | Very high | 34 Ų | 34 | 51.3 Ų | 51.3 | 35% | 0.351 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66.6 | -46.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | L41 R47 | L41-G43 PolarHBondContact O-N 3.15Å; L41-G43 VanDerWaalsContact O-N 3.09Å; G43-R47 PolarHBondContact O-N 2.81Å; G43-R47 VanDerWaalsContact O-N 3.09Å |
| 44 | D | 98.4 | Very high | 98 | Very high | 53 Ų | 53 | 53.4 Ų | 53.4 | 28% | 0.283 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -68 | -42 | 177.3 | -71.1 | -64 | 0 | 0 | 0 | 112.1 | Y32 L41 A46 R47 H48 | Y32-D44 HydrophobicContact CE1-CB 4.07Å; Y32-D44 WeakPolarHBondContact OH-CB 3.24Å; L41-D44 PolarHBondContact O-N 3.03Å; L41-D44 VanDerWaalsContact O-N 3.15Å; D44-A46 VanDerWaalsContact C-N 3.35Å; D44-A46 PolarHBondContact O-N 3.44Å; D44-R47 WeakPolarHBondContact O-CB 3.49Å; D44-R47 PolarHBondContact O-N 2.84Å; D44-R47 IonicContact OD1-CZ 3.69Å; D44-R47 IonicContact OD1-NE 3.31Å; D44-R47 PolarHBondContact OD1-NE 3.3Å; D44-R47 IonicContact OD1-NH2 3.44Å; D44-R47 PolarHBondContact OD1-NH2 3.48Å; D44-R47 IonicContact OD2-NH2 3.36Å; D44-R47 PolarHBondContact OD2-NH2 3.22Å; D44-H48 PolarHBondContact O-N 2.81Å |
| 45 | T | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.1 | -43.4 | 176.7 | -56 | 0 | 0 | 0 | 0 | 111.7 | A11 N12 L41 R47 H48 H49 M82 P85 | A11-T45 WeakPolarHBondContact O-CG2 3.49Å; N12-T45 HydrophobicContact CB-CG2 4.4Å; L41-T45 PolarHBondContact O-N 3.13Å; L41-T45 PolarHBondContact O-OG1 3.02Å; T45-R47 VanDerWaalsContact C-N 3.32Å; T45-R47 PolarHBondContact O-N 3.01Å; T45-H48 WeakPolarHBondContact O-CB 3.41Å; T45-H48 PolarHBondContact O-N 2.81Å; T45-H49 PolarHBondContact O-N 3.28Å; T45-H49 PolarHBondContact O-ND1 2.87Å; T45-M82 HydrophobicContact CG2-CE 4.13Å; T45-P85 HydrophobicContact CG2-CB 4.48Å; T45-P85 HydrophobicContact CG2-CG 3.86Å |
| 46 | A | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.008 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.2 | -36.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | P42 D44 H49 R50 A84 P85 | P42-A46 VanDerWaalsContact O-CB 3.25Å; P42-A46 WeakPolarHBondContact O-CB 3.43Å; P42-A46 PolarHBondContact O-N 3.21Å; D44-A46 VanDerWaalsContact C-N 3.35Å; D44-A46 PolarHBondContact O-N 3.44Å; A46-H49 PolarHBondContact O-N 3.2Å; A46-R50 WeakPolarHBondContact O-CG 3.18Å; A46-R50 PolarHBondContact O-N 3.34Å; A46-R50 PolarHBondContact O-NH1 3.4Å; A46-A84 HydrophobicContact CB-CB 3.76Å; A46-P85 HydrophobicContact CB-CG 4.25Å |
| 47 | R | 98.8 | Very high | 98.1 | Very high | 137 Ų | 137 | 50.3 Ų | 50.3 | 52% | 0.517 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -59.6 | -48.1 | 172.2 | -81.1 | -174.4 | -78.7 | -90.7 | 8.5 | 111.2 | G43 D44 T45 R50 A51 | G43-R47 PolarHBondContact O-N 2.81Å; G43-R47 VanDerWaalsContact O-N 3.09Å; D44-R47 WeakPolarHBondContact O-CB 3.49Å; D44-R47 PolarHBondContact O-N 2.84Å; D44-R47 IonicContact OD1-CZ 3.69Å; D44-R47 IonicContact OD1-NE 3.31Å; D44-R47 PolarHBondContact OD1-NE 3.3Å; D44-R47 IonicContact OD1-NH2 3.44Å; D44-R47 PolarHBondContact OD1-NH2 3.48Å; D44-R47 IonicContact OD2-NH2 3.36Å; D44-R47 PolarHBondContact OD2-NH2 3.22Å; T45-R47 VanDerWaalsContact C-N 3.32Å; T45-R47 PolarHBondContact O-N 3.01Å; R47-R50 VanDerWaalsContact CG-NH2 3.34Å; R47-R50 PolarHBondContact O-N 2.9Å; R47-A51 PolarHBondContact O-N 3.29Å |
| 48 | H | 98.8 | Very high | 98.3 | Very high | 40 Ų | 40 | 54.6 Ų | 54.6 | 19% | 0.185 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -57.9 | -49.5 | 176.3 | 166.7 | -96.8 | 0 | 0 | 0 | 111.6 | Y32 D44 T45 R50 A51 V52 | Y32-H48 HydrophobicContact CD2-CB 3.83Å; Y32-H48 AromaticContact CD2-CG 3.9Å; Y32-H48 HydrophobicContact CE2-CB 4.49Å; Y32-H48 HydrophobicContact CG-CB 4.09Å; D44-H48 PolarHBondContact O-N 2.81Å; T45-H48 WeakPolarHBondContact O-CB 3.41Å; T45-H48 PolarHBondContact O-N 2.81Å; H48-R50 PolarHBondContact O-N 3.45Å; H48-A51 WeakPolarHBondContact O-CB 3.39Å; H48-A51 PolarHBondContact O-N 2.87Å; H48-A51 VanDerWaalsContact O-N 3.08Å; H48-V52 PolarHBondContact O-N 3.45Å |
| 49 | H | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.6 | -45 | -179.6 | -65 | -5.4 | 0 | 0 | 0 | 112.4 | A11 I14 T45 A46 A51 V52 I53 | A11-H49 PolarHBondContact O-NE2 3.27Å; I14-H49 HydrophobicContact CB-CB 4.44Å; I14-H49 WeakPolarHBondContact CB-ND1 3.03Å; I14-H49 HydrophobicContact CD1-CB 4.49Å; I14-H49 HydrophobicContact CG1-CB 4.33Å; T45-H49 PolarHBondContact O-N 3.28Å; T45-H49 PolarHBondContact O-ND1 2.87Å; A46-H49 PolarHBondContact O-N 3.2Å; H49-A51 PolarHBondContact O-N 2.76Å; H49-V52 PolarHBondContact O-N 3.42Å; H49-I53 VanDerWaalsContact O-CB 3.25Å; H49-I53 WeakPolarHBondContact O-CB 3.49Å; H49-I53 WeakPolarHBondContact O-CG2 3.32Å; H49-I53 PolarHBondContact O-N 2.91Å |
| 50 | R | 98.9 | Very high | 98.6 | Very high | 135 Ų | 135 | 53.8 Ų | 53.8 | 51% | 0.509 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.1 | -30.1 | 176.9 | -72.2 | -169.6 | -58.2 | -84.4 | 2.5 | 113.3 | A46 R47 H48 V52 S88 | A46-R50 WeakPolarHBondContact O-CG 3.18Å; A46-R50 PolarHBondContact O-N 3.34Å; A46-R50 PolarHBondContact O-NH1 3.4Å; R47-R50 VanDerWaalsContact CG-NH2 3.34Å; R47-R50 PolarHBondContact O-N 2.9Å; H48-R50 PolarHBondContact O-N 3.45Å; R50-V52 VanDerWaalsContact C-N 3.34Å; R50-S88 PolarHBondContact NH1-OG 3.25Å; R50-S88 VanDerWaalsContact NH1-OG 3.17Å |
| 51 | A | 98.8 | Very high | 98.7 | Very high | 71 Ų | 71 | 51.6 Ų | 51.6 | 59% | 0.587 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -72.6 | -25.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | R47 H48 H49 | R47-A51 PolarHBondContact O-N 3.29Å; H48-A51 WeakPolarHBondContact O-CB 3.39Å; H48-A51 PolarHBondContact O-N 2.87Å; H48-A51 VanDerWaalsContact O-N 3.08Å; H49-A51 PolarHBondContact O-N 2.76Å |
| 52 | V | 98.9 | Very high | 98.7 | Very high | 23 Ų | 23 | 51.2 Ų | 51.2 | 14% | 0.139 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -125.2 | -11.5 | -169.9 | -55.5 | 0 | 0 | 0 | 0 | 114.9 | I14 R30 H48 H49 R50 L54 D55 L56 | I14-V52 HydrophobicContact CG2-CG2 3.68Å; R30-V52 HydrophobicContact CB-CG2 4.46Å; R30-V52 HydrophobicContact CG-CG2 4.45Å; H48-V52 PolarHBondContact O-N 3.45Å; H49-V52 PolarHBondContact O-N 3.42Å; R50-V52 VanDerWaalsContact C-N 3.34Å; V52-L54 VanDerWaalsContact C-N 3.32Å; V52-L54 PolarHBondContact O-N 2.86Å; V52-D55 PolarHBondContact O-N 2.54Å; V52-L56 HydrophobicContact CG2-CD1 4.12Å; V52-L56 WeakPolarHBondContact O-CG 3.31Å; V52-L56 PolarHBondContact O-N 2.92Å |
| 53 | I | 98.9 | Very high | 98.8 | Very high | 4 Ų | 4 | 54.2 Ų | 54.2 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.7 | -34.4 | -172.7 | -171.8 | 170.4 | 0 | 0 | 0 | 113.7 | F7 I14 H49 L57 V89 V92 | F7-I53 HydrophobicContact CD1-CD1 4.29Å; F7-I53 HydrophobicContact CD1-CG1 4.46Å; I14-I53 HydrophobicContact CD1-CB 4.46Å; I14-I53 HydrophobicContact CD1-CD1 4Å; I14-I53 HydrophobicContact CD1-CG1 4.11Å; I14-I53 HydrophobicContact CG1-CB 4.43Å; H49-I53 VanDerWaalsContact O-CB 3.25Å; H49-I53 WeakPolarHBondContact O-CB 3.49Å; H49-I53 WeakPolarHBondContact O-CG2 3.32Å; H49-I53 PolarHBondContact O-N 2.91Å; I53-L57 WeakPolarHBondContact O-CB 3.36Å; I53-L57 PolarHBondContact O-N 3.28Å; I53-V89 HydrophobicContact CD1-CB 4.35Å; I53-V89 HydrophobicContact CD1-CG1 4.31Å; I53-V89 HydrophobicContact CD1-CG2 4.12Å; I53-V92 HydrophobicContact CD1-CB 3.88Å; I53-V92 HydrophobicContact CD1-CG1 4.11Å; I53-V92 HydrophobicContact CD1-CG2 3.9Å; I53-V92 HydrophobicContact CG1-CG1 4.35Å; I53-V92 HydrophobicContact CG2-CG2 4Å |
| 54 | L | 98.9 | Very high | 98.8 | Very high | 106 Ų | 106 | 53.4 Ų | 53.4 | 56% | 0.555 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -76.5 | -32.6 | 178.9 | -60.8 | -174.7 | 0 | 0 | 0 | 112.1 | V52 L57 Q58 V92 | V52-L54 VanDerWaalsContact C-N 3.32Å; V52-L54 PolarHBondContact O-N 2.86Å; L54-L57 HydrophobicContact CD2-CD2 4.42Å; L54-L57 WeakPolarHBondContact O-CB 3.09Å; L54-L57 PolarHBondContact O-N 3.41Å; L54-Q58 PolarHBondContact O-N 3.39Å; L54-V92 HydrophobicContact CD2-CG1 3.95Å; L54-V92 HydrophobicContact CD2-CG2 4.44Å |
| 55 | D | 98.9 | Very high | 98.8 | Very high | 90 Ų | 90 | 53.8 Ų | 53.8 | 48% | 0.481 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.7 | -47.2 | 172 | -58.6 | -26 | 0 | 0 | 0 | 109.7 | V52 L57 Q58 E59 | V52-D55 PolarHBondContact O-N 2.54Å; D55-L57 VanDerWaalsContact C-N 3.31Å; D55-L57 PolarHBondContact O-N 2.84Å; D55-Q58 PolarHBondContact O-N 3.09Å; D55-Q58 VanDerWaalsContact O-N 3.15Å; D55-E59 WeakPolarHBondContact O-CB 3.37Å; D55-E59 VanDerWaalsContact O-CG 3.3Å; D55-E59 WeakPolarHBondContact O-CG 3.44Å; D55-E59 PolarHBondContact O-N 3.01Å |
| 56 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.6 | -37.9 | 175.8 | -73.7 | 171.6 | 0 | 0 | 0 | 113 | I14 V16 P28 R30 V52 A60 | I14-L56 HydrophobicContact CB-CD1 4.36Å; I14-L56 HydrophobicContact CG1-CD1 3.82Å; I14-L56 HydrophobicContact CG2-CD1 3.94Å; V16-L56 HydrophobicContact CB-CB 4.32Å; V16-L56 HydrophobicContact CG2-CB 3.81Å; P28-L56 HydrophobicContact CB-CD2 3.68Å; P28-L56 HydrophobicContact CG-CD2 4.22Å; R30-L56 HydrophobicContact CG-CD1 4.21Å; R30-L56 HydrophobicContact CG-CD2 4.13Å; R30-L56 HydrophobicContact CG-CG 4.43Å; V52-L56 HydrophobicContact CG2-CD1 4.12Å; V52-L56 WeakPolarHBondContact O-CG 3.31Å; V52-L56 PolarHBondContact O-N 2.92Å; L56-A60 WeakPolarHBondContact O-CB 2.98Å; L56-A60 PolarHBondContact O-N 3.41Å |
| 57 | L | 98.9 | Very high | 98.8 | Very high | 14 Ų | 14 | 58.1 Ų | 58.1 | 7% | 0.073 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.4 | -48.9 | 173.8 | 171.7 | 58.2 | 0 | 0 | 0 | 111.1 | L5 F7 V16 I53 L54 D55 A60 L61 V96 W100 | L5-L57 HydrophobicContact CD1-CD1 4.31Å; L5-L57 HydrophobicContact CD2-CD1 3.54Å; L5-L57 HydrophobicContact CG-CD1 4.48Å; F7-L57 HydrophobicContact CE1-CB 4.49Å; F7-L57 HydrophobicContact CE1-CD1 4.17Å; F7-L57 HydrophobicContact CZ-CD1 3.77Å; F7-L57 HydrophobicContact CZ-CD2 4.42Å; V16-L57 HydrophobicContact CG1-CD1 4.35Å; I53-L57 WeakPolarHBondContact O-CB 3.36Å; I53-L57 PolarHBondContact O-N 3.28Å; L54-L57 HydrophobicContact CD2-CD2 4.42Å; L54-L57 WeakPolarHBondContact O-CB 3.09Å; L54-L57 PolarHBondContact O-N 3.41Å; D55-L57 VanDerWaalsContact C-N 3.31Å; D55-L57 PolarHBondContact O-N 2.84Å; L57-A60 PolarHBondContact O-N 2.99Å; L57-L61 HydrophobicContact CD1-CD1 4.24Å; L57-L61 HydrophobicContact CD1-CG 4.34Å; L57-L61 HydrophobicContact CG-CD1 4.45Å; L57-L61 WeakPolarHBondContact O-CG 3.13Å; L57-L61 PolarHBondContact O-N 3.36Å; L57-L61 VanDerWaalsContact O-N 3.07Å; L57-V96 HydrophobicContact CD2-CG1 3.81Å; L57-W100 HydrophobicContact CD1-CH2 4.23Å |
| 58 | Q | 98.8 | Very high | 98.7 | Very high | 118 Ų | 118 | 53.2 Ų | 53.2 | 55% | 0.551 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -67.8 | -38.7 | 179.5 | -173.1 | 65.3 | -2.1 | 0 | 0 | 112.3 | L54 D55 A60 L61 T62 | L54-Q58 PolarHBondContact O-N 3.39Å; D55-Q58 PolarHBondContact O-N 3.09Å; D55-Q58 VanDerWaalsContact O-N 3.15Å; Q58-A60 VanDerWaalsContact C-N 3.35Å; Q58-L61 PolarHBondContact O-N 3.39Å; Q58-T62 WeakPolarHBondContact O-CB 3.35Å; Q58-T62 PolarHBondContact O-N 2.99Å; Q58-T62 PolarHBondContact O-OG1 2.99Å |
| 59 | E | 98.9 | Very high | 98.6 | Very high | 71 Ų | 71 | 57.2 Ų | 57.2 | 33% | 0.332 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -56.7 | -48.2 | 171.9 | -75 | 171.4 | -152.5 | 0 | 0 | 110.3 | P28 R30 D55 L61 T62 E63 | P28-E59 HydrophobicContact CB-CB 4.16Å; P28-E59 HydrophobicContact CG-CB 4.01Å; R30-E59 IonicContact CZ-OE1 3.44Å; R30-E59 IonicContact NH2-OE1 3.35Å; R30-E59 PolarHBondContact NH2-OE1 2.76Å; R30-E59 IonicContact NH2-OE2 2.7Å; R30-E59 PolarHBondContact NH2-OE2 2.89Å; D55-E59 WeakPolarHBondContact O-CB 3.37Å; D55-E59 VanDerWaalsContact O-CG 3.3Å; D55-E59 WeakPolarHBondContact O-CG 3.44Å; D55-E59 PolarHBondContact O-N 3.01Å; E59-L61 PolarHBondContact O-N 3.23Å; E59-T62 PolarHBondContact O-N 3.04Å; E59-E63 VanDerWaalsContact O-CB 3.3Å; E59-E63 WeakPolarHBondContact O-CB 3.18Å; E59-E63 PolarHBondContact O-N 2.78Å |
| 60 | A | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65.3 | -40 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | V16 V18 A26 P28 L56 L57 Q58 S64 | V16-A60 HydrophobicContact CB-CB 4.14Å; V16-A60 HydrophobicContact CG1-CB 3.79Å; V18-A60 HydrophobicContact CG2-CB 4.25Å; A26-A60 HydrophobicContact CB-CB 4.16Å; A26-A60 VanDerWaalsContact CB-O 3.28Å; A26-A60 WeakPolarHBondContact CB-O 3.24Å; P28-A60 HydrophobicContact CG-CB 3.82Å; L56-A60 WeakPolarHBondContact O-CB 2.98Å; L56-A60 PolarHBondContact O-N 3.41Å; L57-A60 PolarHBondContact O-N 2.99Å; Q58-A60 VanDerWaalsContact C-N 3.35Å; A60-S64 VanDerWaalsContact O-CB 3.26Å; A60-S64 WeakPolarHBondContact O-CB 3.46Å; A60-S64 PolarHBondContact O-N 2.91Å; A60-S64 PolarHBondContact O-OG 3.12Å |
| 61 | L | 98.8 | Very high | 98.6 | Very high | 19 Ų | 19 | 54.5 Ų | 54.5 | 10% | 0.099 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.4 | -43.5 | 174.4 | -68 | 174.2 | 0 | 0 | 0 | 111.3 | L57 Q58 E59 S64 G65 L66 I71 W100 | L57-L61 HydrophobicContact CD1-CD1 4.24Å; L57-L61 HydrophobicContact CD1-CG 4.34Å; L57-L61 HydrophobicContact CG-CD1 4.45Å; L57-L61 WeakPolarHBondContact O-CG 3.13Å; L57-L61 PolarHBondContact O-N 3.36Å; L57-L61 VanDerWaalsContact O-N 3.07Å; Q58-L61 PolarHBondContact O-N 3.39Å; E59-L61 PolarHBondContact O-N 3.23Å; L61-S64 PolarHBondContact O-OG 2.79Å; L61-G65 PolarHBondContact O-N 2.85Å; L61-G65 VanDerWaalsContact O-N 3.11Å; L61-L66 PolarHBondContact O-N 2.77Å; L61-I71 HydrophobicContact CD2-CG1 4.33Å; L61-W100 HydrophobicContact CD1-CH2 4Å; L61-W100 HydrophobicContact CD1-CZ2 4.33Å; L61-W100 HydrophobicContact CD2-CH2 4.41Å |
| 62 | T | 98.8 | Very high | 98.5 | Very high | 100 Ų | 100 | 54.1 Ų | 54.1 | 61% | 0.613 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -66.2 | -47.4 | -179.9 | -55.4 | 0 | 0 | 0 | 0 | 111.6 | Q58 E59 G65 | Q58-T62 WeakPolarHBondContact O-CB 3.35Å; Q58-T62 PolarHBondContact O-N 2.99Å; Q58-T62 PolarHBondContact O-OG1 2.99Å; E59-T62 PolarHBondContact O-N 3.04Å; T62-G65 PolarHBondContact O-N 2.88Å |
| 63 | E | 98.7 | Very high | 98.5 | Very high | 122 Ų | 122 | 53 Ų | 53 | 57% | 0.57 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -64.1 | -41.3 | 179.7 | -175.8 | -174.1 | 170.7 | 0 | 0 | 111.7 | A26 E59 G65 | A26-E63 HydrophobicContact CB-CB 3.82Å; A26-E63 HydrophobicContact CB-CG 3.97Å; E59-E63 VanDerWaalsContact O-CB 3.3Å; E59-E63 WeakPolarHBondContact O-CB 3.18Å; E59-E63 PolarHBondContact O-N 2.78Å; E63-G65 VanDerWaalsContact C-N 3.26Å; E63-G65 PolarHBondContact O-N 2.84Å |
| 64 | S | 98.6 | Very high | 98.5 | Very high | 16 Ų | 16 | 52.8 Ų | 52.8 | 11% | 0.112 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -73.9 | -16.5 | 178.5 | 64 | 0 | 0 | 0 | 0 | 113.9 | A60 L61 L66 | A60-S64 VanDerWaalsContact O-CB 3.26Å; A60-S64 WeakPolarHBondContact O-CB 3.46Å; A60-S64 PolarHBondContact O-N 2.91Å; A60-S64 PolarHBondContact O-OG 3.12Å; L61-S64 PolarHBondContact O-OG 2.79Å; S64-L66 PolarHBondContact O-N 3.43Å; S64-L66 PolarHBondContact OG-N 3.48Å |
| 65 | G | 98.4 | Very high | 98.5 | Very high | 62 Ų | 62 | 47.8 Ų | 47.8 | 64% | 0.639 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.1 | 15.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | L61 T62 E63 | L61-G65 PolarHBondContact O-N 2.85Å; L61-G65 VanDerWaalsContact O-N 3.11Å; T62-G65 PolarHBondContact O-N 2.88Å; E63-G65 VanDerWaalsContact C-N 3.26Å; E63-G65 PolarHBondContact O-N 2.84Å |
| 66 | L | 98.5 | Very high | 98.5 | Very high | 14 Ų | 14 | 43.5 Ų | 43.5 | 7% | 0.073 | 24% | 0.244 | C | C | . | . | trans | -99.9 | 142.7 | -179.1 | -59.6 | -168.2 | 0 | 0 | 0 | 111.3 | A3 V18 L25 L61 S64 D70 I71 | A3-L66 HydrophobicContact CB-CD1 3.77Å; V18-L66 HydrophobicContact CG1-CD1 3.84Å; L25-L66 HydrophobicContact CD1-CD1 3.92Å; L25-L66 HydrophobicContact CD1-CG 4.31Å; L61-L66 PolarHBondContact O-N 2.77Å; S64-L66 PolarHBondContact O-N 3.43Å; S64-L66 PolarHBondContact OG-N 3.48Å; L66-D70 HydrophobicContact CB-CB 4.08Å; L66-D70 HydrophobicContact CD2-CB 4.16Å; L66-D70 HydrophobicContact CG-CB 4.49Å; L66-I71 HydrophobicContact CB-CD1 4.26Å; L66-I71 HydrophobicContact CD1-CD1 3.98Å | ||
| 67 | T | 98.4 | Very high | 98.5 | Very high | 78 Ų | 78 | 43.6 Ų | 43.6 | 48% | 0.479 | 24% | 0.244 | S | C | . | . | trans | -93.1 | 172.1 | 171.6 | 71.9 | 0 | 0 | 0 | 0 | 111.1 | Q69 D70 | T67-Q69 PolarHBondContact O-N 3.4Å; T67-Q69 VanDerWaalsContact O-N 3.16Å; T67-Q69 PolarHBondContact OG1-N 2.82Å; T67-D70 WeakPolarHBondContact CB-OD2 3.22Å; T67-D70 PolarHBondContact N-OD2 2.94Å; T67-D70 PolarHBondContact O-N 2.97Å; T67-D70 VanDerWaalsContact O-N 3.1Å; T67-D70 PolarHBondContact OG1-OD2 2.84Å | ||
| 68 | S | 97.4 | Very high | 98.6 | Very high | 34 Ų | 34 | 44 Ų | 44 | 24% | 0.238 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -29.4 | 176.5 | 58.3 | 0 | 0 | 0 | 0 | 114 | W100 K102 | S68-W100 VanDerWaalsContact CB-CD2 3.44Å; S68-W100 VanDerWaalsContact CB-CE2 3.41Å; S68-K102 WeakPolarHBondContact O-CE 3.47Å |
| 69 | Q | 96.5 | Very high | 98.5 | Very high | 124 Ų | 124 | 38.4 Ų | 38.4 | 58% | 0.579 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -29.2 | 179.8 | -64.5 | -55.6 | -43.4 | 0 | 0 | 112.5 | T67 I71 K102 | T67-Q69 PolarHBondContact O-N 3.4Å; T67-Q69 VanDerWaalsContact O-N 3.16Å; T67-Q69 PolarHBondContact OG1-N 2.82Å; Q69-I71 VanDerWaalsContact C-N 3.28Å; Q69-I71 PolarHBondContact O-N 3.35Å; Q69-K102 PolarHBondContact O-NZ 2.88Å |
| 70 | D | 98.3 | Very high | 98.5 | Very high | 78 Ų | 78 | 35.9 Ų | 35.9 | 42% | 0.417 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -14.5 | 179.7 | -55 | -53.4 | 0 | 0 | 0 | 112.9 | L66 T67 | L66-D70 HydrophobicContact CB-CB 4.08Å; L66-D70 HydrophobicContact CD2-CB 4.16Å; L66-D70 HydrophobicContact CG-CB 4.49Å; T67-D70 WeakPolarHBondContact CB-OD2 3.22Å; T67-D70 PolarHBondContact N-OD2 2.94Å; T67-D70 PolarHBondContact O-N 2.97Å; T67-D70 VanDerWaalsContact O-N 3.1Å; T67-D70 PolarHBondContact OG1-OD2 2.84Å |
| 71 | I | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -81 | 127.4 | 174 | -58.4 | -57.2 | 0 | 0 | 0 | 109.5 | A3 L5 V18 L61 L66 Q69 C73 I74 W100 K102 | A3-I71 HydrophobicContact CB-CD1 4.39Å; L5-I71 HydrophobicContact CB-CD1 4.32Å; L5-I71 HydrophobicContact CB-CG1 4.5Å; L5-I71 HydrophobicContact CB-CG2 3.84Å; V18-I71 HydrophobicContact CG1-CD1 4.32Å; L61-I71 HydrophobicContact CD2-CG1 4.33Å; L66-I71 HydrophobicContact CB-CD1 4.26Å; L66-I71 HydrophobicContact CD1-CD1 3.98Å; Q69-I71 VanDerWaalsContact C-N 3.28Å; Q69-I71 PolarHBondContact O-N 3.35Å; I71-C73 WeakPolarHBondContact CG2-O 3.37Å; I71-I74 HydrophobicContact CG2-CD1 3.83Å; I71-W100 HydrophobicContact CG1-CZ3 4.5Å; I71-K102 WeakPolarHBondContact O-CD 3.49Å; I71-K102 WeakPolarHBondContact O-CE 3.47Å; I71-K102 PolarHBondContact O-NZ 3.07Å | ||
| 72 | D | 98.6 | Very high | 98.5 | Very high | 63 Ų | 63 | 37.8 Ų | 37.8 | 34% | 0.337 | 22% | 0.224 | S | C | . | . | trans | -96.5 | -26.9 | -176.8 | -64 | -67.8 | 0 | 0 | 0 | 113.1 | P2 A3 P103 | P2-D72 WeakPolarHBondContact CA-OD2 3.5Å; P2-D72 HydrophobicContact CB-CB 3.82Å; A3-D72 PolarHBondContact N-OD2 2.66Å; A3-D72 PolarHBondContact O-N 3.15Å; D72-P103 VanDerWaalsContact O-CD 3.27Å; D72-P103 WeakPolarHBondContact O-CD 3.35Å; D72-P103 VanDerWaalsContact O-CG 3.28Å; D72-P103 WeakPolarHBondContact O-CG 3.35Å | ||
| 73 | C | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 147.2 | 179.1 | -171.4 | 0 | 0 | 0 | 0 | 111.9 | A3 V4 L5 I71 P103 V105 F307 | A3-C73 PolarHBondContact O-N 2.84Å; V4-C73 WeakPolarHBondContact CA-O 3.49Å; V4-C73 HydrophobicContact CG1-CB 4.49Å; V4-C73 HydrophobicContact CG2-CB 4.1Å; L5-C73 PolarHBondContact N-O 3.25Å; I71-C73 WeakPolarHBondContact CG2-O 3.37Å; C73-P103 HydrophobicContact CB-CG 4.32Å; C73-P103 PolarHBondContact SG-O 3.01Å; C73-V105 VanDerWaalsContact SG-CG2 3.58Å; C73-F307 HydrophobicContact CB-CB 4.42Å; C73-F307 HydrophobicContact CB-CD1 4.29Å; C73-F307 HydrophobicContact CB-CD2 3.64Å; C73-F307 HydrophobicContact CB-CE2 3.89Å; C73-F307 HydrophobicContact CB-CG 3.86Å; C73-F307 HydrophobicContact CB-CZ 4.32Å; C73-F307 VanDerWaalsContact SG-CD2 3.51Å |
| 74 | I | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 125.5 | 170.3 | -52 | -58.9 | 0 | 0 | 0 | 108.7 | L5 F7 I71 A93 V96 A97 W100 K102 P103 L104 V105 | L5-I74 HydrophobicContact CB-CD1 4.05Å; L5-I74 HydrophobicContact CD2-CD1 3.97Å; F7-I74 HydrophobicContact CD2-CG2 4.03Å; F7-I74 HydrophobicContact CE2-CG2 3.81Å; I71-I74 HydrophobicContact CG2-CD1 3.83Å; I74-A93 HydrophobicContact CG2-CB 4.04Å; I74-V96 HydrophobicContact CD1-CG2 4.06Å; I74-V96 HydrophobicContact CG1-CG2 4.19Å; I74-V96 HydrophobicContact CG2-CG2 4.03Å; I74-A97 HydrophobicContact CB-CB 4.18Å; I74-A97 HydrophobicContact CG1-CB 3.91Å; I74-W100 HydrophobicContact CD1-CE3 3.98Å; I74-W100 HydrophobicContact CD1-CZ3 3.95Å; I74-K102 HydrophobicContact CG1-CB 4.21Å; I74-P103 PolarHBondContact N-O 3.38Å; I74-L104 HydrophobicContact CB-CD1 3.92Å; I74-L104 HydrophobicContact CG2-CD1 3.78Å; I74-L104 CarbonylContact O-C 3.54Å; I74-L104 WeakPolarHBondContact O-CA 3.48Å; I74-V105 PolarHBondContact O-N 2.82Å |
| 75 | A | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 141.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | V4 L5 G6 F7 V105 V107 I299 | V4-A75 HydrophobicContact CG1-CB 3.71Å; L5-A75 PolarHBondContact O-N 3.38Å; G6-A75 CarbonylContact C-O 3.58Å; G6-A75 VanDerWaalsContact CA-O 3.31Å; G6-A75 WeakPolarHBondContact CA-O 3.49Å; F7-A75 PolarHBondContact N-O 2.94Å; A75-V105 WeakPolarHBondContact CA-O 3.4Å; A75-V107 HydrophobicContact CB-CG2 4.02Å; A75-I299 HydrophobicContact CB-CG2 3.98Å; A75-I299 WeakPolarHBondContact CB-O 3.26Å |
| 76 | Y | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 157.5 | 175.7 | 76.5 | -71.5 | 0 | 0 | 0 | 110.7 | F7 K78 A90 A93 L104 V105 G106 V107 S318 V320 | F7-Y76 WeakPolarHBondContact O-CA 3.39Å; Y76-K78 HydrophobicContact CE2-CB 4.44Å; Y76-K78 PolarHBondContact O-N 3.22Å; Y76-K78 VanDerWaalsContact O-N 3.15Å; Y76-A90 HydrophobicContact CD2-CB 3.71Å; Y76-A90 HydrophobicContact CE2-CB 3.69Å; Y76-A93 HydrophobicContact CD1-CB 4.33Å; Y76-A93 HydrophobicContact CG-CB 3.95Å; Y76-L104 HydrophobicContact CD1-CD1 3.63Å; Y76-L104 HydrophobicContact CD1-CD2 4.24Å; Y76-L104 HydrophobicContact CD1-CG 3.93Å; Y76-L104 HydrophobicContact CE1-CD1 4Å; Y76-L104 HydrophobicContact CE1-CD2 3.76Å; Y76-L104 HydrophobicContact CE1-CG 3.76Å; Y76-V105 WeakPolarHBondContact CD1-O 3.33Å; Y76-V105 PolarHBondContact N-O 2.76Å; Y76-G106 VanDerWaalsContact CE1-CA 3.45Å; Y76-V107 PolarHBondContact O-N 2.93Å; Y76-S318 VanDerWaalsContact OH-CA 3.26Å; Y76-S318 WeakPolarHBondContact OH-CA 3.09Å; Y76-S318 WeakPolarHBondContact OH-CB 3.46Å; Y76-S318 PolarHBondContact OH-O 3.06Å; Y76-V320 HydrophobicContact CE2-CG1 4.14Å |
| 77 | T | 98.9 | Very high | 98.5 | Very high | 2 Ų | 2 | 29.3 Ų | 29.3 | 1% | 0.012 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 110.6 | 176.3 | -48.9 | 0 | 0 | 0 | 0 | 110.3 | F7 E8 L86 H109 I299 | F7-T77 PolarHBondContact O-N 3.16Å; F7-T77 VanDerWaalsContact O-N 3.08Å; F7-T77 PolarHBondContact O-OG1 3.02Å; E8-T77 PolarHBondContact OE2-OG1 3.07Å; T77-L86 HydrophobicContact CG2-CD2 3.9Å; T77-H109 HydrophobicContact CG2-CB 3.74Å; T77-I299 WeakPolarHBondContact OG1-CD1 3.43Å; T77-I299 WeakPolarHBondContact OG1-CG1 3.42Å |
| 78 | K | 98.9 | Very high | 98.6 | Very high | 24 Ų | 24 | 26 Ų | 26 | 10% | 0.104 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | -35.4 | 172.9 | -161.2 | 173.8 | -171.6 | 177.2 | 0 | 110.5 | Y76 V107 D317 G319 V320 T321 Y324 | Y76-K78 HydrophobicContact CE2-CB 4.44Å; Y76-K78 PolarHBondContact O-N 3.22Å; Y76-K78 VanDerWaalsContact O-N 3.15Å; K78-V107 PolarHBondContact N-O 2.78Å; K78-D317 WeakPolarHBondContact CE-O 3.45Å; K78-D317 PolarHBondContact NZ-O 2.93Å; K78-D317 IonicContact NZ-OD2 2.78Å; K78-D317 PolarHBondContact NZ-OD2 3.26Å; K78-D317 VanDerWaalsContact NZ-OD2 3.13Å; K78-G319 WeakPolarHBondContact CE-O 3.35Å; K78-G319 WeakPolarHBondContact CG-O 3.27Å; K78-V320 CarbonylContact O-C 3.48Å; K78-V320 VanDerWaalsContact O-CA 3.27Å; K78-V320 WeakPolarHBondContact O-CA 3.31Å; K78-V320 WeakPolarHBondContact O-CB 3.27Å; K78-T321 PolarHBondContact O-N 3.37Å; K78-Y324 HydrophobicContact CB-CD1 4.4Å; K78-Y324 HydrophobicContact CB-CE1 4.26Å; K78-Y324 HydrophobicContact CD-CE1 4.46Å |
| 79 | G | 98.6 | Very high | 98.6 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 162.8 | -178.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | N108 H109 T321 | G79-N108 CarbonylContact O-C 3.56Å; G79-N108 WeakPolarHBondContact O-CA 3.44Å; G79-H109 PolarHBondContact O-N 3.45Å; G79-T321 VanDerWaalsContact CA-O 3.29Å; G79-T321 WeakPolarHBondContact CA-O 3.23Å |
| 80 | P | 98.7 | Very high | 98.8 | Very high | 17 Ų | 17 | 18.6 Ų | 18.6 | 11% | 0.11 | 12% | 0.118 | C | C | . | . | S | Bend | cis | -72.3 | 175.9 | -8.1 | 30.9 | -35.8 | 0 | 0 | 0 | 112 | Q322 Y324 | P80-Q322 WeakPolarHBondContact CA-O 3.35Å; P80-Q322 VanDerWaalsContact CB-O 3.23Å; P80-Q322 WeakPolarHBondContact CB-O 3.3Å; P80-Y324 WeakPolarHBondContact CD-O 3.41Å |
| 81 | G | 98.2 | Very high | 98.8 | Very high | 25 Ų | 25 | 18.1 Ų | 18.1 | 26% | 0.258 | 12% | 0.118 | S | C | . | . | S | Bend | trans | 153.6 | -175.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q322 | G81-Q322 PolarHBondContact N-O 3.37Å; G81-Q322 WeakPolarHBondContact O-CA 3.23Å; G81-Q322 WeakPolarHBondContact O-CB 3.28Å; G81-Q322 WeakPolarHBondContact O-CG 3.27Å |
| 82 | M | 98.5 | Very high | 98.8 | Very high | 34 Ų | 34 | 19.1 Ų | 19.1 | 17% | 0.167 | 12% | 0.124 | C | C | . | . | trans | -71.5 | 130.2 | 177.5 | -70.2 | -172.5 | -82.6 | 0 | 0 | 111.1 | S10 A11 F40 P42 T45 A84 P85 L86 | S10-M82 PolarHBondContact O-N 2.76Å; A11-M82 VanDerWaalsContact CA-CE 3.44Å; A11-M82 HydrophobicContact CB-CE 4.48Å; A11-M82 WeakPolarHBondContact O-CE 3.44Å; F40-M82 HydrophobicContact CD2-CE 3.53Å; F40-M82 HydrophobicContact CD2-SD 3.99Å; F40-M82 HydrophobicContact CE2-CE 3.29Å; F40-M82 HydrophobicContact CE2-SD 3.91Å; F40-M82 HydrophobicContact CZ-CE 4.45Å; P42-M82 HydrophobicContact CB-SD 4.34Å; P42-M82 HydrophobicContact CG-CG 4.47Å; P42-M82 HydrophobicContact CG-SD 3.96Å; T45-M82 HydrophobicContact CG2-CE 4.13Å; M82-A84 PolarHBondContact O-N 3.05Å; M82-P85 HydrophobicContact CB-CB 4.4Å; M82-P85 HydrophobicContact CB-CG 3.79Å; M82-P85 HydrophobicContact CE-CG 4.31Å; M82-P85 WeakPolarHBondContact O-CD 3.41Å; M82-L86 WeakPolarHBondContact O-CB 3.38Å; M82-L86 VanDerWaalsContact O-CG 3.3Å; M82-L86 WeakPolarHBondContact O-CG 3.45Å; M82-L86 PolarHBondContact O-N 3.25Å | ||
| 83 | G | 98.7 | Very high | 98.8 | Very high | 17 Ų | 17 | 16.1 Ų | 16.1 | 18% | 0.175 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -55.6 | -54.6 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | L86 V87 Q322 | G83-L86 PolarHBondContact O-N 2.88Å; G83-V87 WeakPolarHBondContact O-CG2 3.29Å; G83-V87 PolarHBondContact O-N 2.62Å; G83-Q322 VanDerWaalsContact N-OE1 3.09Å |
| 84 | A | 98.7 | Very high | 98.8 | Very high | 43 Ų | 43 | 19.1 Ų | 19.1 | 36% | 0.355 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -65.1 | -42.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | P42 A46 M82 S88 | P42-A84 HydrophobicContact CB-CB 4.46Å; A46-A84 HydrophobicContact CB-CB 3.76Å; M82-A84 PolarHBondContact O-N 3.05Å; A84-S88 PolarHBondContact O-N 2.8Å; A84-S88 VanDerWaalsContact O-N 3.13Å; A84-S88 PolarHBondContact O-OG 3.05Å |
| 85 | P | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -58.5 | -50.6 | 169.2 | -30.3 | 39.1 | 0 | 0 | 0 | 113.5 | G9 T45 A46 M82 V87 S88 V89 | G9-P85 CarbonylContact O-C 3.32Å; G9-P85 WeakPolarHBondContact O-CB 3.34Å; T45-P85 HydrophobicContact CG2-CB 4.48Å; T45-P85 HydrophobicContact CG2-CG 3.86Å; A46-P85 HydrophobicContact CB-CG 4.25Å; M82-P85 HydrophobicContact CB-CB 4.4Å; M82-P85 HydrophobicContact CB-CG 3.79Å; M82-P85 HydrophobicContact CE-CG 4.31Å; M82-P85 WeakPolarHBondContact O-CD 3.41Å; P85-V87 VanDerWaalsContact C-N 3.34Å; P85-V87 PolarHBondContact O-N 2.73Å; P85-S88 WeakPolarHBondContact O-CB 3.34Å; P85-S88 PolarHBondContact O-N 3.13Å; P85-V89 PolarHBondContact O-N 3Å; P85-V89 VanDerWaalsContact O-N 3.07Å |
| 86 | L | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -55.1 | -47.4 | 178.9 | -77.2 | 173.9 | 0 | 0 | 0 | 112.1 | T77 M82 G83 S88 V89 A90 V320 | T77-L86 HydrophobicContact CG2-CD2 3.9Å; M82-L86 WeakPolarHBondContact O-CB 3.38Å; M82-L86 VanDerWaalsContact O-CG 3.3Å; M82-L86 WeakPolarHBondContact O-CG 3.45Å; M82-L86 PolarHBondContact O-N 3.25Å; G83-L86 PolarHBondContact O-N 2.88Å; L86-S88 VanDerWaalsContact C-N 3.33Å; L86-S88 PolarHBondContact O-N 3.26Å; L86-V89 PolarHBondContact O-N 2.82Å; L86-A90 WeakPolarHBondContact O-CB 3.22Å; L86-A90 PolarHBondContact O-N 2.86Å; L86-V320 HydrophobicContact CB-CB 4.02Å; L86-V320 HydrophobicContact CB-CG1 4.1Å; L86-V320 HydrophobicContact CB-CG2 4.08Å |
| 87 | V | 98.9 | Very high | 98.8 | Very high | 75 Ų | 75 | 23.2 Ų | 23.2 | 46% | 0.455 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -60.3 | -44.8 | 177.2 | 172.3 | 0 | 0 | 0 | 0 | 110.9 | G83 P85 V89 A90 V91 V320 | G83-V87 WeakPolarHBondContact O-CG2 3.29Å; G83-V87 PolarHBondContact O-N 2.62Å; P85-V87 VanDerWaalsContact C-N 3.34Å; P85-V87 PolarHBondContact O-N 2.73Å; V87-V89 VanDerWaalsContact C-N 3.28Å; V87-V89 PolarHBondContact O-N 3.22Å; V87-A90 PolarHBondContact O-N 3.13Å; V87-V91 HydrophobicContact CG1-CG1 4.36Å; V87-V91 WeakPolarHBondContact O-CG1 3.34Å; V87-V91 WeakPolarHBondContact O-CG2 3.17Å; V87-V91 PolarHBondContact O-N 3.24Å; V87-V320 HydrophobicContact CG2-CG2 3.6Å |
| 88 | S | 98.9 | Very high | 98.8 | Very high | 10 Ų | 10 | 28.5 Ų | 28.5 | 7% | 0.07 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.4 | -36.1 | -178.2 | -59.8 | 0 | 0 | 0 | 0 | 112.3 | R50 A84 P85 L86 V91 | R50-S88 PolarHBondContact NH1-OG 3.25Å; R50-S88 VanDerWaalsContact NH1-OG 3.17Å; A84-S88 PolarHBondContact O-N 2.8Å; A84-S88 VanDerWaalsContact O-N 3.13Å; A84-S88 PolarHBondContact O-OG 3.05Å; P85-S88 WeakPolarHBondContact O-CB 3.34Å; P85-S88 PolarHBondContact O-N 3.13Å; L86-S88 VanDerWaalsContact C-N 3.33Å; L86-S88 PolarHBondContact O-N 3.26Å; S88-V91 WeakPolarHBondContact O-CG2 3.34Å |
| 89 | V | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.006 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -76.1 | -46.2 | 176.2 | 177.7 | 0 | 0 | 0 | 0 | 111.6 | F7 I14 I53 P85 L86 V87 V91 V92 A93 | F7-V89 HydrophobicContact CB-CG1 3.55Å; I14-V89 HydrophobicContact CD1-CG2 3.75Å; I53-V89 HydrophobicContact CD1-CB 4.35Å; I53-V89 HydrophobicContact CD1-CG1 4.31Å; I53-V89 HydrophobicContact CD1-CG2 4.12Å; P85-V89 PolarHBondContact O-N 3Å; P85-V89 VanDerWaalsContact O-N 3.07Å; L86-V89 PolarHBondContact O-N 2.82Å; V87-V89 VanDerWaalsContact C-N 3.28Å; V87-V89 PolarHBondContact O-N 3.22Å; V89-V91 VanDerWaalsContact C-N 3.29Å; V89-V91 PolarHBondContact O-N 3.29Å; V89-V92 PolarHBondContact O-N 3.49Å; V89-V92 VanDerWaalsContact O-N 3.09Å; V89-A93 PolarHBondContact O-N 3.06Å |
| 90 | A | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.008 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.6 | -37.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y76 L86 V87 V92 A93 R94 V320 | Y76-A90 HydrophobicContact CD2-CB 3.71Å; Y76-A90 HydrophobicContact CE2-CB 3.69Å; L86-A90 WeakPolarHBondContact O-CB 3.22Å; L86-A90 PolarHBondContact O-N 2.86Å; V87-A90 PolarHBondContact O-N 3.13Å; A90-V92 VanDerWaalsContact C-N 3.32Å; A90-V92 PolarHBondContact O-N 2.95Å; A90-A93 PolarHBondContact O-N 2.85Å; A90-R94 WeakPolarHBondContact O-CB 3.44Å; A90-R94 WeakPolarHBondContact O-CG 3.35Å; A90-R94 PolarHBondContact O-N 3.38Å; A90-V320 HydrophobicContact CB-CG1 3.51Å |
| 91 | V | 98.9 | Very high | 98.8 | Very high | 68 Ų | 68 | 42 Ų | 42 | 41% | 0.412 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64 | -36.6 | 176.6 | -64.3 | 0 | 0 | 0 | 0 | 112.3 | V87 S88 V89 T95 | V87-V91 HydrophobicContact CG1-CG1 4.36Å; V87-V91 WeakPolarHBondContact O-CG1 3.34Å; V87-V91 WeakPolarHBondContact O-CG2 3.17Å; V87-V91 PolarHBondContact O-N 3.24Å; S88-V91 WeakPolarHBondContact O-CG2 3.34Å; V89-V91 VanDerWaalsContact C-N 3.29Å; V89-V91 PolarHBondContact O-N 3.29Å; V91-T95 WeakPolarHBondContact O-CB 3.33Å; V91-T95 PolarHBondContact O-N 3.48Å; V91-T95 PolarHBondContact O-OG1 3.42Å |
| 92 | V | 98.9 | Very high | 98.8 | Very high | 21 Ų | 21 | 42.6 Ų | 42.6 | 13% | 0.127 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -68.3 | -49.2 | 175.7 | 174.9 | 0 | 0 | 0 | 0 | 110.4 | F7 I53 L54 V89 A90 R94 T95 V96 | F7-V92 HydrophobicContact CE1-CG1 3.97Å; F7-V92 HydrophobicContact CZ-CG1 4.44Å; I53-V92 HydrophobicContact CD1-CB 3.88Å; I53-V92 HydrophobicContact CD1-CG1 4.11Å; I53-V92 HydrophobicContact CD1-CG2 3.9Å; I53-V92 HydrophobicContact CG1-CG1 4.35Å; I53-V92 HydrophobicContact CG2-CG2 4Å; L54-V92 HydrophobicContact CD2-CG1 3.95Å; L54-V92 HydrophobicContact CD2-CG2 4.44Å; V89-V92 PolarHBondContact O-N 3.49Å; V89-V92 VanDerWaalsContact O-N 3.09Å; A90-V92 VanDerWaalsContact C-N 3.32Å; A90-V92 PolarHBondContact O-N 2.95Å; V92-R94 PolarHBondContact O-N 2.86Å; V92-T95 WeakPolarHBondContact O-CB 3.27Å; V92-T95 PolarHBondContact O-N 3.34Å; V92-V96 PolarHBondContact O-N 3.08Å |
| 93 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.3 | -45.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | F7 I74 Y76 V89 A90 T95 V96 A97 L104 | F7-A93 HydrophobicContact CD2-CB 3.96Å; F7-A93 HydrophobicContact CE2-CB 4.39Å; F7-A93 HydrophobicContact CG-CB 4.33Å; I74-A93 HydrophobicContact CG2-CB 4.04Å; Y76-A93 HydrophobicContact CD1-CB 4.33Å; Y76-A93 HydrophobicContact CG-CB 3.95Å; V89-A93 PolarHBondContact O-N 3.06Å; A90-A93 PolarHBondContact O-N 2.85Å; A93-T95 VanDerWaalsContact C-N 3.31Å; A93-T95 PolarHBondContact O-N 3.49Å; A93-V96 VanDerWaalsContact O-CG2 3.25Å; A93-V96 WeakPolarHBondContact O-CG2 3.41Å; A93-A97 VanDerWaalsContact O-CB 3.3Å; A93-A97 WeakPolarHBondContact O-CB 3.48Å; A93-A97 PolarHBondContact O-N 2.93Å; A93-L104 HydrophobicContact CB-CD1 4.25Å |
| 94 | R | 98.9 | Very high | 98.8 | Very high | 62 Ų | 62 | 42.9 Ų | 42.9 | 23% | 0.234 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.7 | -38.1 | 174.8 | -69 | 169.9 | -165.2 | 175.1 | 2.3 | 112.2 | A90 V92 Q98 L104 L315 S318 | A90-R94 WeakPolarHBondContact O-CB 3.44Å; A90-R94 WeakPolarHBondContact O-CG 3.35Å; A90-R94 PolarHBondContact O-N 3.38Å; V92-R94 PolarHBondContact O-N 2.86Å; R94-Q98 WeakPolarHBondContact O-CG 3.33Å; R94-Q98 PolarHBondContact O-N 2.94Å; R94-Q98 VanDerWaalsContact O-N 3.1Å; R94-Q98 PolarHBondContact O-NE2 3.41Å; R94-L104 HydrophobicContact CG-CD2 3.77Å; R94-L315 HydrophobicContact CB-CD2 4.02Å; R94-L315 HydrophobicContact CG-CD2 3.97Å; R94-S318 WeakPolarHBondContact CD-OG 3.48Å; R94-S318 VanDerWaalsContact CZ-OG 3.31Å; R94-S318 PolarHBondContact NE-OG 3.06Å; R94-S318 VanDerWaalsContact NH2-C 3.26Å; R94-S318 PolarHBondContact NH2-O 2.99Å |
| 95 | T | 98.9 | Very high | 98.8 | Very high | 71 Ų | 71 | 40.8 Ų | 40.8 | 44% | 0.436 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -67.8 | -48.1 | -178.6 | -59.6 | 0 | 0 | 0 | 0 | 110.7 | V91 V92 A93 A97 Q98 L99 | V91-T95 WeakPolarHBondContact O-CB 3.33Å; V91-T95 PolarHBondContact O-N 3.48Å; V91-T95 PolarHBondContact O-OG1 3.42Å; V92-T95 WeakPolarHBondContact O-CB 3.27Å; V92-T95 PolarHBondContact O-N 3.34Å; A93-T95 VanDerWaalsContact C-N 3.31Å; A93-T95 PolarHBondContact O-N 3.49Å; T95-A97 VanDerWaalsContact C-N 3.34Å; T95-A97 PolarHBondContact O-N 2.85Å; T95-Q98 PolarHBondContact O-N 3.27Å; T95-L99 HydrophobicContact CG2-CD1 3.89Å; T95-L99 HydrophobicContact CG2-CG 4.33Å; T95-L99 WeakPolarHBondContact O-CB 3.36Å; T95-L99 WeakPolarHBondContact O-CG 3.36Å; T95-L99 PolarHBondContact O-N 3.12Å |
| 96 | V | 98.8 | Very high | 98.8 | Very high | 11 Ų | 11 | 40.9 Ų | 40.9 | 7% | 0.067 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66 | -37.2 | 178.1 | -59.6 | 0 | 0 | 0 | 0 | 112.1 | F7 L57 I74 V92 A93 Q98 L99 W100 | F7-V96 HydrophobicContact CE2-CG2 3.98Å; F7-V96 HydrophobicContact CZ-CG2 4Å; L57-V96 HydrophobicContact CD2-CG1 3.81Å; I74-V96 HydrophobicContact CD1-CG2 4.06Å; I74-V96 HydrophobicContact CG1-CG2 4.19Å; I74-V96 HydrophobicContact CG2-CG2 4.03Å; V92-V96 PolarHBondContact O-N 3.08Å; A93-V96 VanDerWaalsContact O-CG2 3.25Å; A93-V96 WeakPolarHBondContact O-CG2 3.41Å; V96-Q98 VanDerWaalsContact C-N 3.34Å; V96-Q98 PolarHBondContact O-N 2.84Å; V96-L99 PolarHBondContact O-N 3.45Å; V96-W100 HydrophobicContact CB-CD2 4.31Å; V96-W100 HydrophobicContact CB-CE3 4.28Å; V96-W100 HydrophobicContact CB-CH2 4.24Å; V96-W100 HydrophobicContact CB-CZ2 4.27Å; V96-W100 HydrophobicContact CB-CZ3 4.25Å; V96-W100 HydrophobicContact CG1-CH2 4.46Å; V96-W100 HydrophobicContact CG1-CZ2 4.34Å; V96-W100 WeakPolarHBondContact O-CB 3.3Å; V96-W100 PolarHBondContact O-N 3.07Å |
| 97 | A | 98.9 | Very high | 98.9 | Very high | 4 Ų | 4 | 40.9 Ų | 40.9 | 3% | 0.033 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.7 | -44.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | I74 A93 T95 N101 K102 L104 | I74-A97 HydrophobicContact CB-CB 4.18Å; I74-A97 HydrophobicContact CG1-CB 3.91Å; A93-A97 VanDerWaalsContact O-CB 3.3Å; A93-A97 WeakPolarHBondContact O-CB 3.48Å; A93-A97 PolarHBondContact O-N 2.93Å; T95-A97 VanDerWaalsContact C-N 3.34Å; T95-A97 PolarHBondContact O-N 2.85Å; A97-N101 CarbonylContact O-C 3.58Å; A97-N101 WeakPolarHBondContact O-CA 3.26Å; A97-N101 PolarHBondContact O-N 2.8Å; A97-K102 PolarHBondContact O-N 3.35Å; A97-L104 HydrophobicContact CB-CB 4.3Å; A97-L104 HydrophobicContact CB-CD1 4.15Å |
| 98 | Q | 98.9 | Very high | 98.9 | Very high | 114 Ų | 114 | 37.3 Ų | 37.3 | 53% | 0.533 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -68.7 | -46.7 | 177.3 | -73.8 | 168.7 | 100.4 | 0 | 0 | 112.5 | R94 T95 V96 W100 N101 L315 | R94-Q98 WeakPolarHBondContact O-CG 3.33Å; R94-Q98 PolarHBondContact O-N 2.94Å; R94-Q98 VanDerWaalsContact O-N 3.1Å; R94-Q98 PolarHBondContact O-NE2 3.41Å; T95-Q98 PolarHBondContact O-N 3.27Å; V96-Q98 VanDerWaalsContact C-N 3.34Å; V96-Q98 PolarHBondContact O-N 2.84Å; Q98-W100 VanDerWaalsContact C-N 3.3Å; Q98-W100 PolarHBondContact O-N 2.86Å; Q98-N101 PolarHBondContact O-N 3.17Å; Q98-L315 HydrophobicContact CG-CD1 3.67Å; Q98-L315 HydrophobicContact CG-CD2 4.34Å |
| 99 | L | 98.8 | Very high | 98.9 | Very high | 131 Ų | 131 | 37.1 Ų | 37.1 | 69% | 0.686 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -61.5 | -38.4 | -179.2 | -74.3 | 173.5 | 0 | 0 | 0 | 112.5 | T95 V96 | T95-L99 HydrophobicContact CG2-CD1 3.89Å; T95-L99 HydrophobicContact CG2-CG 4.33Å; T95-L99 WeakPolarHBondContact O-CB 3.36Å; T95-L99 WeakPolarHBondContact O-CG 3.36Å; T95-L99 PolarHBondContact O-N 3.12Å; V96-L99 PolarHBondContact O-N 3.45Å |
| 100 | W | 98.7 | Very high | 98.8 | Very high | 45 Ų | 45 | 37.1 Ų | 37.1 | 17% | 0.17 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 0.9 | -178.4 | -54.7 | -17.5 | 0 | 0 | 0 | 112.9 | L5 L57 L61 S68 I71 I74 V96 Q98 K102 | L5-W100 HydrophobicContact CD2-CH2 4.02Å; L5-W100 HydrophobicContact CD2-CZ3 3.73Å; L57-W100 HydrophobicContact CD1-CH2 4.23Å; L61-W100 HydrophobicContact CD1-CH2 4Å; L61-W100 HydrophobicContact CD1-CZ2 4.33Å; L61-W100 HydrophobicContact CD2-CH2 4.41Å; S68-W100 VanDerWaalsContact CB-CD2 3.44Å; S68-W100 VanDerWaalsContact CB-CE2 3.41Å; I71-W100 HydrophobicContact CG1-CZ3 4.5Å; I74-W100 HydrophobicContact CD1-CE3 3.98Å; I74-W100 HydrophobicContact CD1-CZ3 3.95Å; V96-W100 HydrophobicContact CB-CD2 4.31Å; V96-W100 HydrophobicContact CB-CE3 4.28Å; V96-W100 HydrophobicContact CB-CH2 4.24Å; V96-W100 HydrophobicContact CB-CZ2 4.27Å; V96-W100 HydrophobicContact CB-CZ3 4.25Å; V96-W100 HydrophobicContact CG1-CH2 4.46Å; V96-W100 HydrophobicContact CG1-CZ2 4.34Å; V96-W100 WeakPolarHBondContact O-CB 3.3Å; V96-W100 PolarHBondContact O-N 3.07Å; Q98-W100 VanDerWaalsContact C-N 3.3Å; Q98-W100 PolarHBondContact O-N 2.86Å; W100-K102 VanDerWaalsContact C-N 3.29Å; W100-K102 HydrophobicContact CB-CG 3.76Å; W100-K102 WeakPolarHBondContact O-CG 3.33Å; W100-K102 PolarHBondContact O-N 3.41Å |
| 101 | N | 98.6 | Very high | 98.8 | Very high | 148 Ų | 148 | 37.1 Ų | 37.1 | 79% | 0.791 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | 48.6 | -174.5 | -169.8 | 38.4 | 0 | 0 | 0 | 112.4 | A97 Q98 | A97-N101 CarbonylContact O-C 3.58Å; A97-N101 WeakPolarHBondContact O-CA 3.26Å; A97-N101 PolarHBondContact O-N 2.8Å; Q98-N101 PolarHBondContact O-N 3.17Å |
| 102 | K | 98.7 | Very high | 98.8 | Very high | 38 Ų | 38 | 33.9 Ų | 33.9 | 17% | 0.165 | 17% | 0.174 | C | C | . | . | trans | -110.4 | 146.3 | -179.6 | -58.8 | -58.8 | -178.8 | 153.4 | 0 | 110.7 | S68 Q69 I71 I74 A97 W100 | S68-K102 WeakPolarHBondContact O-CE 3.47Å; Q69-K102 PolarHBondContact O-NZ 2.88Å; I71-K102 WeakPolarHBondContact O-CD 3.49Å; I71-K102 WeakPolarHBondContact O-CE 3.47Å; I71-K102 PolarHBondContact O-NZ 3.07Å; I74-K102 HydrophobicContact CG1-CB 4.21Å; A97-K102 PolarHBondContact O-N 3.35Å; W100-K102 VanDerWaalsContact C-N 3.29Å; W100-K102 HydrophobicContact CB-CG 3.76Å; W100-K102 WeakPolarHBondContact O-CG 3.33Å; W100-K102 PolarHBondContact O-N 3.41Å | ||
| 103 | P | 98.7 | Very high | 98.8 | Very high | 46 Ų | 46 | 33.1 Ų | 33.1 | 30% | 0.299 | 17% | 0.169 | S | C | . | . | trans | -62.3 | 152.4 | 174.4 | 24.6 | -31.2 | 0 | 0 | 0 | 111.6 | D72 C73 I74 F307 | D72-P103 VanDerWaalsContact O-CD 3.27Å; D72-P103 WeakPolarHBondContact O-CD 3.35Å; D72-P103 VanDerWaalsContact O-CG 3.28Å; D72-P103 WeakPolarHBondContact O-CG 3.35Å; C73-P103 HydrophobicContact CB-CG 4.32Å; C73-P103 PolarHBondContact SG-O 3.01Å; I74-P103 PolarHBondContact N-O 3.38Å; P103-F307 HydrophobicContact CB-CE2 4.26Å; P103-F307 HydrophobicContact CG-CD2 4.33Å; P103-F307 HydrophobicContact CG-CE2 3.53Å; P103-F307 HydrophobicContact CG-CZ 4.28Å | ||
| 104 | L | 98.9 | Very high | 98.8 | Very high | 10 Ų | 10 | 33.1 Ų | 33.1 | 5% | 0.052 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 140.4 | 178.8 | -172.6 | 70.6 | 0 | 0 | 0 | 109.9 | I74 Y76 A93 R94 A97 T313 L315 | I74-L104 HydrophobicContact CB-CD1 3.92Å; I74-L104 HydrophobicContact CG2-CD1 3.78Å; I74-L104 CarbonylContact O-C 3.54Å; I74-L104 WeakPolarHBondContact O-CA 3.48Å; Y76-L104 HydrophobicContact CD1-CD1 3.63Å; Y76-L104 HydrophobicContact CD1-CD2 4.24Å; Y76-L104 HydrophobicContact CD1-CG 3.93Å; Y76-L104 HydrophobicContact CE1-CD1 4Å; Y76-L104 HydrophobicContact CE1-CD2 3.76Å; Y76-L104 HydrophobicContact CE1-CG 3.76Å; A93-L104 HydrophobicContact CB-CD1 4.25Å; R94-L104 HydrophobicContact CG-CD2 3.77Å; A97-L104 HydrophobicContact CB-CB 4.3Å; A97-L104 HydrophobicContact CB-CD1 4.15Å; L104-T313 PolarHBondContact O-N 3Å; L104-L315 HydrophobicContact CD2-CD2 4.19Å |
| 105 | V | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 121.3 | 174 | 175.1 | 0 | 0 | 0 | 0 | 109.6 | C73 I74 A75 Y76 V107 M306 F307 | C73-V105 VanDerWaalsContact SG-CG2 3.58Å; I74-V105 PolarHBondContact O-N 2.82Å; A75-V105 WeakPolarHBondContact CA-O 3.4Å; Y76-V105 WeakPolarHBondContact CD1-O 3.33Å; Y76-V105 PolarHBondContact N-O 2.76Å; V105-V107 HydrophobicContact CG1-CG2 4.01Å; V105-M306 HydrophobicContact CG1-CB 3.92Å; V105-M306 HydrophobicContact CG1-CE 3.86Å; V105-M306 HydrophobicContact CG1-SD 3.95Å; V105-F307 HydrophobicContact CG2-CB 4.43Å |
| 106 | G | 98.9 | Very high | 98.8 | Very high | 2 Ų | 2 | 27 Ų | 27 | 2% | 0.021 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 113.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y76 T313 | Y76-G106 VanDerWaalsContact CE1-CA 3.45Å; G106-T313 PolarHBondContact N-OG1 2.9Å |
| 107 | V | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 140.1 | -172.5 | 177.8 | 0 | 0 | 0 | 0 | 110.6 | A75 Y76 K78 V105 I299 A302 M306 | A75-V107 HydrophobicContact CB-CG2 4.02Å; Y76-V107 PolarHBondContact O-N 2.93Å; K78-V107 PolarHBondContact N-O 2.78Å; V105-V107 HydrophobicContact CG1-CG2 4.01Å; V107-I299 HydrophobicContact CB-CD1 4.41Å; V107-I299 HydrophobicContact CB-CG2 4.09Å; V107-I299 HydrophobicContact CG1-CD1 3.99Å; V107-I299 HydrophobicContact CG1-CG2 4.47Å; V107-I299 HydrophobicContact CG2-CG2 4.11Å; V107-A302 HydrophobicContact CG1-CB 3.64Å; V107-M306 HydrophobicContact CG2-SD 4.08Å |
| 108 | N | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 126.2 | 167.6 | -178.8 | -71.3 | 0 | 0 | 0 | 109.8 | G79 C110 I111 G112 Y324 R325 V329 | G79-N108 CarbonylContact O-C 3.56Å; G79-N108 WeakPolarHBondContact O-CA 3.44Å; N108-C110 VanDerWaalsContact C-N 3.3Å; N108-C110 PolarHBondContact O-N 2.87Å; N108-C110 WeakPolarHBondContact OD1-CA 3.48Å; N108-C110 WeakPolarHBondContact OD1-CB 3.17Å; N108-C110 PolarHBondContact OD1-N 3.3Å; N108-I111 HydrophobicContact CB-CB 4.18Å; N108-I111 HydrophobicContact CB-CD1 4.06Å; N108-I111 HydrophobicContact CB-CG1 4.05Å; N108-I111 PolarHBondContact O-N 3.49Å; N108-I111 VanDerWaalsContact O-N 3.13Å; N108-I111 PolarHBondContact OD1-N 2.94Å; N108-G112 PolarHBondContact O-N 2.83Å; N108-Y324 HydrophobicContact CB-CD1 3.76Å; N108-Y324 HydrophobicContact CB-CE1 3.62Å; N108-Y324 VanDerWaalsContact ND2-CD1 3.29Å; N108-Y324 WeakPolarHBondContact ND2-CD1 2.96Å; N108-Y324 PolarHBondContact ND2-O 2.85Å; N108-R325 PolarHBondContact ND2-O 3.47Å; N108-V329 HydrophobicContact CB-CG2 3.71Å |
| 109 | H | 98.9 | Very high | 98.7 | Very high | 5 Ų | 5 | 25.9 Ų | 25.9 | 2% | 0.023 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -57 | -40.2 | -176.7 | 176.4 | 80.9 | 0 | 0 | 0 | 113 | E8 S10 T77 G79 G112 H113 Y130 D294 M298 | E8-H109 IonicContact OE1-CE1 2.97Å; E8-H109 IonicContact OE1-ND1 2.62Å; E8-H109 IonicContact OE2-CE1 3.35Å; E8-H109 IonicContact OE2-ND1 3.14Å; E8-H109 PolarHBondContact OE2-ND1 3.45Å; S10-H109 PolarHBondContact OG-CE1 3.26Å; S10-H109 PolarHBondContact OG-ND1 3.11Å; T77-H109 HydrophobicContact CG2-CB 3.74Å; G79-H109 PolarHBondContact O-N 3.45Å; H109-G112 PolarHBondContact O-N 2.8Å; H109-H113 AromaticContact CD2-CD2 3.96Å; H109-H113 AromaticContact CE1-CD2 3.84Å; H109-H113 AromaticContact CE1-NE2 3.59Å; H109-H113 AromaticContact NE2-CD2 3.47Å; H109-H113 PolarHBondContact NE2-CD2 3.04Å; H109-H113 AromaticContact NE2-NE2 3.41Å; H109-H113 PolarHBondContact NE2-NE2 3.43Å; H109-H113 PolarHBondContact O-N 2.89Å; H109-Y130 PolarHBondContact CD2-OH 3.42Å; H109-Y130 PolarHBondContact NE2-OH 2.82Å; H109-D294 IonicContact CE1-OD1 3.15Å; H109-D294 PolarHBondContact CE1-OD1 3.18Å; H109-D294 VanDerWaalsContact CE1-OD1 3.31Å; H109-D294 IonicContact NE2-OD1 2.75Å; H109-M298 WeakPolarHBondContact CE1-CE 3.37Å; H109-M298 VanDerWaalsContact ND1-CE 3.33Å; H109-M298 WeakPolarHBondContact ND1-CE 3.47Å |
| 110 | C | 98.7 | Very high | 98.7 | Very high | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.007 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -66.3 | -41.8 | 179.8 | -47.4 | 0 | 0 | 0 | 0 | 110.3 | N108 G112 H113 I114 Y130 T326 | N108-C110 VanDerWaalsContact C-N 3.3Å; N108-C110 PolarHBondContact O-N 2.87Å; N108-C110 WeakPolarHBondContact OD1-CA 3.48Å; N108-C110 WeakPolarHBondContact OD1-CB 3.17Å; N108-C110 PolarHBondContact OD1-N 3.3Å; C110-G112 VanDerWaalsContact C-N 3.32Å; C110-G112 PolarHBondContact O-N 3.03Å; C110-H113 WeakPolarHBondContact O-CB 3.39Å; C110-H113 PolarHBondContact O-N 2.61Å; C110-I114 WeakPolarHBondContact O-CG1 3.33Å; C110-I114 PolarHBondContact O-N 3.2Å; C110-Y130 HydrophobicContact CB-CD1 4Å; C110-Y130 HydrophobicContact CB-CE1 3.8Å; C110-Y130 WeakPolarHBondContact SG-CE1 3.29Å; C110-T326 HydrophobicContact CB-CG2 4.06Å; C110-T326 WeakPolarHBondContact CB-OG1 3.08Å |
| 111 | I | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 21.9 Ų | 21.9 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -66.2 | -35.7 | 175.4 | -62 | -176.8 | 0 | 0 | 0 | 111.3 | N108 H113 I114 E115 Y146 A302 T326 V329 W333 | N108-I111 HydrophobicContact CB-CB 4.18Å; N108-I111 HydrophobicContact CB-CD1 4.06Å; N108-I111 HydrophobicContact CB-CG1 4.05Å; N108-I111 PolarHBondContact O-N 3.49Å; N108-I111 VanDerWaalsContact O-N 3.13Å; N108-I111 PolarHBondContact OD1-N 2.94Å; I111-H113 VanDerWaalsContact C-N 3.32Å; I111-H113 PolarHBondContact O-N 3.26Å; I111-I114 PolarHBondContact O-N 3.5Å; I111-E115 HydrophobicContact CG2-CG 3.88Å; I111-E115 WeakPolarHBondContact O-CG 3.3Å; I111-E115 PolarHBondContact O-N 3.46Å; I111-Y146 HydrophobicContact CD1-CD2 4.08Å; I111-Y146 HydrophobicContact CG1-CD2 3.99Å; I111-Y146 HydrophobicContact CG2-CD2 4.44Å; I111-Y146 HydrophobicContact CG2-CE2 4.26Å; I111-A302 HydrophobicContact CG2-CB 4.31Å; I111-T326 HydrophobicContact CG1-CG2 4.09Å; I111-V329 HydrophobicContact CD1-CB 3.41Å; I111-V329 VanDerWaalsContact CD1-CB 3.41Å; I111-V329 HydrophobicContact CD1-CG1 3.78Å; I111-V329 HydrophobicContact CD1-CG2 3.57Å; I111-W333 HydrophobicContact CG2-CH2 3.99Å; I111-W333 HydrophobicContact CG2-CZ2 3.73Å |
| 112 | G | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -52.5 | -49.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | N108 H109 C110 M116 M298 | N108-G112 PolarHBondContact O-N 2.83Å; H109-G112 PolarHBondContact O-N 2.8Å; C110-G112 VanDerWaalsContact C-N 3.32Å; C110-G112 PolarHBondContact O-N 3.03Å; G112-M116 WeakPolarHBondContact O-CB 3.3Å; G112-M116 PolarHBondContact O-N 3.48Å; G112-M116 VanDerWaalsContact O-N 3.08Å; G112-M298 WeakPolarHBondContact O-CB 3.28Å |
| 113 | H | 98.8 | Very high | 98.5 | Very high | 5 Ų | 5 | 15.5 Ų | 15.5 | 2% | 0.023 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -60.9 | -45.1 | 175 | -86.8 | -70.7 | 0 | 0 | 0 | 112.6 | H109 C110 I111 G117 Y130 V260 G261 C292 D294 M298 | H109-H113 AromaticContact CD2-CD2 3.96Å; H109-H113 AromaticContact CE1-CD2 3.84Å; H109-H113 AromaticContact CE1-NE2 3.59Å; H109-H113 AromaticContact NE2-CD2 3.47Å; H109-H113 PolarHBondContact NE2-CD2 3.04Å; H109-H113 AromaticContact NE2-NE2 3.41Å; H109-H113 PolarHBondContact NE2-NE2 3.43Å; H109-H113 PolarHBondContact O-N 2.89Å; C110-H113 WeakPolarHBondContact O-CB 3.39Å; C110-H113 PolarHBondContact O-N 2.61Å; I111-H113 VanDerWaalsContact C-N 3.32Å; I111-H113 PolarHBondContact O-N 3.26Å; H113-G117 PolarHBondContact O-N 3.23Å; H113-Y130 HydrophobicContact CB-CD2 4.37Å; H113-Y130 HydrophobicContact CB-CE2 4.15Å; H113-Y130 AromaticContact CD2-CE2 3.54Å; H113-Y130 AromaticContact CD2-CZ 3.8Å; H113-Y130 AromaticContact CG-CE2 3.78Å; H113-V260 HydrophobicContact CB-CB 4.06Å; H113-V260 HydrophobicContact CB-CG2 3.95Å; H113-G261 PolarHBondContact ND1-N 3.42Å; H113-C292 PolarHBondContact CE1-O 3.3Å; H113-D294 IonicContact CE1-OD1 3.78Å; H113-D294 IonicContact NE2-OD1 3.76Å; H113-D294 PolarHBondContact NE2-OD1 3.4Å; H113-M298 VanDerWaalsContact CE1-SD 3.58Å |
| 114 | I | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -63.4 | -51.5 | -179.4 | -63 | 163.5 | 0 | 0 | 0 | 111.3 | C110 I111 M116 G117 R118 V128 I139 Y146 T326 | C110-I114 WeakPolarHBondContact O-CG1 3.33Å; C110-I114 PolarHBondContact O-N 3.2Å; I111-I114 PolarHBondContact O-N 3.5Å; I114-M116 PolarHBondContact O-N 3.42Å; I114-G117 PolarHBondContact O-N 2.99Å; I114-R118 HydrophobicContact CG2-CG 4.4Å; I114-R118 VanDerWaalsContact O-CG 3.29Å; I114-R118 WeakPolarHBondContact O-CG 3.37Å; I114-R118 PolarHBondContact O-N 2.89Å; I114-V128 HydrophobicContact CG1-CG1 4.17Å; I114-V128 HydrophobicContact CG2-CG2 4.36Å; I114-I139 HydrophobicContact CD1-CD1 4.11Å; I114-I139 HydrophobicContact CD1-CG2 4.06Å; I114-Y146 HydrophobicContact CD1-CD1 4.05Å; I114-Y146 HydrophobicContact CD1-CD2 4.29Å; I114-Y146 HydrophobicContact CD1-CE1 4.41Å; I114-Y146 HydrophobicContact CD1-CG 4Å; I114-Y146 HydrophobicContact CG2-CD1 4.33Å; I114-Y146 HydrophobicContact CG2-CE1 3.62Å; I114-Y146 HydrophobicContact CG2-CE2 4.2Å; I114-T326 HydrophobicContact CD1-CG2 4.05Å |
| 115 | E | 98.7 | Very high | 98.2 | Very high | 4 Ų | 4 | 21.2 Ų | 21.2 | 2% | 0.019 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -68.7 | -35.4 | -176 | -63.7 | -55 | 156.4 | 0 | 0 | 112.3 | I111 R118 L119 Y146 Q301 A302 W333 | I111-E115 HydrophobicContact CG2-CG 3.88Å; I111-E115 WeakPolarHBondContact O-CG 3.3Å; I111-E115 PolarHBondContact O-N 3.46Å; E115-R118 PolarHBondContact O-N 3.03Å; E115-R118 IonicContact OE2-NE 3.66Å; E115-R118 PolarHBondContact OE2-NE 2.82Å; E115-L119 WeakPolarHBondContact O-CB 3.5Å; E115-L119 PolarHBondContact O-N 2.97Å; E115-Y146 WeakPolarHBondContact OE1-CE2 3.39Å; E115-Y146 VanDerWaalsContact OE1-CZ 3.26Å; E115-Y146 PolarHBondContact OE1-OH 3.16Å; E115-Q301 HydrophobicContact CB-CG 4.26Å; E115-A302 HydrophobicContact CB-CB 4.15Å; E115-A302 HydrophobicContact CG-CB 4.16Å; E115-W333 VanDerWaalsContact CD-NE1 3.3Å; E115-W333 HydrophobicContact CG-CZ2 4.23Å; E115-W333 WeakPolarHBondContact OE1-CZ2 3.41Å; E115-W333 PolarHBondContact OE1-NE1 3.07Å |
| 116 | M | 98.6 | Very high | 98.1 | Very high | 2 Ų | 2 | 21.7 Ų | 21.7 | 1% | 0.01 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65.2 | -43.4 | 170.9 | -177.4 | 54.9 | 69.7 | 0 | 0 | 111.6 | V24 G112 I114 R118 L119 I120 F291 A297 M298 Q301 | V24-M116 HydrophobicContact CG2-CE 4.22Å; G112-M116 WeakPolarHBondContact O-CB 3.3Å; G112-M116 PolarHBondContact O-N 3.48Å; G112-M116 VanDerWaalsContact O-N 3.08Å; I114-M116 PolarHBondContact O-N 3.42Å; M116-R118 VanDerWaalsContact C-N 3.32Å; M116-R118 PolarHBondContact O-N 3.03Å; M116-L119 PolarHBondContact O-N 3.48Å; M116-L119 HydrophobicContact SD-CD2 4.26Å; M116-I120 HydrophobicContact CG-CG1 4.25Å; M116-I120 WeakPolarHBondContact O-CG1 3.15Å; M116-I120 PolarHBondContact O-N 3.32Å; M116-I120 HydrophobicContact SD-CD1 3.96Å; M116-I120 HydrophobicContact SD-CG1 3.52Å; M116-I120 VanDerWaalsContact SD-CG1 3.52Å; M116-F291 HydrophobicContact CE-CD1 4.44Å; M116-F291 HydrophobicContact CG-CB 4.02Å; M116-F291 HydrophobicContact CG-CD1 4.12Å; M116-F291 HydrophobicContact CG-CG 4.29Å; M116-F291 HydrophobicContact SD-CD1 3.79Å; M116-F291 HydrophobicContact SD-CE1 4.21Å; M116-F291 HydrophobicContact SD-CG 4.27Å; M116-A297 HydrophobicContact CE-CB 3.74Å; M116-A297 WeakPolarHBondContact CE-O 3.32Å; M116-M298 HydrophobicContact CB-CB 3.63Å; M116-M298 HydrophobicContact CE-CB 4.29Å; M116-M298 HydrophobicContact CG-CB 4.01Å; M116-Q301 HydrophobicContact CE-CB 3.8Å |
| 117 | G | 98.3 | Very high | 98.1 | Very high | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.01 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -57.3 | -46 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | H113 I114 T121 | H113-G117 PolarHBondContact O-N 3.23Å; I114-G117 PolarHBondContact O-N 2.99Å; G117-T121 VanDerWaalsContact O-CB 3.3Å; G117-T121 WeakPolarHBondContact O-CB 3.42Å; G117-T121 VanDerWaalsContact O-CG2 3.3Å; G117-T121 WeakPolarHBondContact O-CG2 3.35Å; G117-T121 PolarHBondContact O-N 3.33Å; G117-T121 PolarHBondContact O-OG1 3.42Å |
| 118 | R | 98.5 | Very high | 98.1 | Very high | 50 Ų | 50 | 21.8 Ų | 21.8 | 19% | 0.189 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.1 | -47.6 | 176.1 | -70.4 | 169.9 | 52.3 | 66.7 | -1.9 | 112.4 | I114 E115 M116 G122 A123 T124 Y146 L258 R334 | I114-R118 HydrophobicContact CG2-CG 4.4Å; I114-R118 VanDerWaalsContact O-CG 3.29Å; I114-R118 WeakPolarHBondContact O-CG 3.37Å; I114-R118 PolarHBondContact O-N 2.89Å; E115-R118 PolarHBondContact O-N 3.03Å; E115-R118 IonicContact OE2-NE 3.66Å; E115-R118 PolarHBondContact OE2-NE 2.82Å; M116-R118 VanDerWaalsContact C-N 3.32Å; M116-R118 PolarHBondContact O-N 3.03Å; R118-G122 WeakPolarHBondContact O-CA 3.34Å; R118-G122 PolarHBondContact O-N 3.2Å; R118-A123 PolarHBondContact NH1-O 3.45Å; R118-T124 PolarHBondContact NH1-O 3.5Å; R118-Y146 WeakPolarHBondContact CD-OH 3.3Å; R118-L258 HydrophobicContact CG-CD2 4.28Å; R118-R334 VanDerWaalsContact NH1-NH1 3.17Å; R118-R334 VanDerWaalsContact NH2-CZ 3.35Å |
| 119 | L | 98.1 | Very high | 98.1 | Very high | 54 Ų | 54 | 21.8 Ų | 21.8 | 28% | 0.283 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -58.4 | -51.3 | 179.1 | 177.5 | 72 | 0 | 0 | 0 | 111.8 | E115 M116 Q301 | E115-L119 WeakPolarHBondContact O-CB 3.5Å; E115-L119 PolarHBondContact O-N 2.97Å; M116-L119 PolarHBondContact O-N 3.48Å; M116-L119 HydrophobicContact SD-CD2 4.26Å; L119-Q301 HydrophobicContact CB-CG 4.25Å; L119-Q301 HydrophobicContact CD2-CG 3.98Å |
| 120 | I | 97.9 | Very high | 98.1 | Very high | 63 Ų | 63 | 21.5 Ų | 21.5 | 32% | 0.323 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -73.3 | -36.1 | -172.1 | -63.8 | -60.7 | 0 | 0 | 0 | 111.9 | M116 T287 F291 | M116-I120 HydrophobicContact CG-CG1 4.25Å; M116-I120 WeakPolarHBondContact O-CG1 3.15Å; M116-I120 PolarHBondContact O-N 3.32Å; M116-I120 HydrophobicContact SD-CD1 3.96Å; M116-I120 HydrophobicContact SD-CG1 3.52Å; M116-I120 VanDerWaalsContact SD-CG1 3.52Å; I120-T287 HydrophobicContact CB-CG2 4.28Å; I120-T287 HydrophobicContact CG2-CG2 4.34Å; I120-F291 HydrophobicContact CD1-CD2 4Å; I120-F291 HydrophobicContact CD1-CE1 4.34Å; I120-F291 HydrophobicContact CD1-CE2 3.65Å; I120-F291 HydrophobicContact CD1-CG 4.46Å; I120-F291 HydrophobicContact CD1-CZ 3.84Å; I120-F291 HydrophobicContact CG1-CD2 3.85Å; I120-F291 HydrophobicContact CG1-CE2 4.05Å; I120-F291 HydrophobicContact CG1-CG 4.1Å; I120-F291 HydrophobicContact CG1-CZ 4.5Å; I120-F291 HydrophobicContact CG2-CD2 4.11Å; I120-F291 HydrophobicContact CG2-CE2 4.39Å |
| 121 | T | 97.8 | Very high | 98.1 | Very high | 28 Ų | 28 | 21.5 Ų | 21.5 | 17% | 0.172 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -97.7 | -19.3 | -172.3 | 69.1 | 0 | 0 | 0 | 0 | 113.8 | G117 A123 L258 F285 T287 | G117-T121 VanDerWaalsContact O-CB 3.3Å; G117-T121 WeakPolarHBondContact O-CB 3.42Å; G117-T121 VanDerWaalsContact O-CG2 3.3Å; G117-T121 WeakPolarHBondContact O-CG2 3.35Å; G117-T121 PolarHBondContact O-N 3.33Å; G117-T121 PolarHBondContact O-OG1 3.42Å; T121-A123 VanDerWaalsContact C-N 3.29Å; T121-A123 PolarHBondContact OG1-N 3.27Å; T121-L258 HydrophobicContact CG2-CD1 4.16Å; T121-F285 HydrophobicContact CG2-CB 4.19Å; T121-F285 WeakPolarHBondContact O-CD1 3.32Å; T121-F285 WeakPolarHBondContact O-CE1 3.36Å; T121-T287 HydrophobicContact CG2-CG2 3.97Å |
| 122 | G | 97.8 | Very high | 98 | Very high | 49 Ų | 49 | 21.7 Ų | 21.7 | 51% | 0.505 | 14% | 0.135 | S | C | . | . | trans | 74 | 15.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | R118 T124 | R118-G122 WeakPolarHBondContact O-CA 3.34Å; R118-G122 PolarHBondContact O-N 3.2Å; G122-T124 PolarHBondContact O-N 2.87Å | ||
| 123 | A | 97.6 | Very high | 97.8 | Very high | 4 Ų | 4 | 23.5 Ų | 23.5 | 3% | 0.033 | 15% | 0.154 | C | C | . | . | trans | -62.3 | 130.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | R118 T121 P126 L258 F285 | R118-A123 PolarHBondContact NH1-O 3.45Å; T121-A123 VanDerWaalsContact C-N 3.29Å; T121-A123 PolarHBondContact OG1-N 3.27Å; A123-P126 HydrophobicContact CB-CB 4.28Å; A123-P126 HydrophobicContact CB-CG 3.83Å; A123-L258 HydrophobicContact CB-CD2 4.45Å; A123-F285 HydrophobicContact CB-CB 4.4Å; A123-F285 HydrophobicContact CB-CD1 4.4Å; A123-F285 HydrophobicContact CB-CD2 3.83Å; A123-F285 HydrophobicContact CB-CE2 4.08Å; A123-F285 HydrophobicContact CB-CG 3.97Å; A123-F285 HydrophobicContact CB-CZ 4.42Å | ||
| 124 | T | 95.1 | Very high | 97.6 | Very high | 96 Ų | 96 | 26 Ų | 26 | 59% | 0.589 | 18% | 0.181 | S | C | * | . | S | Bend | trans | -92.7 | -56.8 | -170.4 | -60.9 | 0 | 0 | 0 | 0 | 111.4 | R118 G122 E256 R334 | R118-T124 PolarHBondContact NH1-O 3.5Å; G122-T124 PolarHBondContact O-N 2.87Å; T124-E256 PolarHBondContact N-OE2 3.09Å; T124-R334 PolarHBondContact O-NH2 2.89Å |
| 125 | S | 94.8 | Very high | 97.5 | Very high | 80 Ų | 80 | 27.4 Ų | 27.4 | 56% | 0.559 | 19% | 0.189 | S | C | * | . | S | Bend | trans | -139.1 | 59.7 | -178.5 | 60 | 0 | 0 | 0 | 0 | 111.7 | E256 | S125-E256 PolarHBondContact N-OE2 2.67Š|
| 126 | P | 98.3 | Very high | 97.6 | Very high | 9 Ų | 9 | 27.2 Ų | 27.2 | 6% | 0.058 | 19% | 0.188 | C | C | . | . | P | Polyproline II helix | trans | -78.1 | 151.6 | -176.8 | 33.6 | -37.4 | 0 | 0 | 0 | 113.2 | A123 V128 E256 L258 | A123-P126 HydrophobicContact CB-CB 4.28Å; A123-P126 HydrophobicContact CB-CG 3.83Å; P126-V128 HydrophobicContact CB-CG2 4.48Å; P126-V128 HydrophobicContact CG-CG2 3.97Å; P126-E256 VanDerWaalsContact CA-O 3.31Å; P126-E256 WeakPolarHBondContact CA-O 3.3Å; P126-E256 HydrophobicContact CB-CB 3.9Å; P126-L258 HydrophobicContact CB-CB 3.62Å; P126-L258 HydrophobicContact CG-CB 3.77Å; P126-L258 HydrophobicContact CG-CD2 4.07Å |
| 127 | T | 98.8 | Very high | 97.6 | Very high | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.006 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 122.2 | 150.1 | -63.5 | 0 | 0 | 0 | 0 | 107 | V138 T245 A248 M249 S254 E256 A257 L258 | T127-V138 HydrophobicContact CG2-CG1 3.68Å; T127-T245 HydrophobicContact CG2-CG2 4.3Å; T127-A248 HydrophobicContact CG2-CB 3.98Å; T127-M249 HydrophobicContact CG2-CG 3.93Å; T127-S254 PolarHBondContact N-OG 3.26Å; T127-S254 VanDerWaalsContact OG1-CB 3.24Å; T127-S254 WeakPolarHBondContact OG1-CB 3.42Å; T127-E256 PolarHBondContact N-O 2.83Å; T127-A257 CarbonylContact O-C 3.59Å; T127-A257 WeakPolarHBondContact O-CA 3.28Å; T127-L258 PolarHBondContact O-N 3.45Å |
| 128 | V | 98.9 | Very high | 97.6 | Very high | 3 Ų | 3 | 27.8 Ų | 27.8 | 2% | 0.018 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 123 | -175.4 | -173.5 | 0 | 0 | 0 | 0 | 109.9 | I114 P126 V138 I139 L258 V260 | I114-V128 HydrophobicContact CG1-CG1 4.17Å; I114-V128 HydrophobicContact CG2-CG2 4.36Å; P126-V128 HydrophobicContact CB-CG2 4.48Å; P126-V128 HydrophobicContact CG-CG2 3.97Å; V128-V138 CarbonylContact O-C 3.47Å; V128-V138 WeakPolarHBondContact O-CA 3.19Å; V128-I139 HydrophobicContact CB-CB 4.3Å; V128-I139 PolarHBondContact N-O 2.91Å; V128-I139 PolarHBondContact O-N 3.03Å; V128-L258 CarbonylContact C-O 3.53Å; V128-L258 VanDerWaalsContact CA-O 3.26Å; V128-L258 WeakPolarHBondContact CA-O 3.39Å; V128-L258 HydrophobicContact CG1-CG 4.48Å; V128-L258 WeakPolarHBondContact CG1-O 3.23Å; V128-L258 HydrophobicContact CG2-CB 4.32Å; V128-L258 HydrophobicContact CG2-CD2 4.24Å; V128-V260 HydrophobicContact CG1-CG1 4.46Å; V128-V260 HydrophobicContact CG1-CG2 3.65Å |
| 129 | L | 98.9 | Very high | 97.6 | Very high | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 109.6 | 164.2 | 177.7 | 65.3 | 0 | 0 | 0 | 108.7 | V131 V138 L241 T245 L258 I259 V260 M273 | L129-V131 HydrophobicContact CD1-CG1 3.78Å; L129-V131 HydrophobicContact CD2-CG1 4.19Å; L129-V131 HydrophobicContact CD2-CG2 4.43Å; L129-V131 HydrophobicContact CG-CG1 3.84Å; L129-V131 HydrophobicContact CG-CG2 4.34Å; L129-V138 HydrophobicContact CD1-CG2 4.03Å; L129-L241 HydrophobicContact CD1-CD2 4.27Å; L129-L241 HydrophobicContact CD2-CB 4.03Å; L129-T245 HydrophobicContact CB-CG2 4.45Å; L129-L258 PolarHBondContact N-O 2.65Å; L129-I259 HydrophobicContact CB-CG1 4.49Å; L129-I259 WeakPolarHBondContact O-CA 3.48Å; L129-V260 PolarHBondContact O-N 2.88Å; L129-M273 HydrophobicContact CD2-CE 3.43Å; L129-M273 VanDerWaalsContact CD2-CE 3.43Å |
| 130 | Y | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 110.9 | 174.1 | 175.8 | -141.3 | 0 | 0 | 0 | 110.8 | H109 C110 H113 S132 N135 T136 Q137 V260 | H109-Y130 PolarHBondContact CD2-OH 3.42Å; H109-Y130 PolarHBondContact NE2-OH 2.82Å; C110-Y130 HydrophobicContact CB-CD1 4Å; C110-Y130 HydrophobicContact CB-CE1 3.8Å; C110-Y130 WeakPolarHBondContact SG-CE1 3.29Å; H113-Y130 HydrophobicContact CB-CD2 4.37Å; H113-Y130 HydrophobicContact CB-CE2 4.15Å; H113-Y130 AromaticContact CD2-CE2 3.54Å; H113-Y130 AromaticContact CD2-CZ 3.8Å; H113-Y130 AromaticContact CG-CE2 3.78Å; Y130-S132 PolarHBondContact OH-OG 2.8Å; Y130-N135 HydrophobicContact CD1-CB 3.72Å; Y130-N135 HydrophobicContact CE1-CB 3.21Å; Y130-N135 VanDerWaalsContact CE1-CG 3.47Å; Y130-T136 CarbonylContact O-C 3.59Å; Y130-T136 VanDerWaalsContact O-CA 3.25Å; Y130-T136 WeakPolarHBondContact O-CA 3.27Å; Y130-Q137 PolarHBondContact N-O 3.43Å; Y130-Q137 PolarHBondContact O-N 2.92Å; Y130-V260 HydrophobicContact CD2-CG2 3.77Å; Y130-V260 HydrophobicContact CG-CG2 4.13Å |
| 131 | V | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 116.3 | -176.9 | -75.1 | 0 | 0 | 0 | 0 | 112.1 | L129 T136 V157 L241 I259 V260 G261 G262 V263 L269 | L129-V131 HydrophobicContact CD1-CG1 3.78Å; L129-V131 HydrophobicContact CD2-CG1 4.19Å; L129-V131 HydrophobicContact CD2-CG2 4.43Å; L129-V131 HydrophobicContact CG-CG1 3.84Å; L129-V131 HydrophobicContact CG-CG2 4.34Å; V131-T136 HydrophobicContact CG1-CG2 4.03Å; V131-V157 HydrophobicContact CB-CG1 3.85Å; V131-V157 HydrophobicContact CG1-CG1 3.82Å; V131-L241 HydrophobicContact CG1-CD1 3.98Å; V131-L241 HydrophobicContact CG1-CD2 3.9Å; V131-I259 HydrophobicContact CG2-CG2 4.04Å; V131-V260 PolarHBondContact N-O 3.33Å; V131-G261 CarbonylContact O-C 3.51Å; V131-G261 WeakPolarHBondContact O-CA 3.46Å; V131-G262 PolarHBondContact O-N 3.16Å; V131-V263 HydrophobicContact CB-CB 3.95Å; V131-V263 HydrophobicContact CB-CG1 4.46Å; V131-V263 HydrophobicContact CG2-CB 3.84Å; V131-V263 HydrophobicContact CG2-CG1 4.26Å; V131-V263 WeakPolarHBondContact O-CB 3.29Å; V131-V263 PolarHBondContact O-N 2.94Å; V131-L269 HydrophobicContact CG2-CD2 4Å |
| 132 | S | 96.6 | Very high | 97.6 | Very high | 6 Ų | 6 | 23.4 Ų | 23.4 | 4% | 0.042 | 17% | 0.173 | C | C | . | . | trans | -140.1 | -176.6 | -179.2 | 80 | 0 | 0 | 0 | 0 | 111.1 | Y130 G134 N135 A156 G158 | Y130-S132 PolarHBondContact OH-OG 2.8Å; S132-G134 PolarHBondContact O-N 3.15Å; S132-G134 PolarHBondContact OG-N 3.08Å; S132-G134 VanDerWaalsContact OG-N 3.11Å; S132-N135 PolarHBondContact N-O 3.38Å; S132-N135 PolarHBondContact OG-N 3.1Å; S132-A156 WeakPolarHBondContact O-CB 3.44Å; S132-G158 WeakPolarHBondContact O-CA 3.46Å; S132-G158 PolarHBondContact O-N 2.85Å; S132-G158 VanDerWaalsContact O-N 3.15Å | ||
| 133 | G | 93.8 | Very high | 97.6 | Very high | 37 Ų | 37 | 27.7 Ų | 27.7 | 38% | 0.381 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -65.9 | -20.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | N159 | G133-N159 WeakPolarHBondContact O-CB 3.41Š|
| 134 | G | 94.5 | Very high | 97.6 | Very high | 59 Ų | 59 | 30.9 Ų | 30.9 | 61% | 0.608 | 19% | 0.194 | S | C | * | . | S | Bend | trans | -113.8 | -17 | -177 | 0 | 0 | 0 | 0 | 0 | 115 | S132 | S132-G134 PolarHBondContact O-N 3.15Å; S132-G134 PolarHBondContact OG-N 3.08Å; S132-G134 VanDerWaalsContact OG-N 3.11Å |
| 135 | N | 98.3 | Very high | 97.7 | Very high | 28 Ų | 28 | 29.7 Ų | 29.7 | 15% | 0.15 | 18% | 0.178 | C | C | . | . | trans | -138.4 | 147.1 | -172.8 | -65.2 | 82.8 | 0 | 0 | 0 | 112.2 | Y130 S132 | Y130-N135 HydrophobicContact CD1-CB 3.72Å; Y130-N135 HydrophobicContact CE1-CB 3.21Å; Y130-N135 VanDerWaalsContact CE1-CG 3.47Å; S132-N135 PolarHBondContact N-O 3.38Å; S132-N135 PolarHBondContact OG-N 3.1Å | ||
| 136 | T | 98.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.006 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 104.1 | 168.2 | -63.6 | 0 | 0 | 0 | 0 | 107.5 | Y130 V131 E151 T152 A156 V157 V202 F204 L241 | Y130-T136 CarbonylContact O-C 3.59Å; Y130-T136 VanDerWaalsContact O-CA 3.25Å; Y130-T136 WeakPolarHBondContact O-CA 3.27Å; V131-T136 HydrophobicContact CG1-CG2 4.03Å; T136-E151 WeakPolarHBondContact O-CA 3.48Å; T136-T152 PolarHBondContact O-N 3.04Å; T136-A156 WeakPolarHBondContact OG1-CA 3.31Å; T136-V157 WeakPolarHBondContact OG1-CG1 3.37Å; T136-V157 PolarHBondContact OG1-N 3.48Å; T136-V202 HydrophobicContact CG2-CG2 4Å; T136-F204 HydrophobicContact CG2-CE2 3.89Å; T136-F204 HydrophobicContact CG2-CZ 4.24Å; T136-L241 HydrophobicContact CG2-CD2 3.6Å |
| 137 | Q | 98.9 | Very high | 97.9 | Very high | 14 Ų | 14 | 30.3 Ų | 30.3 | 7% | 0.065 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 143.8 | -172 | -65.1 | 178.8 | -27.7 | 0 | 0 | 110.5 | Y130 I139 G150 E151 T326 | Y130-Q137 PolarHBondContact N-O 3.43Å; Y130-Q137 PolarHBondContact O-N 2.92Å; Q137-I139 HydrophobicContact CB-CD1 3.9Å; Q137-I139 HydrophobicContact CB-CG1 3.94Å; Q137-G150 CarbonylContact C-O 3.56Å; Q137-G150 WeakPolarHBondContact CA-O 3.1Å; Q137-E151 HydrophobicContact CG-CB 3.89Å; Q137-E151 PolarHBondContact NE2-OE2 2.81Å; Q137-T326 PolarHBondContact OE1-OG1 3.23Å; Q137-T326 VanDerWaalsContact OE1-OG1 3.05Å |
| 138 | V | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 117.7 | 167.5 | -173.6 | 0 | 0 | 0 | 0 | 107.7 | T127 V128 L129 F149 G150 I244 A248 | T127-V138 HydrophobicContact CG2-CG1 3.68Å; V128-V138 CarbonylContact O-C 3.47Å; V128-V138 WeakPolarHBondContact O-CA 3.19Å; L129-V138 HydrophobicContact CD1-CG2 4.03Å; V138-F149 PolarHBondContact O-N 3.47Å; V138-G150 PolarHBondContact N-O 3.19Å; V138-G150 PolarHBondContact O-N 3Å; V138-I244 HydrophobicContact CG2-CB 4.31Å; V138-I244 HydrophobicContact CG2-CD1 3.6Å; V138-I244 HydrophobicContact CG2-CG1 3.72Å; V138-A248 HydrophobicContact CG1-CB 3.39Å |
| 139 | I | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 142 | -166.8 | -62.6 | 160.5 | 0 | 0 | 0 | 109.1 | I114 V128 Q137 Y146 R147 I148 T326 | I114-I139 HydrophobicContact CD1-CD1 4.11Å; I114-I139 HydrophobicContact CD1-CG2 4.06Å; V128-I139 HydrophobicContact CB-CB 4.3Å; V128-I139 PolarHBondContact N-O 2.91Å; V128-I139 PolarHBondContact O-N 3.03Å; Q137-I139 HydrophobicContact CB-CD1 3.9Å; Q137-I139 HydrophobicContact CB-CG1 3.94Å; I139-Y146 HydrophobicContact CG2-CD1 3.98Å; I139-Y146 HydrophobicContact CG2-CG 4.3Å; I139-R147 VanDerWaalsContact CA-O 3.24Å; I139-R147 WeakPolarHBondContact CA-O 3.33Å; I139-I148 HydrophobicContact CG1-CG1 4.19Å; I139-T326 HydrophobicContact CD1-CG2 4Å; I139-T326 HydrophobicContact CG2-CG2 4.44Å |
| 140 | A | 98.5 | Very high | 97.9 | Very high | 9 Ų | 9 | 33.8 Ų | 33.8 | 7% | 0.074 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 148.1 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | R147 F149 | A140-R147 PolarHBondContact N-O 2.84Å; A140-R147 PolarHBondContact O-N 3.45Å; A140-F149 HydrophobicContact CB-CD2 4Å; A140-F149 HydrophobicContact CB-CE2 3.63Å; A140-F149 HydrophobicContact CB-CZ 4.47Å |
| 141 | Y | 98.3 | Very high | 97.9 | Very high | 44 Ų | 44 | 36.2 Ų | 36.2 | 17% | 0.173 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 132.7 | 176.4 | 173.9 | -95.5 | 0 | 0 | 0 | 110.6 | H144 R145 Y146 V331 R334 D335 | Y141-H144 WeakPolarHBondContact OH-CA 3.3Å; Y141-H144 PolarHBondContact OH-N 3.38Å; Y141-H144 PolarHBondContact OH-ND1 3.43Å; Y141-R145 WeakPolarHBondContact CA-O 3.47Å; Y141-Y146 HydrophobicContact CD2-CD1 4.44Å; Y141-Y146 HydrophobicContact CD2-CE1 4.24Å; Y141-Y146 HydrophobicContact CG-CE1 4.45Å; Y141-V331 HydrophobicContact CD2-CB 4.5Å; Y141-V331 HydrophobicContact CD2-CG1 4.13Å; Y141-V331 HydrophobicContact CE2-CB 3.95Å; Y141-V331 HydrophobicContact CE2-CG1 3.7Å; Y141-R334 HydrophobicContact CE1-CB 4.29Å; Y141-R334 HydrophobicContact CE2-CB 3.75Å; Y141-R334 HydrophobicContact CE2-CG 4.42Å; Y141-R334 PolarHBondContact OH-O 3.13Å; Y141-D335 VanDerWaalsContact CE1-O 3.22Å; Y141-D335 WeakPolarHBondContact CE1-O 3.48Å; Y141-D335 PolarHBondContact OH-O 2.68Å; Y141-D335 PolarHBondContact OH-OXT 2.86Å |
| 142 | S | 97.2 | Very high | 97.9 | Very high | 51 Ų | 51 | 37.3 Ų | 37.3 | 36% | 0.357 | 20% | 0.202 | S | C | . | . | trans | -161.8 | 130.3 | 170.5 | 165.3 | 0 | 0 | 0 | 0 | 110.8 | R145 R147 | S142-R145 PolarHBondContact N-O 3.33Å; S142-R145 PolarHBondContact O-N 3.41Å; S142-R147 PolarHBondContact O-NE 2.94Å; S142-R147 PolarHBondContact O-NH2 2.97Å | ||
| 143 | E | 96.4 | Very high | 98 | Very high | 139 Ų | 139 | 41.3 Ų | 41.3 | 65% | 0.65 | 22% | 0.222 | S | C | * | . | S | Bend | trans | 51.4 | 62.1 | 176.3 | -62.4 | -67.7 | 135.1 | 0 | 0 | 111.7 | R145 | E143-R145 PolarHBondContact O-N 3.23Š|
| 144 | H | 97.6 | Very high | 98.2 | Very high | 71 Ų | 71 | 42.4 Ų | 42.4 | 33% | 0.329 | 22% | 0.219 | S | C | . | . | S | Bend | trans | 54.1 | 28.4 | 179.4 | -50.2 | -58.4 | 0 | 0 | 0 | 115 | Y141 V331 R334 | Y141-H144 WeakPolarHBondContact OH-CA 3.3Å; Y141-H144 PolarHBondContact OH-N 3.38Å; Y141-H144 PolarHBondContact OH-ND1 3.43Å; H144-V331 PolarHBondContact ND1-O 2.65Å; H144-V331 WeakPolarHBondContact O-CB 3.5Å; H144-V331 PolarHBondContact O-N 3.26Å; H144-R334 PolarHBondContact CE1-O 3.48Å; H144-R334 PolarHBondContact ND1-O 2.58Å |
| 145 | R | 98.4 | Very high | 98.4 | Very high | 70 Ų | 70 | 41 Ų | 41 | 26% | 0.264 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -138.7 | 136.8 | 177.5 | -64.5 | -66.2 | 174.3 | 163.6 | -11.6 | 111.4 | Y141 S142 E143 R147 D327 E328 V329 | Y141-R145 WeakPolarHBondContact CA-O 3.47Å; S142-R145 PolarHBondContact N-O 3.33Å; S142-R145 PolarHBondContact O-N 3.41Å; E143-R145 PolarHBondContact O-N 3.23Å; R145-R147 HydrophobicContact CB-CG 3.91Å; R145-R147 PolarHBondContact O-N 3.17Å; R145-D327 WeakPolarHBondContact CD-O 3.39Å; R145-D327 PolarHBondContact NH1-O 3.5Å; R145-E328 PolarHBondContact NH1-O 3.14Å; R145-V329 VanDerWaalsContact CD-O 3.25Å; R145-V329 WeakPolarHBondContact CD-O 3.5Å; R145-V329 PolarHBondContact NH1-O 3.42Å |
| 146 | Y | 98.7 | Very high | 98.4 | Very high | 3 Ų | 3 | 40 Ų | 40 | 1% | 0.012 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 95.8 | 161.5 | -78.3 | -61.1 | 0 | 0 | 0 | 109 | I111 I114 E115 R118 I139 Y141 T326 D327 V331 W333 R334 | I111-Y146 HydrophobicContact CD1-CD2 4.08Å; I111-Y146 HydrophobicContact CG1-CD2 3.99Å; I111-Y146 HydrophobicContact CG2-CD2 4.44Å; I111-Y146 HydrophobicContact CG2-CE2 4.26Å; I114-Y146 HydrophobicContact CD1-CD1 4.05Å; I114-Y146 HydrophobicContact CD1-CD2 4.29Å; I114-Y146 HydrophobicContact CD1-CE1 4.41Å; I114-Y146 HydrophobicContact CD1-CG 4Å; I114-Y146 HydrophobicContact CG2-CD1 4.33Å; I114-Y146 HydrophobicContact CG2-CE1 3.62Å; I114-Y146 HydrophobicContact CG2-CE2 4.2Å; E115-Y146 WeakPolarHBondContact OE1-CE2 3.39Å; E115-Y146 VanDerWaalsContact OE1-CZ 3.26Å; E115-Y146 PolarHBondContact OE1-OH 3.16Å; R118-Y146 WeakPolarHBondContact CD-OH 3.3Å; I139-Y146 HydrophobicContact CG2-CD1 3.98Å; I139-Y146 HydrophobicContact CG2-CG 4.3Å; Y141-Y146 HydrophobicContact CD2-CD1 4.44Å; Y141-Y146 HydrophobicContact CD2-CE1 4.24Å; Y141-Y146 HydrophobicContact CG-CE1 4.45Å; Y146-T326 CarbonylContact O-C 3.58Å; Y146-D327 VanDerWaalsContact O-CA 3.31Å; Y146-D327 WeakPolarHBondContact O-CA 3.13Å; Y146-D327 WeakPolarHBondContact O-CB 3.45Å; Y146-D327 PolarHBondContact O-N 3.44Å; Y146-V331 HydrophobicContact CD2-CG2 3.65Å; Y146-V331 HydrophobicContact CE2-CG1 4.09Å; Y146-V331 HydrophobicContact CE2-CG2 4.03Å; Y146-V331 HydrophobicContact CG-CG2 4.43Å; Y146-W333 HydrophobicContact CE2-CZ2 4.3Å; Y146-R334 PolarHBondContact OH-NH1 3.19Å |
| 147 | R | 98.6 | Very high | 98.4 | Very high | 100 Ų | 100 | 40 Ų | 40 | 38% | 0.377 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 140.4 | -173.6 | -59.8 | 178 | -174.5 | -87.9 | -7.1 | 110.6 | I139 A140 S142 R145 F149 | I139-R147 VanDerWaalsContact CA-O 3.24Å; I139-R147 WeakPolarHBondContact CA-O 3.33Å; A140-R147 PolarHBondContact N-O 2.84Å; A140-R147 PolarHBondContact O-N 3.45Å; S142-R147 PolarHBondContact O-NE 2.94Å; S142-R147 PolarHBondContact O-NH2 2.97Å; R145-R147 HydrophobicContact CB-CG 3.91Å; R145-R147 PolarHBondContact O-N 3.17Å; R147-F149 HydrophobicContact CB-CD2 4.48Å; R147-F149 HydrophobicContact CB-CE2 3.99Å |
| 148 | I | 98.8 | Very high | 98.3 | Very high | 28 Ų | 28 | 39.4 Ų | 39.4 | 14% | 0.144 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 115.2 | 177 | -63.5 | 157.6 | 0 | 0 | 0 | 108.2 | I139 E151 | I139-I148 HydrophobicContact CG1-CG1 4.19Å; I148-E151 HydrophobicContact CG2-CB 3.88Å; I148-E151 HydrophobicContact CG2-CG 4Å |
| 149 | F | 98.6 | Very high | 98.3 | Very high | 49 Ų | 49 | 41.6 Ų | 41.6 | 22% | 0.215 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | -28.7 | 178.9 | -79.2 | -97 | 0 | 0 | 0 | 112.4 | V138 A140 R147 M200 A248 H251 | V138-F149 PolarHBondContact O-N 3.47Å; A140-F149 HydrophobicContact CB-CD2 4Å; A140-F149 HydrophobicContact CB-CE2 3.63Å; A140-F149 HydrophobicContact CB-CZ 4.47Å; R147-F149 HydrophobicContact CB-CD2 4.48Å; R147-F149 HydrophobicContact CB-CE2 3.99Å; F149-M200 HydrophobicContact CB-CE 4.41Å; F149-M200 HydrophobicContact CB-SD 4.16Å; F149-M200 HydrophobicContact CD1-CE 4.37Å; F149-M200 WeakPolarHBondContact O-CB 3.41Å; F149-M200 WeakPolarHBondContact O-CE 3.25Å; F149-A248 HydrophobicContact CB-CB 4.33Å; F149-H251 AromaticContact CD1-CD2 3.91Å; F149-H251 AromaticContact CE1-CD2 3.56Å; F149-H251 AromaticContact CE1-NE2 3.96Å |
| 150 | G | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 145.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110 | Q137 V138 M200 D201 | Q137-G150 CarbonylContact C-O 3.56Å; Q137-G150 WeakPolarHBondContact CA-O 3.1Å; V138-G150 PolarHBondContact N-O 3.19Å; V138-G150 PolarHBondContact O-N 3Å; G150-M200 VanDerWaalsContact CA-O 3.27Å; G150-M200 WeakPolarHBondContact CA-O 3.48Å; G150-D201 WeakPolarHBondContact CA-OD1 3.25Å |
| 151 | E | 98.8 | Very high | 98.3 | Very high | 50 Ų | 50 | 41.4 Ų | 41.4 | 23% | 0.234 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 167.2 | 176.6 | 57.9 | -173.7 | 132.5 | 0 | 0 | 112.3 | T136 Q137 I148 I153 D201 V202 R325 | T136-E151 WeakPolarHBondContact O-CA 3.48Å; Q137-E151 HydrophobicContact CG-CB 3.89Å; Q137-E151 PolarHBondContact NE2-OE2 2.81Å; I148-E151 HydrophobicContact CG2-CB 3.88Å; I148-E151 HydrophobicContact CG2-CG 4Å; E151-I153 PolarHBondContact O-N 2.93Å; E151-D201 PolarHBondContact N-OD1 3.21Å; E151-D201 VanDerWaalsContact O-CA 3.31Å; E151-D201 WeakPolarHBondContact O-CA 3.48Å; E151-D201 WeakPolarHBondContact O-CB 3.43Å; E151-V202 PolarHBondContact O-N 2.92Å; E151-V202 VanDerWaalsContact O-N 3.16Å; E151-R325 IonicContact OE1-CZ 3.69Å; E151-R325 IonicContact OE1-NH1 3.36Å; E151-R325 PolarHBondContact OE1-NH1 2.88Å; E151-R325 IonicContact OE1-NH2 3.3Å; E151-R325 PolarHBondContact OE1-NH2 3.06Å; E151-R325 IonicContact OE2-NH1 3.14Å |
| 152 | T | 98.8 | Very high | 98.3 | Very high | 24 Ų | 24 | 41 Ų | 41 | 15% | 0.147 | 20% | 0.201 | C | C | . | . | B | Isolated β-bridge | trans | -65.3 | 134 | 166.4 | -177.2 | 0 | 0 | 0 | 0 | 110 | T136 D154 I155 V202 | T136-T152 PolarHBondContact O-N 3.04Å; T152-D154 VanDerWaalsContact C-N 3.33Å; T152-D154 PolarHBondContact OG1-N 2.9Å; T152-D154 PolarHBondContact OG1-OD1 2.69Å; T152-I155 WeakPolarHBondContact CB-O 3.28Å; T152-I155 WeakPolarHBondContact CG2-O 3.25Å; T152-I155 PolarHBondContact OG1-O 2.97Å; T152-V202 VanDerWaalsContact CA-O 3.3Å; T152-V202 WeakPolarHBondContact CA-O 3.47Å |
| 153 | I | 98.5 | Very high | 98.3 | Very high | 90 Ų | 90 | 42.8 Ų | 42.8 | 46% | 0.462 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -90.5 | 1.2 | 174.1 | 57.5 | 164.4 | 0 | 0 | 0 | 112.8 | E151 K198 D201 V202 | E151-I153 PolarHBondContact O-N 2.93Å; I153-K198 HydrophobicContact CD1-CD 3.81Å; I153-D201 HydrophobicContact CG2-CB 4.02Å; I153-V202 WeakPolarHBondContact CG1-O 3.38Å; I153-V202 PolarHBondContact N-O 3.26Å |
| 154 | D | 97.9 | Very high | 98.4 | Very high | 59 Ų | 59 | 36.1 Ų | 36.1 | 32% | 0.316 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -138.1 | -93.1 | 178.8 | 57.9 | 19.9 | 0 | 0 | 0 | 114.4 | T152 S203 F204 S205 | T152-D154 VanDerWaalsContact C-N 3.33Å; T152-D154 PolarHBondContact OG1-N 2.9Å; T152-D154 PolarHBondContact OG1-OD1 2.69Å; D154-S203 WeakPolarHBondContact OD1-CA 3.33Å; D154-S203 PolarHBondContact OD2-OG 2.94Å; D154-F204 PolarHBondContact OD1-N 2.96Å; D154-F204 PolarHBondContact OD2-N 2.94Å; D154-S205 WeakPolarHBondContact CB-OG 3.45Å; D154-S205 WeakPolarHBondContact OD2-CB 3.45Å; D154-S205 PolarHBondContact OD2-N 3.22Å; D154-S205 PolarHBondContact OD2-OG 3.41Å |
| 155 | I | 98.3 | Very high | 98.4 | Very high | 30 Ų | 30 | 32.8 Ų | 32.8 | 15% | 0.154 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -109.3 | 153.1 | -179 | 65.3 | 175.4 | 0 | 0 | 0 | 109.8 | T152 N159 C160 F204 L208 | T152-I155 WeakPolarHBondContact CB-O 3.28Å; T152-I155 WeakPolarHBondContact CG2-O 3.25Å; T152-I155 PolarHBondContact OG1-O 2.97Å; I155-N159 HydrophobicContact CB-CB 4.32Å; I155-C160 HydrophobicContact CD1-CB 4.04Å; I155-F204 HydrophobicContact CD1-CB 4.3Å; I155-F204 HydrophobicContact CG1-CB 3.89Å; I155-F204 VanDerWaalsContact O-CD2 3.29Å; I155-F204 WeakPolarHBondContact O-CD2 3.35Å; I155-L208 HydrophobicContact CD1-CD2 3.86Å |
| 156 | A | 98.6 | Very high | 98.3 | Very high | 7 Ų | 7 | 33 Ų | 33 | 6% | 0.058 | 15% | 0.154 | C | C | . | . | trans | -69 | 152.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | S132 T136 G158 N159 C160 | S132-A156 WeakPolarHBondContact O-CB 3.44Å; T136-A156 WeakPolarHBondContact OG1-CA 3.31Å; A156-G158 VanDerWaalsContact C-N 3.27Å; A156-G158 PolarHBondContact O-N 2.96Å; A156-N159 HydrophobicContact CB-CB 4.35Å; A156-N159 WeakPolarHBondContact O-CA 3.34Å; A156-N159 VanDerWaalsContact O-CB 3.24Å; A156-N159 WeakPolarHBondContact O-CB 3.27Å; A156-N159 PolarHBondContact O-N 3.37Å; A156-C160 PolarHBondContact O-N 2.82Å | ||
| 157 | V | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.9 | -37.9 | 177.4 | 69.9 | 0 | 0 | 0 | 0 | 112 | V131 T136 N159 C160 L161 F204 V237 L241 V263 | V131-V157 HydrophobicContact CB-CG1 3.85Å; V131-V157 HydrophobicContact CG1-CG1 3.82Å; T136-V157 WeakPolarHBondContact OG1-CG1 3.37Å; T136-V157 PolarHBondContact OG1-N 3.48Å; V157-N159 VanDerWaalsContact C-N 3.31Å; V157-N159 PolarHBondContact O-N 3.08Å; V157-C160 WeakPolarHBondContact O-CB 3.33Å; V157-C160 PolarHBondContact O-N 3.18Å; V157-L161 WeakPolarHBondContact O-CG 3.14Å; V157-L161 PolarHBondContact O-N 3.5Å; V157-F204 HydrophobicContact CB-CD2 4.45Å; V157-F204 HydrophobicContact CB-CE1 4.16Å; V157-F204 HydrophobicContact CB-CE2 3.97Å; V157-F204 HydrophobicContact CB-CZ 3.81Å; V157-F204 HydrophobicContact CG2-CD1 4.34Å; V157-F204 HydrophobicContact CG2-CE1 3.92Å; V157-F204 HydrophobicContact CG2-CZ 4.05Å; V157-V237 HydrophobicContact CG2-CB 3.91Å; V157-V237 HydrophobicContact CG2-CG2 3.74Å; V157-L241 HydrophobicContact CB-CD1 4.45Å; V157-L241 HydrophobicContact CG1-CD1 4.11Å; V157-L241 HydrophobicContact CG2-CD1 4.15Å; V157-V263 HydrophobicContact CG1-CB 4.44Å; V157-V263 HydrophobicContact CG1-CG1 4.23Å; V157-V263 HydrophobicContact CG1-CG2 4.19Å |
| 158 | G | 98.1 | Very high | 97.9 | Very high | 2 Ų | 2 | 31.9 Ų | 31.9 | 2% | 0.021 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.3 | -35.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | S132 A156 C160 L161 D162 | S132-G158 WeakPolarHBondContact O-CA 3.46Å; S132-G158 PolarHBondContact O-N 2.85Å; S132-G158 VanDerWaalsContact O-N 3.15Å; A156-G158 VanDerWaalsContact C-N 3.27Å; A156-G158 PolarHBondContact O-N 2.96Å; G158-C160 VanDerWaalsContact C-N 3.33Å; G158-C160 PolarHBondContact O-N 3Å; G158-L161 PolarHBondContact O-N 3.16Å; G158-D162 WeakPolarHBondContact O-CB 3.47Å; G158-D162 PolarHBondContact O-N 3.23Å |
| 159 | N | 98 | Very high | 97.7 | Very high | 47 Ų | 47 | 38 Ų | 38 | 25% | 0.251 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -63.4 | -40.3 | 173.1 | -169.2 | -94.8 | 0 | 0 | 0 | 111.8 | G133 I155 A156 V157 D162 R163 | G133-N159 WeakPolarHBondContact O-CB 3.41Å; I155-N159 HydrophobicContact CB-CB 4.32Å; A156-N159 HydrophobicContact CB-CB 4.35Å; A156-N159 WeakPolarHBondContact O-CA 3.34Å; A156-N159 VanDerWaalsContact O-CB 3.24Å; A156-N159 WeakPolarHBondContact O-CB 3.27Å; A156-N159 PolarHBondContact O-N 3.37Å; V157-N159 VanDerWaalsContact C-N 3.31Å; V157-N159 PolarHBondContact O-N 3.08Å; N159-D162 PolarHBondContact O-N 3.18Å; N159-R163 VanDerWaalsContact O-CB 3.32Å; N159-R163 WeakPolarHBondContact O-CB 3.42Å; N159-R163 VanDerWaalsContact O-CG 3.28Å; N159-R163 WeakPolarHBondContact O-CG 3.39Å; N159-R163 PolarHBondContact O-N 2.97Å; N159-R163 WeakPolarHBondContact OD1-CD 3.46Å |
| 160 | C | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.5 | -50.2 | 174.9 | -176.4 | 0 | 0 | 0 | 0 | 111.2 | I155 A156 V157 G158 R163 F164 F204 | I155-C160 HydrophobicContact CD1-CB 4.04Å; A156-C160 PolarHBondContact O-N 2.82Å; V157-C160 WeakPolarHBondContact O-CB 3.33Å; V157-C160 PolarHBondContact O-N 3.18Å; G158-C160 VanDerWaalsContact C-N 3.33Å; G158-C160 PolarHBondContact O-N 3Å; C160-R163 PolarHBondContact O-N 2.79Å; C160-F164 WeakPolarHBondContact O-CB 3.33Å; C160-F164 PolarHBondContact O-N 2.99Å; C160-F204 HydrophobicContact CB-CB 4.05Å |
| 161 | L | 98.5 | Very high | 97.7 | Very high | 5 Ų | 5 | 38.8 Ų | 38.8 | 3% | 0.026 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.4 | -46.9 | 177.3 | -65 | 167.7 | 0 | 0 | 0 | 111.7 | V157 G158 R163 F164 A165 I180 L233 F238 V263 | V157-L161 WeakPolarHBondContact O-CG 3.14Å; V157-L161 PolarHBondContact O-N 3.5Å; G158-L161 PolarHBondContact O-N 3.16Å; L161-R163 PolarHBondContact O-N 2.98Å; L161-F164 PolarHBondContact O-N 3.47Å; L161-A165 WeakPolarHBondContact O-CB 3.44Å; L161-A165 PolarHBondContact O-N 3.1Å; L161-I180 HydrophobicContact CD2-CG2 4.2Å; L161-L233 HydrophobicContact CD2-CD2 3.93Å; L161-L233 HydrophobicContact CD2-CG 4.22Å; L161-F238 HydrophobicContact CD1-CE1 4.35Å; L161-V263 HydrophobicContact CD1-CG1 4.09Å; L161-V263 HydrophobicContact CD1-CG2 4.4Å |
| 162 | D | 97.9 | Very high | 97.6 | Very high | 35 Ų | 35 | 37.1 Ų | 37.1 | 19% | 0.187 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67.6 | -33.9 | -178.4 | -68.5 | 3.6 | 0 | 0 | 0 | 112.6 | G158 N159 R166 P176 | G158-D162 WeakPolarHBondContact O-CB 3.47Å; G158-D162 PolarHBondContact O-N 3.23Å; N159-D162 PolarHBondContact O-N 3.18Å; D162-R166 WeakPolarHBondContact O-CG 3.49Å; D162-R166 PolarHBondContact O-N 3.47Å; D162-R166 PolarHBondContact O-NE 2.93Å; D162-R166 VanDerWaalsContact O-NE 3.12Å; D162-P176 HydrophobicContact CB-CG 4.11Å; D162-P176 VanDerWaalsContact OD1-CG 3.27Å; D162-P176 WeakPolarHBondContact OD1-CG 3.22Å |
| 163 | R | 97.7 | Very high | 97.6 | Very high | 88 Ų | 88 | 40.9 Ų | 40.9 | 33% | 0.332 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -70.6 | -43.4 | 173.7 | -77.5 | -178.6 | 65.9 | -167.1 | -13 | 111.3 | N159 C160 L161 A165 R166 V167 L208 E212 | N159-R163 VanDerWaalsContact O-CB 3.32Å; N159-R163 WeakPolarHBondContact O-CB 3.42Å; N159-R163 VanDerWaalsContact O-CG 3.28Å; N159-R163 WeakPolarHBondContact O-CG 3.39Å; N159-R163 PolarHBondContact O-N 2.97Å; N159-R163 WeakPolarHBondContact OD1-CD 3.46Å; C160-R163 PolarHBondContact O-N 2.79Å; L161-R163 PolarHBondContact O-N 2.98Å; R163-A165 VanDerWaalsContact C-N 3.32Å; R163-A165 PolarHBondContact O-N 3.5Å; R163-R166 WeakPolarHBondContact O-CB 3.34Å; R163-R166 PolarHBondContact O-N 3.42Å; R163-R166 VanDerWaalsContact O-N 3.09Å; R163-V167 WeakPolarHBondContact O-CG2 3.19Å; R163-V167 PolarHBondContact O-N 2.92Å; R163-V167 VanDerWaalsContact O-N 3.1Å; R163-L208 HydrophobicContact CB-CD1 4Å; R163-L208 HydrophobicContact CB-CD2 3.61Å; R163-L208 HydrophobicContact CB-CG 4.45Å; R163-L208 HydrophobicContact CG-CD2 4.15Å; R163-L208 VanDerWaalsContact NE-CD2 3.33Å; R163-E212 IonicContact NH2-OE1 3.56Å |
| 164 | F | 97.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.8 | -40.9 | 176.4 | -175 | -116.9 | 0 | 0 | 0 | 112 | C160 L161 R166 V167 L168 I180 L208 I211 A215 L229 L233 | C160-F164 WeakPolarHBondContact O-CB 3.33Å; C160-F164 PolarHBondContact O-N 2.99Å; L161-F164 PolarHBondContact O-N 3.47Å; F164-R166 PolarHBondContact O-N 2.82Å; F164-V167 WeakPolarHBondContact O-CB 3.4Å; F164-V167 PolarHBondContact O-N 2.66Å; F164-V167 VanDerWaalsContact O-N 3.14Å; F164-L168 HydrophobicContact CD1-CD1 4.25Å; F164-L168 HydrophobicContact CE1-CD1 3.45Å; F164-L168 VanDerWaalsContact CE1-CD1 3.45Å; F164-L168 HydrophobicContact CE1-CG 4.24Å; F164-L168 HydrophobicContact CE2-CD1 4.14Å; F164-L168 HydrophobicContact CE2-CG 4.13Å; F164-L168 HydrophobicContact CZ-CD1 3.38Å; F164-L168 HydrophobicContact CZ-CD2 4.35Å; F164-L168 HydrophobicContact CZ-CG 3.88Å; F164-L168 PolarHBondContact O-N 2.83Å; F164-L168 VanDerWaalsContact O-N 3.13Å; F164-I180 HydrophobicContact CD1-CD1 3.65Å; F164-I180 HydrophobicContact CE1-CD1 4.3Å; F164-L208 HydrophobicContact CB-CD1 4.07Å; F164-I211 HydrophobicContact CD1-CD1 4.46Å; F164-I211 HydrophobicContact CD2-CB 4.48Å; F164-I211 HydrophobicContact CD2-CD1 4.2Å; F164-I211 HydrophobicContact CD2-CG1 4.25Å; F164-I211 HydrophobicContact CD2-CG2 3.55Å; F164-I211 HydrophobicContact CE1-CD1 4.01Å; F164-I211 HydrophobicContact CE2-CB 4.28Å; F164-I211 HydrophobicContact CE2-CD1 3.73Å; F164-I211 HydrophobicContact CE2-CG1 3.65Å; F164-I211 HydrophobicContact CE2-CG2 3.82Å; F164-I211 HydrophobicContact CG-CG2 4.27Å; F164-I211 HydrophobicContact CZ-CD1 3.63Å; F164-I211 HydrophobicContact CZ-CG1 3.95Å; F164-A215 HydrophobicContact CE2-CB 4.18Å; F164-L229 HydrophobicContact CE1-CB 4.12Å; F164-L229 HydrophobicContact CZ-CB 3.63Å; F164-L229 HydrophobicContact CZ-CD1 4.22Å; F164-L233 HydrophobicContact CB-CD2 3.77Å; F164-L233 HydrophobicContact CD1-CD2 3.42Å; F164-L233 VanDerWaalsContact CD1-CD2 3.42Å; F164-L233 HydrophobicContact CE1-CD2 4.2Å; F164-L233 HydrophobicContact CG-CD2 3.69Å |
| 165 | A | 97.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -56.4 | -39.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L161 R163 L168 K169 I170 P176 I180 | L161-A165 WeakPolarHBondContact O-CB 3.44Å; L161-A165 PolarHBondContact O-N 3.1Å; R163-A165 VanDerWaalsContact C-N 3.32Å; R163-A165 PolarHBondContact O-N 3.5Å; A165-L168 CarbonylContact O-C 3.57Å; A165-L168 PolarHBondContact O-N 2.92Å; A165-K169 PolarHBondContact O-N 3.11Å; A165-I170 HydrophobicContact CB-CB 4.14Å; A165-I170 PolarHBondContact O-N 2.85Å; A165-P176 HydrophobicContact CB-CB 3.55Å; A165-I180 HydrophobicContact CB-CD1 4.01Å; A165-I180 HydrophobicContact CB-CG1 3.99Å |
| 166 | R | 96.2 | Very high | 97.3 | Very high | 75 Ų | 75 | 38.5 Ų | 38.5 | 28% | 0.283 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -66.9 | -40.2 | 176.9 | -74.4 | 177.2 | -80.1 | 176.6 | -18.7 | 112.9 | G37 T38 D162 R163 F164 L168 K169 | G37-R166 WeakPolarHBondContact CA-O 3.43Å; T38-R166 VanDerWaalsContact C-CD 3.45Å; T38-R166 WeakPolarHBondContact O-CD 3.39Å; D162-R166 WeakPolarHBondContact O-CG 3.49Å; D162-R166 PolarHBondContact O-N 3.47Å; D162-R166 PolarHBondContact O-NE 2.93Å; D162-R166 VanDerWaalsContact O-NE 3.12Å; R163-R166 WeakPolarHBondContact O-CB 3.34Å; R163-R166 PolarHBondContact O-N 3.42Å; R163-R166 VanDerWaalsContact O-N 3.09Å; F164-R166 PolarHBondContact O-N 2.82Å; R166-L168 VanDerWaalsContact C-N 3.29Å; R166-L168 PolarHBondContact O-N 2.81Å; R166-K169 PolarHBondContact O-N 3.24Å |
| 167 | V | 93.8 | Very high | 97.3 | Very high | 46 Ų | 46 | 39 Ų | 39 | 28% | 0.279 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -59.7 | -44 | 177.6 | 173.1 | 0 | 0 | 0 | 0 | 110.2 | R163 F164 K169 E212 | R163-V167 WeakPolarHBondContact O-CG2 3.19Å; R163-V167 PolarHBondContact O-N 2.92Å; R163-V167 VanDerWaalsContact O-N 3.1Å; F164-V167 WeakPolarHBondContact O-CB 3.4Å; F164-V167 PolarHBondContact O-N 2.66Å; F164-V167 VanDerWaalsContact O-N 3.14Å; V167-K169 VanDerWaalsContact C-N 3.26Å; V167-K169 PolarHBondContact O-N 2.63Å; V167-E212 HydrophobicContact CB-CG 4.48Å; V167-E212 HydrophobicContact CG1-CG 4.32Å; V167-E212 HydrophobicContact CG2-CG 3.62Å |
| 168 | L | 95.1 | Very high | 97.2 | Very high | 33 Ų | 33 | 43 Ų | 43 | 17% | 0.173 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | 0.9 | 176.6 | -62.6 | -173.9 | 0 | 0 | 0 | 114.4 | F164 A165 R166 I170 A215 L219 P226 | F164-L168 HydrophobicContact CD1-CD1 4.25Å; F164-L168 HydrophobicContact CE1-CD1 3.45Å; F164-L168 VanDerWaalsContact CE1-CD1 3.45Å; F164-L168 HydrophobicContact CE1-CG 4.24Å; F164-L168 HydrophobicContact CE2-CD1 4.14Å; F164-L168 HydrophobicContact CE2-CG 4.13Å; F164-L168 HydrophobicContact CZ-CD1 3.38Å; F164-L168 HydrophobicContact CZ-CD2 4.35Å; F164-L168 HydrophobicContact CZ-CG 3.88Å; F164-L168 PolarHBondContact O-N 2.83Å; F164-L168 VanDerWaalsContact O-N 3.13Å; A165-L168 CarbonylContact O-C 3.57Å; A165-L168 PolarHBondContact O-N 2.92Å; R166-L168 VanDerWaalsContact C-N 3.29Å; R166-L168 PolarHBondContact O-N 2.81Å; L168-I170 HydrophobicContact CB-CD1 3.75Å; L168-I170 HydrophobicContact CB-CG1 3.78Å; L168-I170 HydrophobicContact CD1-CD1 3.78Å; L168-I170 HydrophobicContact CG-CD1 4.39Å; L168-I170 PolarHBondContact O-N 2.92Å; L168-A215 HydrophobicContact CD2-CB 4.19Å; L168-L219 HydrophobicContact CD2-CD1 3.57Å; L168-P226 HydrophobicContact CD1-CB 4.23Å |
| 169 | K | 96.6 | Very high | 97.3 | Very high | 158 Ų | 158 | 44.3 Ų | 44.3 | 69% | 0.687 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 34.4 | -174 | -61.2 | 173.5 | 176.5 | -78.1 | 0 | 113.3 | P36 A165 R166 V167 | P36-K169 WeakPolarHBondContact CB-O 3.42Å; A165-K169 PolarHBondContact O-N 3.11Å; R166-K169 PolarHBondContact O-N 3.24Å; V167-K169 VanDerWaalsContact C-N 3.26Å; V167-K169 PolarHBondContact O-N 2.63Å |
| 170 | I | 97.7 | Very high | 97.3 | Very high | 15 Ų | 15 | 42.1 Ų | 42.1 | 8% | 0.077 | 22% | 0.217 | C | C | . | . | trans | -67.4 | 147.9 | 172.9 | -65.5 | 167.2 | 0 | 0 | 0 | 109.1 | A165 L168 N179 I180 M183 | A165-I170 HydrophobicContact CB-CB 4.14Å; A165-I170 PolarHBondContact O-N 2.85Å; L168-I170 HydrophobicContact CB-CD1 3.75Å; L168-I170 HydrophobicContact CB-CG1 3.78Å; L168-I170 HydrophobicContact CD1-CD1 3.78Å; L168-I170 HydrophobicContact CG-CD1 4.39Å; L168-I170 PolarHBondContact O-N 2.92Å; I170-N179 HydrophobicContact CG2-CB 3.48Å; I170-N179 VanDerWaalsContact CG2-CB 3.48Å; I170-I180 HydrophobicContact CD1-CD1 3.92Å; I170-I180 HydrophobicContact CD1-CG1 4.42Å; I170-M183 HydrophobicContact CD1-CE 3.95Å; I170-M183 HydrophobicContact CD1-SD 3.35Å; I170-M183 WeakPolarHBondContact CD1-SD 3.29Å; I170-M183 HydrophobicContact CG1-CE 4.24Å; I170-M183 HydrophobicContact CG1-SD 3.59Å; I170-M183 VanDerWaalsContact CG1-SD 3.59Å; I170-M183 HydrophobicContact CG2-SD 4.12Å | ||
| 171 | S | 98.1 | Very high | 97.3 | Very high | 51 Ų | 51 | 42.6 Ų | 42.6 | 36% | 0.357 | 22% | 0.22 | S | C | . | . | trans | -59.7 | 144.5 | 179.4 | -177.9 | 0 | 0 | 0 | 0 | 112.1 | D173 N179 | S171-D173 PolarHBondContact OG-N 2.99Å; S171-D173 PolarHBondContact OG-O 3.33Å; S171-N179 PolarHBondContact O-ND2 2.88Å | ||
| 172 | N | 98.1 | Very high | 97.3 | Very high | 15 Ų | 15 | 45.1 Ų | 45.1 | 8% | 0.08 | 23% | 0.232 | C | C | . | . | trans | -90.8 | 0.2 | 170.3 | -69.9 | -40.1 | 0 | 0 | 0 | 113 | V33 T34 P35 T38 P174 S175 | V33-N172 HydrophobicContact CG1-CB 3.99Å; T34-N172 WeakPolarHBondContact O-CB 3.4Å; T34-N172 PolarHBondContact O-ND2 3.25Å; T34-N172 PolarHBondContact OG1-ND2 3.44Å; P35-N172 PolarHBondContact O-ND2 3.02Å; T38-N172 PolarHBondContact O-ND2 2.9Å; N172-P174 CarbonylContact O-C 3.59Å; N172-S175 VanDerWaalsContact O-CA 3.23Å; N172-S175 WeakPolarHBondContact O-CA 3.44Å; N172-S175 PolarHBondContact O-N 3.2Å | ||
| 173 | D | 97.4 | Very high | 97.3 | Very high | 102 Ų | 102 | 44.7 Ų | 44.7 | 55% | 0.545 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -106.2 | 125.6 | 179.2 | -172.4 | 32.2 | 0 | 0 | 0 | 110.9 | V33 S171 N179 | V33-D173 HydrophobicContact CG1-CB 4.03Å; S171-D173 PolarHBondContact OG-N 2.99Å; S171-D173 PolarHBondContact OG-O 3.33Å; D173-N179 PolarHBondContact O-ND2 2.68Å |
| 174 | P | 95.6 | Very high | 97.4 | Very high | 72 Ų | 72 | 40.8 Ų | 40.8 | 47% | 0.468 | 22% | 0.215 | S | C | . | . | S | Bend | cis | -75.6 | -24.2 | -3.5 | 31.1 | -35.7 | 0 | 0 | 0 | 113.6 | N172 Y178 | N172-P174 CarbonylContact O-C 3.59Å; P174-Y178 HydrophobicContact CG-CD1 3.71Å; P174-Y178 HydrophobicContact CG-CE1 4.24Å; P174-Y178 HydrophobicContact CG-CG 4.13Å |
| 175 | S | 97.3 | Very high | 97.4 | Very high | 43 Ų | 43 | 46.2 Ų | 46.2 | 30% | 0.301 | 24% | 0.239 | S | C | . | . | trans | -157 | 151.3 | 167.6 | 69.8 | 0 | 0 | 0 | 0 | 110.2 | N172 G177 Y178 N179 | N172-S175 VanDerWaalsContact O-CA 3.23Å; N172-S175 WeakPolarHBondContact O-CA 3.44Å; N172-S175 PolarHBondContact O-N 3.2Å; S175-G177 VanDerWaalsContact C-N 3.33Å; S175-G177 PolarHBondContact O-N 3.45Å; S175-Y178 PolarHBondContact O-N 2.93Å; S175-Y178 VanDerWaalsContact OG-CB 3.25Å; S175-Y178 WeakPolarHBondContact OG-CB 3.23Å; S175-Y178 PolarHBondContact OG-N 3.36Å; S175-Y178 VanDerWaalsContact OG-N 3.14Å; S175-N179 PolarHBondContact O-N 3.34Å; S175-N179 VanDerWaalsContact O-N 3.13Å; S175-N179 PolarHBondContact O-ND2 2.89Å | ||
| 176 | P | 97.3 | Very high | 97.5 | Very high | 14 Ų | 14 | 52.5 Ų | 52.5 | 9% | 0.091 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.8 | -42.2 | 174.2 | 21.1 | -31.6 | 0 | 0 | 0 | 112.6 | D162 A165 Y178 N179 I180 | D162-P176 HydrophobicContact CB-CG 4.11Å; D162-P176 VanDerWaalsContact OD1-CG 3.27Å; D162-P176 WeakPolarHBondContact OD1-CG 3.22Å; A165-P176 HydrophobicContact CB-CB 3.55Å; P176-Y178 PolarHBondContact O-N 3.05Å; P176-N179 PolarHBondContact O-N 3.32Å; P176-I180 VanDerWaalsContact O-CG1 3.23Å; P176-I180 WeakPolarHBondContact O-CG1 3.49Å; P176-I180 PolarHBondContact O-N 2.99Å |
| 177 | G | 97.4 | Very high | 97.5 | Very high | 19 Ų | 19 | 49.4 Ų | 49.4 | 20% | 0.196 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.9 | -43.1 | 177 | 0 | 0 | 0 | 0 | 0 | 113.7 | S175 I180 E181 | S175-G177 VanDerWaalsContact C-N 3.33Å; S175-G177 PolarHBondContact O-N 3.45Å; G177-I180 PolarHBondContact O-N 3.34Å; G177-E181 PolarHBondContact O-N 2.61Å; G177-E181 VanDerWaalsContact O-N 3.07Å |
| 178 | Y | 97.8 | Very high | 97.7 | Very high | 84 Ų | 84 | 55.8 Ų | 55.8 | 33% | 0.329 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.3 | -44.2 | 174.5 | 179.7 | -95.2 | 0 | 0 | 0 | 111.4 | P174 S175 P176 I180 E181 Q182 | P174-Y178 HydrophobicContact CG-CD1 3.71Å; P174-Y178 HydrophobicContact CG-CE1 4.24Å; P174-Y178 HydrophobicContact CG-CG 4.13Å; S175-Y178 PolarHBondContact O-N 2.93Å; S175-Y178 VanDerWaalsContact OG-CB 3.25Å; S175-Y178 WeakPolarHBondContact OG-CB 3.23Å; S175-Y178 PolarHBondContact OG-N 3.36Å; S175-Y178 VanDerWaalsContact OG-N 3.14Å; P176-Y178 PolarHBondContact O-N 3.05Å; Y178-I180 PolarHBondContact O-N 3.11Å; Y178-E181 VanDerWaalsContact O-CB 3.3Å; Y178-E181 WeakPolarHBondContact O-CB 3.46Å; Y178-E181 PolarHBondContact O-N 3.36Å; Y178-E181 VanDerWaalsContact O-N 3.12Å; Y178-Q182 HydrophobicContact CD1-CG 3.92Å; Y178-Q182 HydrophobicContact CE1-CG 3.52Å; Y178-Q182 HydrophobicContact CE2-CG 4.42Å; Y178-Q182 WeakPolarHBondContact O-CG 3.41Å; Y178-Q182 PolarHBondContact O-N 3.3Å |
| 179 | N | 98.6 | Very high | 97.7 | Very high | 29 Ų | 29 | 58.5 Ų | 58.5 | 16% | 0.155 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.9 | -36.7 | -179.9 | -70 | -36.7 | 0 | 0 | 0 | 112.7 | I170 S171 D173 S175 P176 E181 Q182 M183 | I170-N179 HydrophobicContact CG2-CB 3.48Å; I170-N179 VanDerWaalsContact CG2-CB 3.48Å; S171-N179 PolarHBondContact O-ND2 2.88Å; D173-N179 PolarHBondContact O-ND2 2.68Å; S175-N179 PolarHBondContact O-N 3.34Å; S175-N179 VanDerWaalsContact O-N 3.13Å; S175-N179 PolarHBondContact O-ND2 2.89Å; P176-N179 PolarHBondContact O-N 3.32Å; N179-E181 VanDerWaalsContact C-N 3.3Å; N179-E181 PolarHBondContact O-N 2.78Å; N179-Q182 PolarHBondContact O-N 3.41Å; N179-M183 VanDerWaalsContact O-CG 3.28Å; N179-M183 WeakPolarHBondContact O-CG 3.35Å; N179-M183 PolarHBondContact O-N 2.65Å |
| 180 | I | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57.7 | -45.1 | 170 | -67.7 | -98.9 | 0 | 0 | 0 | 110.1 | L161 F164 A165 I170 P176 G177 Y178 M183 A184 C230 Q234 | L161-I180 HydrophobicContact CD2-CG2 4.2Å; F164-I180 HydrophobicContact CD1-CD1 3.65Å; F164-I180 HydrophobicContact CE1-CD1 4.3Å; A165-I180 HydrophobicContact CB-CD1 4.01Å; A165-I180 HydrophobicContact CB-CG1 3.99Å; I170-I180 HydrophobicContact CD1-CD1 3.92Å; I170-I180 HydrophobicContact CD1-CG1 4.42Å; P176-I180 VanDerWaalsContact O-CG1 3.23Å; P176-I180 WeakPolarHBondContact O-CG1 3.49Å; P176-I180 PolarHBondContact O-N 2.99Å; G177-I180 PolarHBondContact O-N 3.34Å; Y178-I180 PolarHBondContact O-N 3.11Å; I180-M183 PolarHBondContact O-N 3.38Å; I180-A184 WeakPolarHBondContact O-CB 3.34Å; I180-A184 PolarHBondContact O-N 3.35Å; I180-C230 HydrophobicContact CG2-CB 4.09Å; I180-Q234 HydrophobicContact CG2-CG 4.25Å |
| 181 | E | 98.6 | Very high | 97.8 | Very high | 10 Ų | 10 | 55.9 Ų | 55.9 | 5% | 0.047 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.6 | -44.1 | 177.2 | -175.8 | -175.4 | 168.1 | 0 | 0 | 113 | G177 Y178 N179 M183 A184 K185 N266 V267 | G177-E181 PolarHBondContact O-N 2.61Å; G177-E181 VanDerWaalsContact O-N 3.07Å; Y178-E181 VanDerWaalsContact O-CB 3.3Å; Y178-E181 WeakPolarHBondContact O-CB 3.46Å; Y178-E181 PolarHBondContact O-N 3.36Å; Y178-E181 VanDerWaalsContact O-N 3.12Å; N179-E181 VanDerWaalsContact C-N 3.3Å; N179-E181 PolarHBondContact O-N 2.78Å; E181-M183 VanDerWaalsContact C-N 3.27Å; E181-M183 PolarHBondContact O-N 3.4Å; E181-A184 PolarHBondContact O-N 3.04Å; E181-K185 WeakPolarHBondContact O-CG 3.3Å; E181-K185 PolarHBondContact O-N 3.44Å; E181-K185 IonicContact OE1-NZ 2.62Å; E181-N266 WeakPolarHBondContact CB-ND2 3.12Å; E181-N266 VanDerWaalsContact CG-ND2 3.35Å; E181-N266 WeakPolarHBondContact CG-ND2 3.34Å; E181-N266 WeakPolarHBondContact OE2-CA 3.39Å; E181-N266 PolarHBondContact OE2-ND2 3.03Å; E181-V267 WeakPolarHBondContact OE1-CG2 3.19Å; E181-V267 PolarHBondContact OE1-N 3.17Å; E181-V267 VanDerWaalsContact OE1-N 3.14Å |
| 182 | Q | 98.7 | Very high | 97.7 | Very high | 59 Ų | 59 | 61.7 Ų | 61.7 | 28% | 0.276 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.9 | -34.8 | 177.6 | -62.1 | -57.1 | 89.3 | 0 | 0 | 111.9 | Y178 N179 R186 | Y178-Q182 HydrophobicContact CD1-CG 3.92Å; Y178-Q182 HydrophobicContact CE1-CG 3.52Å; Y178-Q182 HydrophobicContact CE2-CG 4.42Å; Y178-Q182 WeakPolarHBondContact O-CG 3.41Å; Y178-Q182 PolarHBondContact O-N 3.3Å; N179-Q182 PolarHBondContact O-N 3.41Å; Q182-R186 PolarHBondContact O-NH1 3.09Å |
| 183 | M | 98.6 | Very high | 97.7 | Very high | 26 Ų | 26 | 62 Ų | 62 | 13% | 0.128 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -70.6 | -43.4 | 173.9 | -69.1 | -179.6 | 68.9 | 0 | 0 | 112.3 | I170 N179 I180 E181 K185 R186 P226 E227 C230 | I170-M183 HydrophobicContact CD1-CE 3.95Å; I170-M183 HydrophobicContact CD1-SD 3.35Å; I170-M183 WeakPolarHBondContact CD1-SD 3.29Å; I170-M183 HydrophobicContact CG1-CE 4.24Å; I170-M183 HydrophobicContact CG1-SD 3.59Å; I170-M183 VanDerWaalsContact CG1-SD 3.59Å; I170-M183 HydrophobicContact CG2-SD 4.12Å; N179-M183 VanDerWaalsContact O-CG 3.28Å; N179-M183 WeakPolarHBondContact O-CG 3.35Å; N179-M183 PolarHBondContact O-N 2.65Å; I180-M183 PolarHBondContact O-N 3.38Å; E181-M183 VanDerWaalsContact C-N 3.27Å; E181-M183 PolarHBondContact O-N 3.4Å; M183-K185 PolarHBondContact O-N 2.96Å; M183-R186 PolarHBondContact O-N 2.66Å; M183-P226 HydrophobicContact CE-CB 3.55Å; M183-E227 HydrophobicContact CB-CG 4.37Å; M183-E227 WeakPolarHBondContact O-CB 3.34Å; M183-E227 WeakPolarHBondContact O-CG 3.28Å; M183-C230 HydrophobicContact CB-CB 3.97Å |
| 184 | A | 98.6 | Very high | 97.7 | Very high | 6 Ų | 6 | 59.1 Ų | 59.1 | 5% | 0.05 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -56.2 | -36.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | I180 E181 R186 G187 C230 F231 Q234 | I180-A184 WeakPolarHBondContact O-CB 3.34Å; I180-A184 PolarHBondContact O-N 3.35Å; E181-A184 PolarHBondContact O-N 3.04Å; A184-R186 PolarHBondContact O-N 3.04Å; A184-G187 PolarHBondContact O-N 3.05Å; A184-C230 HydrophobicContact CB-CB 4.11Å; A184-F231 HydrophobicContact CB-CB 4.33Å; A184-Q234 HydrophobicContact CB-CG 4.42Å |
| 185 | K | 98.4 | Very high | 97.9 | Very high | 114 Ų | 114 | 61 Ų | 61 | 50% | 0.496 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -22.4 | 176 | -70.8 | 169.4 | -175.8 | 167.5 | 0 | 114.1 | E181 M183 | E181-K185 WeakPolarHBondContact O-CG 3.3Å; E181-K185 PolarHBondContact O-N 3.44Å; E181-K185 IonicContact OE1-NZ 2.62Å; M183-K185 PolarHBondContact O-N 2.96Å |
| 186 | R | 98.3 | Very high | 97.9 | Very high | 132 Ų | 132 | 60.8 Ų | 60.8 | 50% | 0.498 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | -12.3 | 179.1 | -61.7 | -171.9 | -57.8 | -86.8 | 7.4 | 113.1 | Q182 M183 A184 E227 | Q182-R186 PolarHBondContact O-NH1 3.09Å; M183-R186 PolarHBondContact O-N 2.66Å; A184-R186 PolarHBondContact O-N 3.04Å; R186-E227 HydrophobicContact CB-CB 4.21Å; R186-E227 HydrophobicContact CB-CG 3.72Å; R186-E227 IonicContact CZ-OE1 3.66Å; R186-E227 IonicContact NE-OE1 3.56Å; R186-E227 IonicContact NH2-OE1 2.86Å; R186-E227 PolarHBondContact NH2-OE1 2.79Å |
| 187 | G | 97.8 | Very high | 98 | Very high | 9 Ų | 9 | 61.4 Ų | 61.4 | 9% | 0.093 | 29% | 0.291 | C | S | . | . | trans | -61.7 | 145.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | A184 | A184-G187 PolarHBondContact O-N 3.05Š| ||
| 188 | K | 96.6 | Very high | 98.1 | Very high | 180 Ų | 180 | 66.2 Ų | 66.2 | 78% | 0.783 | 31% | 0.306 | S | S | * | . | trans | -130 | -16.5 | -178.9 | -61 | -63.1 | 170.6 | -163.6 | 0 | 113 | D228 | K188-D228 PolarHBondContact N-OD1 3.33Š| ||
| 189 | K | 96.9 | Very high | 98.1 | Very high | 90 Ų | 90 | 64.3 Ų | 64.3 | 39% | 0.391 | 31% | 0.312 | S | S | . | . | trans | -116.7 | 122.6 | -177 | -175.5 | 168.3 | 178.5 | -86.6 | 0 | 110.5 | E223 D228 S232 | K189-E223 PolarHBondContact NZ-O 3.47Å; K189-D228 HydrophobicContact CB-CB 4.23Å; K189-D228 PolarHBondContact N-OD1 3.11Å; K189-S232 PolarHBondContact O-OG 3.38Å | ||
| 190 | L | 97.8 | Very high | 98.1 | Very high | 105 Ų | 105 | 65.5 Ų | 65.5 | 55% | 0.55 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -79.9 | 118.6 | 169.9 | -174.5 | 62.4 | 0 | 0 | 0 | 109.2 | F231 E235 | L190-F231 HydrophobicContact CB-CE1 3.97Å; L190-F231 HydrophobicContact CD1-CE1 4.08Å; L190-E235 HydrophobicContact CD1-CB 4.29Å |
| 191 | V | 96.9 | Very high | 98.1 | Very high | 13 Ų | 13 | 68.1 Ų | 68.1 | 8% | 0.079 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -94.9 | 125.4 | 169.1 | -179 | 0 | 0 | 0 | 0 | 107.4 | L193 V214 M218 C224 L229 S232 | V191-L193 PolarHBondContact O-N 3.39Å; V191-V214 HydrophobicContact CG1-CG1 4.16Å; V191-M218 HydrophobicContact CG1-SD 4.12Å; V191-M218 HydrophobicContact CG2-CE 4.28Å; V191-M218 HydrophobicContact CG2-SD 4.47Å; V191-C224 HydrophobicContact CG2-CB 4.34Å; V191-L229 HydrophobicContact CB-CD2 4.42Å; V191-L229 HydrophobicContact CG2-CD2 4.07Å; V191-S232 PolarHBondContact N-OG 3.21Å; V191-S232 WeakPolarHBondContact O-CB 3.11Å |
| 192 | E | 96.9 | Very high | 98.1 | Very high | 174 Ų | 174 | 67.7 Ų | 67.7 | 81% | 0.813 | 33% | 0.329 | S | S | * | . | P | Polyproline II helix | trans | -65.7 | 126 | 178.2 | -65.8 | -175.5 | 123.8 | 0 | 0 | 110.3 | F210 | E192-F210 WeakPolarHBondContact O-CE1 3.34Š|
| 193 | L | 97.9 | Very high | 98.1 | Very high | 20 Ų | 20 | 65.8 Ų | 65.8 | 11% | 0.105 | 32% | 0.322 | C | S | . | . | trans | -118.8 | 157.7 | 175.9 | -60.9 | 177.1 | 0 | 0 | 0 | 109.3 | V191 Y195 I207 F210 I211 L233 T236 | V191-L193 PolarHBondContact O-N 3.39Å; L193-Y195 PolarHBondContact O-N 3.5Å; L193-I207 HydrophobicContact CB-CG2 4.44Å; L193-I207 HydrophobicContact CD1-CG2 4.36Å; L193-F210 HydrophobicContact CD2-CD1 3.68Å; L193-F210 HydrophobicContact CD2-CE1 3.9Å; L193-I211 HydrophobicContact CD1-CD1 3.83Å; L193-I211 HydrophobicContact CD1-CG1 4.47Å; L193-I211 HydrophobicContact CD2-CB 4.06Å; L193-I211 HydrophobicContact CD2-CD1 4.23Å; L193-I211 HydrophobicContact CD2-CG1 4Å; L193-L233 HydrophobicContact CD1-CB 4.32Å; L193-L233 HydrophobicContact CD1-CD1 4.19Å; L193-T236 HydrophobicContact CB-CG2 4.02Å | ||
| 194 | P | 98.3 | Very high | 98.1 | Very high | 42 Ų | 42 | 64.5 Ų | 64.5 | 27% | 0.273 | 32% | 0.316 | S | S | . | . | trans | -57.1 | 134.9 | 174.7 | -23 | 33.2 | 0 | 0 | 0 | 111.8 | T196 I207 F210 T236 | P194-T196 HydrophobicContact CB-CG2 4.18Å; P194-I207 HydrophobicContact CB-CG1 4.37Å; P194-I207 WeakPolarHBondContact O-CD1 3.39Å; P194-I207 WeakPolarHBondContact O-CG1 3.36Å; P194-F210 HydrophobicContact CG-CB 4.02Å; P194-F210 HydrophobicContact CG-CD1 4.31Å; P194-F210 HydrophobicContact CG-CD2 4.17Å; P194-F210 HydrophobicContact CG-CG 3.92Å; P194-T236 WeakPolarHBondContact O-CG2 3.34Å | ||
| 195 | Y | 98.6 | Very high | 98.1 | Very high | 111 Ų | 111 | 66.3 Ų | 66.3 | 44% | 0.435 | 33% | 0.328 | S | S | . | . | trans | -108.4 | 105.3 | 175.7 | -167.2 | -81.2 | 0 | 0 | 0 | 109.9 | L193 V197 T236 A239 M240 E243 | L193-Y195 PolarHBondContact O-N 3.5Å; Y195-V197 HydrophobicContact CD1-CG2 4.25Å; Y195-V197 HydrophobicContact CE1-CB 4.21Å; Y195-V197 HydrophobicContact CE1-CG2 3.54Å; Y195-T236 HydrophobicContact CD2-CG2 4.4Å; Y195-A239 HydrophobicContact CE2-CB 3.89Å; Y195-A239 PolarHBondContact OH-O 3.46Å; Y195-M240 HydrophobicContact CD1-CG 4.22Å; Y195-M240 HydrophobicContact CD2-CG 3.74Å; Y195-M240 HydrophobicContact CE1-CG 3.98Å; Y195-M240 HydrophobicContact CE2-CB 4.44Å; Y195-M240 HydrophobicContact CE2-CG 3.48Å; Y195-M240 VanDerWaalsContact CE2-CG 3.48Å; Y195-M240 HydrophobicContact CG-CG 4.12Å; Y195-M240 WeakPolarHBondContact OH-CA 3.45Å; Y195-M240 PolarHBondContact OH-N 3.45Å; Y195-E243 WeakPolarHBondContact CE1-OE2 3.37Å; Y195-E243 VanDerWaalsContact CZ-OE2 3.24Å; Y195-E243 PolarHBondContact OH-OE2 2.96Å | ||
| 196 | T | 98.2 | Very high | 98 | Very high | 39 Ų | 39 | 62.5 Ų | 62.5 | 24% | 0.239 | 32% | 0.322 | C | S | . | . | trans | -121.7 | 56.7 | -160.3 | 42.4 | 0 | 0 | 0 | 0 | 114 | P194 S203 I207 M240 | P194-T196 HydrophobicContact CB-CG2 4.18Å; T196-S203 PolarHBondContact O-N 2.86Å; T196-S203 PolarHBondContact OG1-O 3.31Å; T196-I207 WeakPolarHBondContact OG1-CD1 3.2Å; T196-M240 WeakPolarHBondContact OG1-CE 3.45Å | ||
| 197 | V | 98.8 | Very high | 98 | Very high | 28 Ų | 28 | 56.2 Ų | 56.2 | 17% | 0.17 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 137.3 | 169.3 | 176.5 | 0 | 0 | 0 | 0 | 110.6 | Y195 V202 M240 I244 | Y195-V197 HydrophobicContact CD1-CG2 4.25Å; Y195-V197 HydrophobicContact CE1-CB 4.21Å; Y195-V197 HydrophobicContact CE1-CG2 3.54Å; V197-V202 HydrophobicContact CG2-CG1 4.25Å; V197-M240 HydrophobicContact CG2-CB 3.8Å; V197-M240 HydrophobicContact CG2-CE 4.49Å; V197-M240 HydrophobicContact CG2-CG 3.86Å; V197-I244 HydrophobicContact CG1-CG2 3.73Å; V197-I244 HydrophobicContact CG2-CG2 4.4Å |
| 198 | K | 98.5 | Very high | 98 | Very high | 119 Ų | 119 | 55.9 Ų | 55.9 | 52% | 0.517 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 86.9 | 179.6 | -65.7 | -178.2 | -176.1 | 173.1 | 0 | 110.5 | I153 M200 D201 | I153-K198 HydrophobicContact CD1-CD 3.81Å; K198-M200 PolarHBondContact O-N 3.46Å; K198-D201 PolarHBondContact N-O 2.98Å; K198-D201 WeakPolarHBondContact O-CB 3.43Å; K198-D201 PolarHBondContact O-N 3.15Å |
| 199 | G | 98.4 | Very high | 98 | Very high | 44 Ų | 44 | 50 Ų | 50 | 45% | 0.454 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.8 | -115 | -174.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | R247 | G199-R247 WeakPolarHBondContact O-CD 3.4Å; G199-R247 PolarHBondContact O-NH1 3.15Å |
| 200 | M | 98.5 | Very high | 98 | Very high | 55 Ų | 55 | 49.9 Ų | 49.9 | 27% | 0.271 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | -2.6 | 171.2 | -69.1 | -172.2 | -75.7 | 0 | 0 | 112.6 | F149 G150 K198 I244 R247 A248 | F149-M200 HydrophobicContact CB-CE 4.41Å; F149-M200 HydrophobicContact CB-SD 4.16Å; F149-M200 HydrophobicContact CD1-CE 4.37Å; F149-M200 WeakPolarHBondContact O-CB 3.41Å; F149-M200 WeakPolarHBondContact O-CE 3.25Å; G150-M200 VanDerWaalsContact CA-O 3.27Å; G150-M200 WeakPolarHBondContact CA-O 3.48Å; K198-M200 PolarHBondContact O-N 3.46Å; M200-I244 WeakPolarHBondContact O-CB 3.46Å; M200-I244 WeakPolarHBondContact O-CG2 3.29Å; M200-R247 HydrophobicContact CG-CB 4.19Å; M200-A248 HydrophobicContact SD-CB 4.25Å |
| 201 | D | 98.8 | Very high | 97.9 | Very high | 55 Ų | 55 | 44.9 Ų | 44.9 | 29% | 0.294 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 162.4 | -179.8 | -61.3 | -35.1 | 0 | 0 | 0 | 112.3 | G150 E151 I153 K198 | G150-D201 WeakPolarHBondContact CA-OD1 3.25Å; E151-D201 PolarHBondContact N-OD1 3.21Å; E151-D201 VanDerWaalsContact O-CA 3.31Å; E151-D201 WeakPolarHBondContact O-CA 3.48Å; E151-D201 WeakPolarHBondContact O-CB 3.43Å; I153-D201 HydrophobicContact CG2-CB 4.02Å; K198-D201 PolarHBondContact N-O 2.98Å; K198-D201 WeakPolarHBondContact O-CB 3.43Å; K198-D201 PolarHBondContact O-N 3.15Å |
| 202 | V | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 156.5 | 178 | -76.8 | 0 | 0 | 0 | 0 | 111.9 | T136 E151 T152 I153 V197 F204 M240 I244 | T136-V202 HydrophobicContact CG2-CG2 4Å; E151-V202 PolarHBondContact O-N 2.92Å; E151-V202 VanDerWaalsContact O-N 3.16Å; T152-V202 VanDerWaalsContact CA-O 3.3Å; T152-V202 WeakPolarHBondContact CA-O 3.47Å; I153-V202 WeakPolarHBondContact CG1-O 3.38Å; I153-V202 PolarHBondContact N-O 3.26Å; V197-V202 HydrophobicContact CG2-CG1 4.25Å; V202-F204 HydrophobicContact CB-CE2 3.91Å; V202-F204 HydrophobicContact CB-CZ 3.83Å; V202-F204 HydrophobicContact CG1-CZ 4.42Å; V202-F204 HydrophobicContact CG2-CD2 4.4Å; V202-F204 HydrophobicContact CG2-CE2 3.4Å; V202-F204 VanDerWaalsContact CG2-CE2 3.4Å; V202-F204 HydrophobicContact CG2-CZ 3.59Å; V202-M240 HydrophobicContact CB-CE 4.22Å; V202-M240 HydrophobicContact CG1-CB 4.29Å; V202-M240 HydrophobicContact CG1-CE 4.06Å; V202-I244 HydrophobicContact CG1-CD1 3.74Å; V202-I244 HydrophobicContact CG1-CG1 4.41Å; V202-I244 HydrophobicContact CG1-CG2 3.74Å; V202-I244 HydrophobicContact CG2-CD1 3.99Å |
| 203 | S | 98.7 | Very high | 97.5 | Very high | 19 Ų | 19 | 43.6 Ų | 43.6 | 13% | 0.133 | 25% | 0.246 | C | C | . | . | trans | -137.7 | 128.2 | 174.5 | 173.4 | 0 | 0 | 0 | 0 | 109.4 | D154 T196 | D154-S203 WeakPolarHBondContact OD1-CA 3.33Å; D154-S203 PolarHBondContact OD2-OG 2.94Å; T196-S203 PolarHBondContact O-N 2.86Å; T196-S203 PolarHBondContact OG1-O 3.31Å | ||
| 204 | F | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | trans | -113.8 | -12.7 | -175.2 | -57.8 | -78 | 0 | 0 | 0 | 113.4 | T136 D154 I155 V157 C160 V202 G206 I207 L208 V237 M240 L241 | T136-F204 HydrophobicContact CG2-CE2 3.89Å; T136-F204 HydrophobicContact CG2-CZ 4.24Å; D154-F204 PolarHBondContact OD1-N 2.96Å; D154-F204 PolarHBondContact OD2-N 2.94Å; I155-F204 HydrophobicContact CD1-CB 4.3Å; I155-F204 HydrophobicContact CG1-CB 3.89Å; I155-F204 VanDerWaalsContact O-CD2 3.29Å; I155-F204 WeakPolarHBondContact O-CD2 3.35Å; V157-F204 HydrophobicContact CB-CD2 4.45Å; V157-F204 HydrophobicContact CB-CE1 4.16Å; V157-F204 HydrophobicContact CB-CE2 3.97Å; V157-F204 HydrophobicContact CB-CZ 3.81Å; V157-F204 HydrophobicContact CG2-CD1 4.34Å; V157-F204 HydrophobicContact CG2-CE1 3.92Å; V157-F204 HydrophobicContact CG2-CZ 4.05Å; C160-F204 HydrophobicContact CB-CB 4.05Å; V202-F204 HydrophobicContact CB-CE2 3.91Å; V202-F204 HydrophobicContact CB-CZ 3.83Å; V202-F204 HydrophobicContact CG1-CZ 4.42Å; V202-F204 HydrophobicContact CG2-CD2 4.4Å; V202-F204 HydrophobicContact CG2-CE2 3.4Å; V202-F204 VanDerWaalsContact CG2-CE2 3.4Å; V202-F204 HydrophobicContact CG2-CZ 3.59Å; F204-G206 VanDerWaalsContact C-N 3.35Å; F204-G206 PolarHBondContact O-N 3.16Å; F204-I207 HydrophobicContact CD1-CD1 4.23Å; F204-I207 PolarHBondContact O-N 2.89Å; F204-L208 PolarHBondContact O-N 2.88Å; F204-V237 HydrophobicContact CD1-CB 4.2Å; F204-V237 HydrophobicContact CD1-CG1 3.92Å; F204-V237 HydrophobicContact CE1-CB 3.92Å; F204-V237 HydrophobicContact CE1-CG1 4.15Å; F204-M240 HydrophobicContact CD1-CE 4.24Å; F204-M240 HydrophobicContact CE1-CE 3.93Å; F204-L241 HydrophobicContact CZ-CD2 3.97Å | ||
| 205 | S | 97.6 | Very high | 96.4 | Very high | 43 Ų | 43 | 41.1 Ų | 41.1 | 30% | 0.301 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63 | -40.6 | -176.4 | -56.3 | 0 | 0 | 0 | 0 | 112.6 | D154 I207 L208 S209 | D154-S205 WeakPolarHBondContact CB-OG 3.45Å; D154-S205 WeakPolarHBondContact OD2-CB 3.45Å; D154-S205 PolarHBondContact OD2-N 3.22Å; D154-S205 PolarHBondContact OD2-OG 3.41Å; S205-I207 VanDerWaalsContact C-N 3.34Å; S205-L208 PolarHBondContact O-N 3.41Å; S205-S209 PolarHBondContact O-N 2.82Å; S205-S209 PolarHBondContact O-OG 2.89Å |
| 206 | G | 97.6 | Very high | 95.9 | Very high | 35 Ų | 35 | 42 Ų | 42 | 36% | 0.361 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -66.5 | -35.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | F204 S209 F210 | F204-G206 VanDerWaalsContact C-N 3.35Å; F204-G206 PolarHBondContact O-N 3.16Å; G206-S209 PolarHBondContact O-OG 2.98Å; G206-F210 VanDerWaalsContact O-CB 3.25Å; G206-F210 WeakPolarHBondContact O-CB 3.49Å; G206-F210 PolarHBondContact O-N 3.11Å |
| 207 | I | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.4 | -46.5 | 174.6 | -54.8 | 179.1 | 0 | 0 | 0 | 109.5 | L193 P194 T196 F204 S205 F210 I211 L233 T236 V237 M240 | L193-I207 HydrophobicContact CB-CG2 4.44Å; L193-I207 HydrophobicContact CD1-CG2 4.36Å; P194-I207 HydrophobicContact CB-CG1 4.37Å; P194-I207 WeakPolarHBondContact O-CD1 3.39Å; P194-I207 WeakPolarHBondContact O-CG1 3.36Å; T196-I207 WeakPolarHBondContact OG1-CD1 3.2Å; F204-I207 HydrophobicContact CD1-CD1 4.23Å; F204-I207 PolarHBondContact O-N 2.89Å; S205-I207 VanDerWaalsContact C-N 3.34Å; I207-F210 PolarHBondContact O-N 3.05Å; I207-I211 WeakPolarHBondContact O-CG2 3.33Å; I207-I211 PolarHBondContact O-N 3.35Å; I207-L233 HydrophobicContact CG2-CD1 3.83Å; I207-T236 HydrophobicContact CD1-CG2 4.43Å; I207-V237 HydrophobicContact CD1-CG1 4.24Å; I207-V237 HydrophobicContact CG2-CG1 4.4Å; I207-M240 HydrophobicContact CD1-CE 3.83Å; I207-M240 HydrophobicContact CD1-SD 3.41Å; I207-M240 WeakPolarHBondContact CD1-SD 3.29Å |
| 208 | L | 97.7 | Very high | 94.9 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.3 | -48.1 | -179.9 | -179.3 | 60.4 | 0 | 0 | 0 | 112.2 | I155 R163 F164 F204 S205 F210 I211 E212 | I155-L208 HydrophobicContact CD1-CD2 3.86Å; R163-L208 HydrophobicContact CB-CD1 4Å; R163-L208 HydrophobicContact CB-CD2 3.61Å; R163-L208 HydrophobicContact CB-CG 4.45Å; R163-L208 HydrophobicContact CG-CD2 4.15Å; R163-L208 VanDerWaalsContact NE-CD2 3.33Å; F164-L208 HydrophobicContact CB-CD1 4.07Å; F204-L208 PolarHBondContact O-N 2.88Å; S205-L208 PolarHBondContact O-N 3.41Å; L208-F210 VanDerWaalsContact C-N 3.3Å; L208-F210 PolarHBondContact O-N 2.86Å; L208-I211 HydrophobicContact CD1-CG2 4.37Å; L208-I211 WeakPolarHBondContact O-CG2 3.3Å; L208-I211 PolarHBondContact O-N 3.47Å; L208-E212 HydrophobicContact CD1-CG 4.18Å; L208-E212 HydrophobicContact CG-CG 4.46Å; L208-E212 WeakPolarHBondContact O-CB 3.49Å; L208-E212 VanDerWaalsContact O-CG 3.23Å; L208-E212 WeakPolarHBondContact O-CG 3.33Å; L208-E212 PolarHBondContact O-N 3.16Å |
| 209 | S | 96.8 | Very high | 94.4 | Very high | 58 Ų | 58 | 43.1 Ų | 43.1 | 41% | 0.406 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -62.1 | -40.2 | 177.3 | 54 | 0 | 0 | 0 | 0 | 111.7 | S205 G206 E212 D213 | S205-S209 PolarHBondContact O-N 2.82Å; S205-S209 PolarHBondContact O-OG 2.89Å; G206-S209 PolarHBondContact O-OG 2.98Å; S209-E212 PolarHBondContact O-N 3.23Å; S209-D213 PolarHBondContact O-N 3.46Å; S209-D213 VanDerWaalsContact O-N 3.12Å |
| 210 | F | 96.8 | Very high | 94 | Very high | 87 Ų | 87 | 45.1 Ų | 45.1 | 38% | 0.382 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -64.5 | -47.6 | 178.6 | -175.3 | -88.3 | 0 | 0 | 0 | 111.4 | E192 L193 P194 G206 I207 L208 E212 D213 V214 | E192-F210 WeakPolarHBondContact O-CE1 3.34Å; L193-F210 HydrophobicContact CD2-CD1 3.68Å; L193-F210 HydrophobicContact CD2-CE1 3.9Å; P194-F210 HydrophobicContact CG-CB 4.02Å; P194-F210 HydrophobicContact CG-CD1 4.31Å; P194-F210 HydrophobicContact CG-CD2 4.17Å; P194-F210 HydrophobicContact CG-CG 3.92Å; G206-F210 VanDerWaalsContact O-CB 3.25Å; G206-F210 WeakPolarHBondContact O-CB 3.49Å; G206-F210 PolarHBondContact O-N 3.11Å; I207-F210 PolarHBondContact O-N 3.05Å; L208-F210 VanDerWaalsContact C-N 3.3Å; L208-F210 PolarHBondContact O-N 2.86Å; F210-E212 VanDerWaalsContact C-N 3.31Å; F210-E212 PolarHBondContact O-N 3.26Å; F210-D213 PolarHBondContact O-N 3.34Å; F210-V214 HydrophobicContact CD1-CG2 3.76Å; F210-V214 HydrophobicContact CE1-CG2 3.48Å; F210-V214 VanDerWaalsContact CE1-CG2 3.48Å; F210-V214 HydrophobicContact CG-CG2 4.42Å; F210-V214 HydrophobicContact CZ-CG2 3.89Å; F210-V214 WeakPolarHBondContact O-CB 3.37Å; F210-V214 VanDerWaalsContact O-CG2 3.24Å; F210-V214 WeakPolarHBondContact O-CG2 3.48Å; F210-V214 PolarHBondContact O-N 3.36Å |
| 211 | I | 94.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -70.2 | -28.6 | -179.8 | -156.8 | 176.1 | 0 | 0 | 0 | 112.1 | F164 L193 I207 L208 A215 L229 L233 | F164-I211 HydrophobicContact CD1-CD1 4.46Å; F164-I211 HydrophobicContact CD2-CB 4.48Å; F164-I211 HydrophobicContact CD2-CD1 4.2Å; F164-I211 HydrophobicContact CD2-CG1 4.25Å; F164-I211 HydrophobicContact CD2-CG2 3.55Å; F164-I211 HydrophobicContact CE1-CD1 4.01Å; F164-I211 HydrophobicContact CE2-CB 4.28Å; F164-I211 HydrophobicContact CE2-CD1 3.73Å; F164-I211 HydrophobicContact CE2-CG1 3.65Å; F164-I211 HydrophobicContact CE2-CG2 3.82Å; F164-I211 HydrophobicContact CG-CG2 4.27Å; F164-I211 HydrophobicContact CZ-CD1 3.63Å; F164-I211 HydrophobicContact CZ-CG1 3.95Å; L193-I211 HydrophobicContact CD1-CD1 3.83Å; L193-I211 HydrophobicContact CD1-CG1 4.47Å; L193-I211 HydrophobicContact CD2-CB 4.06Å; L193-I211 HydrophobicContact CD2-CD1 4.23Å; L193-I211 HydrophobicContact CD2-CG1 4Å; I207-I211 WeakPolarHBondContact O-CG2 3.33Å; I207-I211 PolarHBondContact O-N 3.35Å; L208-I211 HydrophobicContact CD1-CG2 4.37Å; L208-I211 WeakPolarHBondContact O-CG2 3.3Å; L208-I211 PolarHBondContact O-N 3.47Å; I211-A215 WeakPolarHBondContact O-CB 3.14Å; I211-A215 PolarHBondContact O-N 3.38Å; I211-L229 HydrophobicContact CD1-CB 4.33Å; I211-L229 HydrophobicContact CG1-CD2 4.42Å; I211-L233 HydrophobicContact CD1-CB 3.72Å; I211-L233 HydrophobicContact CD1-CD1 4.07Å; I211-L233 HydrophobicContact CD1-CD2 4.29Å; I211-L233 HydrophobicContact CD1-CG 4.24Å |
| 212 | E | 93.1 | Very high | 93.2 | Very high | 43 Ų | 43 | 46.8 Ų | 46.8 | 20% | 0.201 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.3 | -48.3 | 170.9 | -80.5 | 175.3 | 178.8 | 0 | 0 | 111.3 | R163 V167 L208 S209 F210 H216 | R163-E212 IonicContact NH2-OE1 3.56Å; V167-E212 HydrophobicContact CB-CG 4.48Å; V167-E212 HydrophobicContact CG1-CG 4.32Å; V167-E212 HydrophobicContact CG2-CG 3.62Å; L208-E212 HydrophobicContact CD1-CG 4.18Å; L208-E212 HydrophobicContact CG-CG 4.46Å; L208-E212 WeakPolarHBondContact O-CB 3.49Å; L208-E212 VanDerWaalsContact O-CG 3.23Å; L208-E212 WeakPolarHBondContact O-CG 3.33Å; L208-E212 PolarHBondContact O-N 3.16Å; S209-E212 PolarHBondContact O-N 3.23Å; F210-E212 VanDerWaalsContact C-N 3.31Å; F210-E212 PolarHBondContact O-N 3.26Å; E212-H216 PolarHBondContact O-N 3.09Å; E212-H216 PolarHBondContact O-ND1 3.44Å; E212-H216 VanDerWaalsContact O-ND1 3.12Å |
| 213 | D | 92.3 | Very high | 92.8 | Very high | 117 Ų | 117 | 51.5 Ų | 51.5 | 63% | 0.626 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -66.3 | -44.8 | 177.3 | -72.6 | -19 | 0 | 0 | 0 | 111.8 | S209 F210 A215 H216 R217 | S209-D213 PolarHBondContact O-N 3.46Å; S209-D213 VanDerWaalsContact O-N 3.12Å; F210-D213 PolarHBondContact O-N 3.34Å; D213-A215 PolarHBondContact O-N 3.07Å; D213-H216 PolarHBondContact O-N 3.45Å; D213-R217 PolarHBondContact O-N 2.94Å |
| 214 | V | 87.6 | Confident | 92.6 | Very high | 9 Ų | 9 | 51.1 Ų | 51.1 | 6% | 0.055 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64 | -40.3 | 178.9 | 169.7 | 0 | 0 | 0 | 0 | 111.4 | V191 F210 R217 M218 L229 | V191-V214 HydrophobicContact CG1-CG1 4.16Å; F210-V214 HydrophobicContact CD1-CG2 3.76Å; F210-V214 HydrophobicContact CE1-CG2 3.48Å; F210-V214 VanDerWaalsContact CE1-CG2 3.48Å; F210-V214 HydrophobicContact CG-CG2 4.42Å; F210-V214 HydrophobicContact CZ-CG2 3.89Å; F210-V214 WeakPolarHBondContact O-CB 3.37Å; F210-V214 VanDerWaalsContact O-CG2 3.24Å; F210-V214 WeakPolarHBondContact O-CG2 3.48Å; F210-V214 PolarHBondContact O-N 3.36Å; V214-R217 PolarHBondContact O-N 3.41Å; V214-M218 HydrophobicContact CG1-CG 3.87Å; V214-M218 HydrophobicContact CG1-SD 3.29Å; V214-M218 WeakPolarHBondContact CG1-SD 3.46Å; V214-M218 WeakPolarHBondContact O-CB 3.1Å; V214-M218 WeakPolarHBondContact O-CG 3.41Å; V214-M218 PolarHBondContact O-N 2.98Å; V214-L229 HydrophobicContact CG1-CD2 4.26Å |
| 215 | A | 85.8 | Confident | 92.5 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.7 | -49.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.1 | F164 L168 I211 D213 R217 L219 L229 | F164-A215 HydrophobicContact CE2-CB 4.18Å; L168-A215 HydrophobicContact CD2-CB 4.19Å; I211-A215 WeakPolarHBondContact O-CB 3.14Å; I211-A215 PolarHBondContact O-N 3.38Å; D213-A215 PolarHBondContact O-N 3.07Å; A215-R217 VanDerWaalsContact C-N 3.33Å; A215-R217 PolarHBondContact O-N 2.98Å; A215-L219 HydrophobicContact CB-CD1 4.18Å; A215-L219 WeakPolarHBondContact O-CB 3.25Å; A215-L219 VanDerWaalsContact O-CD1 3.31Å; A215-L219 WeakPolarHBondContact O-CD1 3.39Å; A215-L219 WeakPolarHBondContact O-CG 3.33Å; A215-L219 PolarHBondContact O-N 2.77Å; A215-L229 HydrophobicContact CB-CD1 3.76Å |
| 216 | H | 87.9 | Confident | 92.5 | Very high | 131 Ų | 131 | 53.9 Ų | 53.9 | 61% | 0.606 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -59.7 | -43.5 | 179 | -68.6 | 135.2 | 0 | 0 | 0 | 112.5 | E212 D213 A220 | E212-H216 PolarHBondContact O-N 3.09Å; E212-H216 PolarHBondContact O-ND1 3.44Å; E212-H216 VanDerWaalsContact O-ND1 3.12Å; D213-H216 PolarHBondContact O-N 3.45Å; H216-A220 VanDerWaalsContact O-CB 3.27Å; H216-A220 WeakPolarHBondContact O-CB 3.15Å; H216-A220 PolarHBondContact O-N 3.48Å |
| 217 | R | 90.1 | Very high | 92.5 | Very high | 138 Ų | 138 | 54.4 Ų | 54.4 | 52% | 0.521 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -70.8 | -56.1 | -179.3 | -178 | -162 | 61.8 | 170.3 | -2.6 | 112.1 | D213 V214 A215 L219 A220 T221 | D213-R217 PolarHBondContact O-N 2.94Å; V214-R217 PolarHBondContact O-N 3.41Å; A215-R217 VanDerWaalsContact C-N 3.33Å; A215-R217 PolarHBondContact O-N 2.98Å; R217-L219 PolarHBondContact O-N 3.46Å; R217-A220 PolarHBondContact O-N 3.47Å; R217-T221 PolarHBondContact O-N 3.11Å; R217-T221 PolarHBondContact O-OG1 3.01Å |
| 218 | M | 86.3 | Confident | 92.5 | Very high | 8 Ų | 8 | 55 Ų | 55 | 4% | 0.039 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -72.9 | -29.5 | -170.2 | -66 | -174.2 | 74.4 | 0 | 0 | 112.9 | V191 V214 T221 G222 E223 C224 | V191-M218 HydrophobicContact CG1-SD 4.12Å; V191-M218 HydrophobicContact CG2-CE 4.28Å; V191-M218 HydrophobicContact CG2-SD 4.47Å; V214-M218 HydrophobicContact CG1-CG 3.87Å; V214-M218 HydrophobicContact CG1-SD 3.29Å; V214-M218 WeakPolarHBondContact CG1-SD 3.46Å; V214-M218 WeakPolarHBondContact O-CB 3.1Å; V214-M218 WeakPolarHBondContact O-CG 3.41Å; V214-M218 PolarHBondContact O-N 2.98Å; M218-T221 PolarHBondContact O-OG1 3.48Å; M218-G222 WeakPolarHBondContact O-CA 3.44Å; M218-G222 PolarHBondContact O-N 3.48Å; M218-E223 HydrophobicContact CB-CB 4.24Å; M218-E223 HydrophobicContact CE-CB 3.63Å; M218-E223 HydrophobicContact CG-CB 4.37Å; M218-E223 PolarHBondContact O-N 2.97Å; M218-C224 WeakPolarHBondContact CB-SG 3.34Å; M218-C224 HydrophobicContact CE-CB 3.93Å |
| 219 | L | 87.3 | Confident | 92.5 | Very high | 62 Ų | 62 | 55 Ų | 55 | 33% | 0.325 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -71.7 | -34.2 | 172.6 | -63 | 171.3 | 0 | 0 | 0 | 111.4 | L168 A215 R217 P226 L229 | L168-L219 HydrophobicContact CD2-CD1 3.57Å; A215-L219 HydrophobicContact CB-CD1 4.18Å; A215-L219 WeakPolarHBondContact O-CB 3.25Å; A215-L219 VanDerWaalsContact O-CD1 3.31Å; A215-L219 WeakPolarHBondContact O-CD1 3.39Å; A215-L219 WeakPolarHBondContact O-CG 3.33Å; A215-L219 PolarHBondContact O-N 2.77Å; R217-L219 PolarHBondContact O-N 3.46Å; L219-P226 HydrophobicContact CD2-CG 3.79Å; L219-L229 HydrophobicContact CD1-CD1 4.38Å; L219-L229 HydrophobicContact CD2-CD1 4.38Å; L219-L229 HydrophobicContact CG-CD1 4.29Å |
| 220 | A | 89.9 | Confident | 92.6 | Very high | 87 Ų | 87 | 52.2 Ų | 52.2 | 72% | 0.719 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -70.5 | -33.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | H216 R217 | H216-A220 VanDerWaalsContact O-CB 3.27Å; H216-A220 WeakPolarHBondContact O-CB 3.15Å; H216-A220 PolarHBondContact O-N 3.48Å; R217-A220 PolarHBondContact O-N 3.47Å |
| 221 | T | 91.5 | Very high | 92.7 | Very high | 83 Ų | 83 | 50.4 Ų | 50.4 | 51% | 0.509 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -89.1 | -12.4 | 177.4 | 61.2 | 0 | 0 | 0 | 0 | 114 | R217 M218 E223 | R217-T221 PolarHBondContact O-N 3.11Å; R217-T221 PolarHBondContact O-OG1 3.01Å; M218-T221 PolarHBondContact O-OG1 3.48Å; T221-E223 VanDerWaalsContact C-N 3.34Å; T221-E223 VanDerWaalsContact OG1-CD 3.23Å; T221-E223 WeakPolarHBondContact OG1-CG 3.29Å; T221-E223 PolarHBondContact OG1-OE1 3.5Å |
| 222 | G | 89.4 | Confident | 92.9 | Very high | 62 Ų | 62 | 50.4 Ų | 50.4 | 64% | 0.639 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.7 | 19 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | M218 C224 | M218-G222 WeakPolarHBondContact O-CA 3.44Å; M218-G222 PolarHBondContact O-N 3.48Å; G222-C224 VanDerWaalsContact C-N 3.31Å; G222-C224 PolarHBondContact O-N 3.36Å |
| 223 | E | 91.8 | Very high | 93.1 | Very high | 99 Ų | 99 | 48.4 Ų | 48.4 | 46% | 0.463 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -75.9 | -16 | -178.6 | -75.7 | 169.4 | -139.4 | 0 | 0 | 114.3 | K189 M218 T221 | K189-E223 PolarHBondContact NZ-O 3.47Å; M218-E223 HydrophobicContact CB-CB 4.24Å; M218-E223 HydrophobicContact CE-CB 3.63Å; M218-E223 HydrophobicContact CG-CB 4.37Å; M218-E223 PolarHBondContact O-N 2.97Å; T221-E223 VanDerWaalsContact C-N 3.34Å; T221-E223 VanDerWaalsContact OG1-CD 3.23Å; T221-E223 WeakPolarHBondContact OG1-CG 3.29Å; T221-E223 PolarHBondContact OG1-OE1 3.5Å |
| 224 | C | 93.9 | Very high | 93.4 | Very high | 11 Ų | 11 | 43 Ų | 43 | 7% | 0.074 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -154.1 | 168.4 | 172.2 | 69.3 | 0 | 0 | 0 | 0 | 110.9 | V191 M218 G222 D228 | V191-C224 HydrophobicContact CG2-CB 4.34Å; M218-C224 WeakPolarHBondContact CB-SG 3.34Å; M218-C224 HydrophobicContact CE-CB 3.93Å; G222-C224 VanDerWaalsContact C-N 3.31Å; G222-C224 PolarHBondContact O-N 3.36Å; C224-D228 HydrophobicContact CB-CB 4.08Å |
| 225 | T | 96.4 | Very high | 94 | Very high | 58 Ų | 58 | 44.3 Ų | 44.3 | 36% | 0.356 | 25% | 0.249 | S | C | . | . | trans | -100.3 | 161.1 | 174.5 | 62.2 | 0 | 0 | 0 | 0 | 111.6 | E227 D228 L229 | T225-E227 PolarHBondContact O-N 3.03Å; T225-D228 WeakPolarHBondContact CB-OD2 3.26Å; T225-D228 PolarHBondContact N-OD2 3.06Å; T225-D228 WeakPolarHBondContact O-CB 3.48Å; T225-D228 PolarHBondContact O-N 2.95Å; T225-D228 VanDerWaalsContact O-N 3.13Å; T225-D228 PolarHBondContact OG1-N 3.45Å; T225-D228 VanDerWaalsContact OG1-N 3.1Å; T225-D228 PolarHBondContact OG1-OD2 3.11Å; T225-L229 PolarHBondContact O-N 2.88Å | ||
| 226 | P | 96.9 | Very high | 94.6 | Very high | 43 Ų | 43 | 45.1 Ų | 45.1 | 28% | 0.279 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -54 | -37.4 | 168.3 | -27.3 | 37.2 | 0 | 0 | 0 | 112.6 | L168 M183 L219 L229 C230 | L168-P226 HydrophobicContact CD1-CB 4.23Å; M183-P226 HydrophobicContact CE-CB 3.55Å; L219-P226 HydrophobicContact CD2-CG 3.79Å; P226-L229 PolarHBondContact O-N 2.7Å; P226-C230 PolarHBondContact O-N 3.33Å; P226-C230 PolarHBondContact O-SG 3.14Å |
| 227 | E | 98.3 | Very high | 95.1 | Very high | 45 Ų | 45 | 38.9 Ų | 38.9 | 21% | 0.21 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.3 | -44.4 | 174.1 | -72.9 | 70.7 | -166.5 | 0 | 0 | 112.7 | M183 R186 T225 L229 C230 F231 | M183-E227 HydrophobicContact CB-CG 4.37Å; M183-E227 WeakPolarHBondContact O-CB 3.34Å; M183-E227 WeakPolarHBondContact O-CG 3.28Å; R186-E227 HydrophobicContact CB-CB 4.21Å; R186-E227 HydrophobicContact CB-CG 3.72Å; R186-E227 IonicContact CZ-OE1 3.66Å; R186-E227 IonicContact NE-OE1 3.56Å; R186-E227 IonicContact NH2-OE1 2.86Å; R186-E227 PolarHBondContact NH2-OE1 2.79Å; T225-E227 PolarHBondContact O-N 3.03Å; E227-L229 VanDerWaalsContact C-N 3.32Å; E227-L229 PolarHBondContact O-N 3.36Å; E227-C230 PolarHBondContact O-N 3.39Å; E227-F231 WeakPolarHBondContact O-CB 3.2Å; E227-F231 PolarHBondContact O-N 3.26Å |
| 228 | D | 98.3 | Very high | 95.5 | Very high | 13 Ų | 13 | 32.3 Ų | 32.3 | 7% | 0.07 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63 | -38.6 | 177.3 | -65.2 | -44.9 | 0 | 0 | 0 | 112 | K188 K189 C224 T225 F231 S232 | K188-D228 PolarHBondContact N-OD1 3.33Å; K189-D228 HydrophobicContact CB-CB 4.23Å; K189-D228 PolarHBondContact N-OD1 3.11Å; C224-D228 HydrophobicContact CB-CB 4.08Å; T225-D228 WeakPolarHBondContact CB-OD2 3.26Å; T225-D228 PolarHBondContact N-OD2 3.06Å; T225-D228 WeakPolarHBondContact O-CB 3.48Å; T225-D228 PolarHBondContact O-N 2.95Å; T225-D228 VanDerWaalsContact O-N 3.13Å; T225-D228 PolarHBondContact OG1-N 3.45Å; T225-D228 VanDerWaalsContact OG1-N 3.1Å; T225-D228 PolarHBondContact OG1-OD2 3.11Å; D228-F231 PolarHBondContact O-N 3.23Å; D228-S232 VanDerWaalsContact O-CB 3.32Å; D228-S232 WeakPolarHBondContact O-CB 3.25Å; D228-S232 PolarHBondContact O-N 3.06Å; D228-S232 PolarHBondContact O-OG 3.22Å |
| 229 | L | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -71.5 | -38.4 | 177.3 | -62.7 | 174.4 | 0 | 0 | 0 | 111.9 | F164 V191 I211 V214 A215 L219 T225 P226 E227 F231 S232 L233 | F164-L229 HydrophobicContact CE1-CB 4.12Å; F164-L229 HydrophobicContact CZ-CB 3.63Å; F164-L229 HydrophobicContact CZ-CD1 4.22Å; V191-L229 HydrophobicContact CB-CD2 4.42Å; V191-L229 HydrophobicContact CG2-CD2 4.07Å; I211-L229 HydrophobicContact CD1-CB 4.33Å; I211-L229 HydrophobicContact CG1-CD2 4.42Å; V214-L229 HydrophobicContact CG1-CD2 4.26Å; A215-L229 HydrophobicContact CB-CD1 3.76Å; L219-L229 HydrophobicContact CD1-CD1 4.38Å; L219-L229 HydrophobicContact CD2-CD1 4.38Å; L219-L229 HydrophobicContact CG-CD1 4.29Å; T225-L229 PolarHBondContact O-N 2.88Å; P226-L229 PolarHBondContact O-N 2.7Å; E227-L229 VanDerWaalsContact C-N 3.32Å; E227-L229 PolarHBondContact O-N 3.36Å; L229-F231 VanDerWaalsContact C-N 3.33Å; L229-S232 PolarHBondContact O-N 2.78Å; L229-L233 VanDerWaalsContact O-CB 3.28Å; L229-L233 WeakPolarHBondContact O-CB 3.17Å; L229-L233 PolarHBondContact O-N 2.97Å |
| 230 | C | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.5 | -44.9 | 172.8 | -66.6 | 0 | 0 | 0 | 0 | 111.1 | I180 M183 A184 P226 E227 Q234 | I180-C230 HydrophobicContact CG2-CB 4.09Å; M183-C230 HydrophobicContact CB-CB 3.97Å; A184-C230 HydrophobicContact CB-CB 4.11Å; P226-C230 PolarHBondContact O-N 3.33Å; P226-C230 PolarHBondContact O-SG 3.14Å; E227-C230 PolarHBondContact O-N 3.39Å; C230-Q234 WeakPolarHBondContact O-CG 3.33Å; C230-Q234 PolarHBondContact O-N 3.17Å; C230-Q234 VanDerWaalsContact O-N 3.12Å |
| 231 | F | 98.7 | Very high | 97.1 | Very high | 50 Ų | 50 | 26.3 Ų | 26.3 | 22% | 0.219 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58.6 | -54.3 | 173.8 | 166.4 | -112.6 | 0 | 0 | 0 | 111.4 | A184 L190 E227 D228 L229 L233 Q234 E235 | A184-F231 HydrophobicContact CB-CB 4.33Å; L190-F231 HydrophobicContact CB-CE1 3.97Å; L190-F231 HydrophobicContact CD1-CE1 4.08Å; E227-F231 WeakPolarHBondContact O-CB 3.2Å; E227-F231 PolarHBondContact O-N 3.26Å; D228-F231 PolarHBondContact O-N 3.23Å; L229-F231 VanDerWaalsContact C-N 3.33Å; F231-L233 VanDerWaalsContact C-N 3.32Å; F231-L233 PolarHBondContact O-N 3.33Å; F231-Q234 PolarHBondContact O-N 3.04Å; F231-Q234 VanDerWaalsContact O-N 3.15Å; F231-E235 HydrophobicContact CD2-CG 3.84Å; F231-E235 HydrophobicContact CE1-CG 4.45Å; F231-E235 HydrophobicContact CE2-CG 3.39Å; F231-E235 HydrophobicContact CZ-CG 3.74Å; F231-E235 WeakPolarHBondContact O-CG 3.39Å; F231-E235 PolarHBondContact O-N 3.13Å |
| 232 | S | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.6 | -39.9 | -176.6 | -55.1 | 0 | 0 | 0 | 0 | 112.7 | K189 V191 D228 L229 T236 | K189-S232 PolarHBondContact O-OG 3.38Å; V191-S232 PolarHBondContact N-OG 3.21Å; V191-S232 WeakPolarHBondContact O-CB 3.11Å; D228-S232 VanDerWaalsContact O-CB 3.32Å; D228-S232 WeakPolarHBondContact O-CB 3.25Å; D228-S232 PolarHBondContact O-N 3.06Å; D228-S232 PolarHBondContact O-OG 3.22Å; L229-S232 PolarHBondContact O-N 2.78Å; S232-T236 WeakPolarHBondContact O-CB 3.37Å; S232-T236 PolarHBondContact O-N 3.04Å; S232-T236 VanDerWaalsContact O-N 3.1Å; S232-T236 PolarHBondContact O-OG1 3.47Å |
| 233 | L | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.7 | -47.6 | 175.8 | -175.2 | 61.1 | 0 | 0 | 0 | 111.1 | L161 F164 L193 I207 I211 L229 F231 T236 V237 | L161-L233 HydrophobicContact CD2-CD2 3.93Å; L161-L233 HydrophobicContact CD2-CG 4.22Å; F164-L233 HydrophobicContact CB-CD2 3.77Å; F164-L233 HydrophobicContact CD1-CD2 3.42Å; F164-L233 VanDerWaalsContact CD1-CD2 3.42Å; F164-L233 HydrophobicContact CE1-CD2 4.2Å; F164-L233 HydrophobicContact CG-CD2 3.69Å; L193-L233 HydrophobicContact CD1-CB 4.32Å; L193-L233 HydrophobicContact CD1-CD1 4.19Å; I207-L233 HydrophobicContact CG2-CD1 3.83Å; I211-L233 HydrophobicContact CD1-CB 3.72Å; I211-L233 HydrophobicContact CD1-CD1 4.07Å; I211-L233 HydrophobicContact CD1-CD2 4.29Å; I211-L233 HydrophobicContact CD1-CG 4.24Å; L229-L233 VanDerWaalsContact O-CB 3.28Å; L229-L233 WeakPolarHBondContact O-CB 3.17Å; L229-L233 PolarHBondContact O-N 2.97Å; F231-L233 VanDerWaalsContact C-N 3.32Å; F231-L233 PolarHBondContact O-N 3.33Å; L233-T236 PolarHBondContact O-N 2.85Å; L233-V237 HydrophobicContact CD1-CG1 3.84Å; L233-V237 HydrophobicContact CG-CG1 4.47Å; L233-V237 WeakPolarHBondContact O-CG1 3.41Å; L233-V237 VanDerWaalsContact O-CG2 3.27Å; L233-V237 WeakPolarHBondContact O-CG2 3.12Å; L233-V237 PolarHBondContact O-N 3.19Å |
| 234 | Q | 98.8 | Very high | 98.3 | Very high | 5 Ų | 5 | 17.7 Ų | 17.7 | 2% | 0.023 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -60.5 | -51.5 | 178.7 | -78.1 | -165.1 | -6.2 | 0 | 0 | 111.9 | I180 A184 C230 F231 T236 V237 F238 N266 | I180-Q234 HydrophobicContact CG2-CG 4.25Å; A184-Q234 HydrophobicContact CB-CG 4.42Å; C230-Q234 WeakPolarHBondContact O-CG 3.33Å; C230-Q234 PolarHBondContact O-N 3.17Å; C230-Q234 VanDerWaalsContact O-N 3.12Å; F231-Q234 PolarHBondContact O-N 3.04Å; F231-Q234 VanDerWaalsContact O-N 3.15Å; Q234-T236 VanDerWaalsContact C-N 3.26Å; Q234-T236 PolarHBondContact O-N 3.07Å; Q234-V237 PolarHBondContact O-N 2.98Å; Q234-F238 HydrophobicContact CB-CD2 3.86Å; Q234-F238 HydrophobicContact CB-CE2 3.57Å; Q234-F238 HydrophobicContact CB-CZ 4.2Å; Q234-F238 HydrophobicContact CG-CD2 4.33Å; Q234-F238 HydrophobicContact CG-CE2 3.55Å; Q234-F238 HydrophobicContact CG-CZ 3.77Å; Q234-F238 WeakPolarHBondContact O-CB 3.33Å; Q234-F238 VanDerWaalsContact O-CD2 3.3Å; Q234-F238 WeakPolarHBondContact O-CD2 3.47Å; Q234-F238 WeakPolarHBondContact O-CG 3.44Å; Q234-F238 PolarHBondContact O-N 3.45Å; Q234-N266 PolarHBondContact NE2-ND2 3.09Å |
| 235 | E | 98.8 | Very high | 98.5 | Very high | 36 Ų | 36 | 17.2 Ų | 17.2 | 17% | 0.168 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -56 | -43.4 | 179.4 | -66.2 | -54.9 | 124.8 | 0 | 0 | 111.6 | L190 F231 A239 R268 | L190-E235 HydrophobicContact CD1-CB 4.29Å; F231-E235 HydrophobicContact CD2-CG 3.84Å; F231-E235 HydrophobicContact CE1-CG 4.45Å; F231-E235 HydrophobicContact CE2-CG 3.39Å; F231-E235 HydrophobicContact CZ-CG 3.74Å; F231-E235 WeakPolarHBondContact O-CG 3.39Å; F231-E235 PolarHBondContact O-N 3.13Å; E235-A239 WeakPolarHBondContact O-CB 3.48Å; E235-A239 PolarHBondContact O-N 3.32Å; E235-A239 VanDerWaalsContact O-N 3.11Å; E235-R268 VanDerWaalsContact CD-NH2 3.33Å; E235-R268 IonicContact OE1-CZ 3.31Å; E235-R268 IonicContact OE1-NE 3.58Å; E235-R268 PolarHBondContact OE1-NE 3.46Å; E235-R268 IonicContact OE1-NH2 3.77Å; E235-R268 PolarHBondContact OE1-NH2 2.88Å; E235-R268 VanDerWaalsContact OE1-NH2 3.15Å; E235-R268 IonicContact OE2-CZ 3.5Å; E235-R268 IonicContact OE2-NE 2.82Å; E235-R268 IonicContact OE2-NH2 3.51Å; E235-R268 PolarHBondContact OE2-NH2 2.98Å |
| 236 | T | 98.9 | Very high | 98.6 | Very high | 16 Ų | 16 | 17.8 Ų | 17.8 | 10% | 0.098 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -66.8 | -56.8 | -179.1 | -53.9 | 0 | 0 | 0 | 0 | 111.4 | L193 P194 Y195 I207 S232 L233 Q234 F238 A239 M240 | L193-T236 HydrophobicContact CB-CG2 4.02Å; P194-T236 WeakPolarHBondContact O-CG2 3.34Å; Y195-T236 HydrophobicContact CD2-CG2 4.4Å; I207-T236 HydrophobicContact CD1-CG2 4.43Å; S232-T236 WeakPolarHBondContact O-CB 3.37Å; S232-T236 PolarHBondContact O-N 3.04Å; S232-T236 VanDerWaalsContact O-N 3.1Å; S232-T236 PolarHBondContact O-OG1 3.47Å; L233-T236 PolarHBondContact O-N 2.85Å; Q234-T236 VanDerWaalsContact C-N 3.26Å; Q234-T236 PolarHBondContact O-N 3.07Å; T236-F238 PolarHBondContact O-N 2.97Å; T236-A239 PolarHBondContact O-N 3.02Å; T236-M240 HydrophobicContact CG2-SD 4.29Å; T236-M240 VanDerWaalsContact O-CG 3.29Å; T236-M240 WeakPolarHBondContact O-CG 3.43Å; T236-M240 PolarHBondContact O-N 3.06Å |
| 237 | V | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 20.9 Ų | 20.9 | 1% | 0.006 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -71.7 | -32.5 | -172.5 | -56.5 | 0 | 0 | 0 | 0 | 111.9 | V157 F204 I207 L233 Q234 M240 L241 | V157-V237 HydrophobicContact CG2-CB 3.91Å; V157-V237 HydrophobicContact CG2-CG2 3.74Å; F204-V237 HydrophobicContact CD1-CB 4.2Å; F204-V237 HydrophobicContact CD1-CG1 3.92Å; F204-V237 HydrophobicContact CE1-CB 3.92Å; F204-V237 HydrophobicContact CE1-CG1 4.15Å; I207-V237 HydrophobicContact CD1-CG1 4.24Å; I207-V237 HydrophobicContact CG2-CG1 4.4Å; L233-V237 HydrophobicContact CD1-CG1 3.84Å; L233-V237 HydrophobicContact CG-CG1 4.47Å; L233-V237 WeakPolarHBondContact O-CG1 3.41Å; L233-V237 VanDerWaalsContact O-CG2 3.27Å; L233-V237 WeakPolarHBondContact O-CG2 3.12Å; L233-V237 PolarHBondContact O-N 3.19Å; Q234-V237 PolarHBondContact O-N 2.98Å; V237-M240 PolarHBondContact O-N 2.78Å; V237-L241 VanDerWaalsContact O-CG 3.3Å; V237-L241 WeakPolarHBondContact O-CG 3.15Å; V237-L241 PolarHBondContact O-N 3.43Å; V237-L241 VanDerWaalsContact O-N 3.16Å |
| 238 | F | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -73.7 | -38.1 | 177.6 | -61.4 | -18.6 | 0 | 0 | 0 | 112 | L161 Q234 T236 M240 L241 V242 V263 N266 R268 L269 M272 | L161-F238 HydrophobicContact CD1-CE1 4.35Å; Q234-F238 HydrophobicContact CB-CD2 3.86Å; Q234-F238 HydrophobicContact CB-CE2 3.57Å; Q234-F238 HydrophobicContact CB-CZ 4.2Å; Q234-F238 HydrophobicContact CG-CD2 4.33Å; Q234-F238 HydrophobicContact CG-CE2 3.55Å; Q234-F238 HydrophobicContact CG-CZ 3.77Å; Q234-F238 WeakPolarHBondContact O-CB 3.33Å; Q234-F238 VanDerWaalsContact O-CD2 3.3Å; Q234-F238 WeakPolarHBondContact O-CD2 3.47Å; Q234-F238 WeakPolarHBondContact O-CG 3.44Å; Q234-F238 PolarHBondContact O-N 3.45Å; T236-F238 PolarHBondContact O-N 2.97Å; F238-M240 VanDerWaalsContact C-N 3.28Å; F238-M240 PolarHBondContact O-N 3.32Å; F238-L241 HydrophobicContact CD1-CD1 4.12Å; F238-L241 PolarHBondContact O-N 3.4Å; F238-L241 VanDerWaalsContact O-N 3.14Å; F238-V242 WeakPolarHBondContact O-CG2 3.4Å; F238-V242 PolarHBondContact O-N 2.93Å; F238-V263 HydrophobicContact CE1-CG1 4.06Å; F238-N266 VanDerWaalsContact CE2-OD1 3.28Å; F238-N266 WeakPolarHBondContact CE2-OD1 3.24Å; F238-N266 HydrophobicContact CZ-CB 4.29Å; F238-R268 HydrophobicContact CD2-CG 4.23Å; F238-R268 HydrophobicContact CE2-CB 4.32Å; F238-R268 HydrophobicContact CE2-CG 4.41Å; F238-L269 HydrophobicContact CB-CD1 3.89Å; F238-L269 HydrophobicContact CD1-CB 4.15Å; F238-L269 HydrophobicContact CD1-CD1 4.02Å; F238-L269 HydrophobicContact CD1-CD2 4.47Å; F238-L269 HydrophobicContact CD1-CG 4.44Å; F238-L269 HydrophobicContact CD2-CB 3.94Å; F238-L269 HydrophobicContact CE1-CB 4.26Å; F238-L269 HydrophobicContact CE2-CB 4.04Å; F238-L269 HydrophobicContact CG-CB 4Å; F238-L269 HydrophobicContact CG-CD1 3.96Å; F238-L269 HydrophobicContact CZ-CB 4.21Å; F238-M272 HydrophobicContact CB-CE 3.86Å; F238-M272 HydrophobicContact CB-SD 3.56Å; F238-M272 VanDerWaalsContact CB-SD 3.56Å; F238-M272 HydrophobicContact CD2-SD 4.13Å; F238-M272 HydrophobicContact CG-SD 4.38Å |
| 239 | A | 98.9 | Very high | 98.8 | Very high | 30 Ų | 30 | 18.2 Ų | 18.2 | 25% | 0.248 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -59.3 | -41.7 | 173 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y195 E235 T236 L241 V242 E243 M272 | Y195-A239 HydrophobicContact CE2-CB 3.89Å; Y195-A239 PolarHBondContact OH-O 3.46Å; E235-A239 WeakPolarHBondContact O-CB 3.48Å; E235-A239 PolarHBondContact O-N 3.32Å; E235-A239 VanDerWaalsContact O-N 3.11Å; T236-A239 PolarHBondContact O-N 3.02Å; A239-L241 VanDerWaalsContact C-N 3.35Å; A239-L241 PolarHBondContact O-N 3.14Å; A239-V242 PolarHBondContact O-N 2.91Å; A239-E243 PolarHBondContact O-N 2.99Å; A239-M272 HydrophobicContact CB-CE 3.93Å |
| 240 | M | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -60.3 | -42 | 174.5 | -65.2 | 168.5 | 54 | 0 | 0 | 112.7 | Y195 T196 V197 V202 F204 I207 T236 V237 F238 E243 I244 | Y195-M240 HydrophobicContact CD1-CG 4.22Å; Y195-M240 HydrophobicContact CD2-CG 3.74Å; Y195-M240 HydrophobicContact CE1-CG 3.98Å; Y195-M240 HydrophobicContact CE2-CB 4.44Å; Y195-M240 HydrophobicContact CE2-CG 3.48Å; Y195-M240 VanDerWaalsContact CE2-CG 3.48Å; Y195-M240 HydrophobicContact CG-CG 4.12Å; Y195-M240 WeakPolarHBondContact OH-CA 3.45Å; Y195-M240 PolarHBondContact OH-N 3.45Å; T196-M240 WeakPolarHBondContact OG1-CE 3.45Å; V197-M240 HydrophobicContact CG2-CB 3.8Å; V197-M240 HydrophobicContact CG2-CE 4.49Å; V197-M240 HydrophobicContact CG2-CG 3.86Å; V202-M240 HydrophobicContact CB-CE 4.22Å; V202-M240 HydrophobicContact CG1-CB 4.29Å; V202-M240 HydrophobicContact CG1-CE 4.06Å; F204-M240 HydrophobicContact CD1-CE 4.24Å; F204-M240 HydrophobicContact CE1-CE 3.93Å; I207-M240 HydrophobicContact CD1-CE 3.83Å; I207-M240 HydrophobicContact CD1-SD 3.41Å; I207-M240 WeakPolarHBondContact CD1-SD 3.29Å; T236-M240 HydrophobicContact CG2-SD 4.29Å; T236-M240 VanDerWaalsContact O-CG 3.29Å; T236-M240 WeakPolarHBondContact O-CG 3.43Å; T236-M240 PolarHBondContact O-N 3.06Å; V237-M240 PolarHBondContact O-N 2.78Å; F238-M240 VanDerWaalsContact C-N 3.28Å; F238-M240 PolarHBondContact O-N 3.32Å; M240-E243 PolarHBondContact O-N 2.96Å; M240-I244 PolarHBondContact O-N 3.23Å; M240-I244 VanDerWaalsContact O-N 3.17Å |
| 241 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -66.3 | -40.4 | 177 | -66.9 | 172.5 | 0 | 0 | 0 | 112.1 | L129 V131 T136 V157 F204 V237 F238 A239 I244 T245 L269 | L129-L241 HydrophobicContact CD1-CD2 4.27Å; L129-L241 HydrophobicContact CD2-CB 4.03Å; V131-L241 HydrophobicContact CG1-CD1 3.98Å; V131-L241 HydrophobicContact CG1-CD2 3.9Å; T136-L241 HydrophobicContact CG2-CD2 3.6Å; V157-L241 HydrophobicContact CB-CD1 4.45Å; V157-L241 HydrophobicContact CG1-CD1 4.11Å; V157-L241 HydrophobicContact CG2-CD1 4.15Å; F204-L241 HydrophobicContact CZ-CD2 3.97Å; V237-L241 VanDerWaalsContact O-CG 3.3Å; V237-L241 WeakPolarHBondContact O-CG 3.15Å; V237-L241 PolarHBondContact O-N 3.43Å; V237-L241 VanDerWaalsContact O-N 3.16Å; F238-L241 HydrophobicContact CD1-CD1 4.12Å; F238-L241 PolarHBondContact O-N 3.4Å; F238-L241 VanDerWaalsContact O-N 3.14Å; A239-L241 VanDerWaalsContact C-N 3.35Å; A239-L241 PolarHBondContact O-N 3.14Å; L241-I244 HydrophobicContact CD2-CD1 4.31Å; L241-I244 VanDerWaalsContact O-CG1 3.28Å; L241-I244 WeakPolarHBondContact O-CG1 3.49Å; L241-T245 WeakPolarHBondContact O-CB 3.42Å; L241-T245 PolarHBondContact O-N 3.12Å; L241-T245 VanDerWaalsContact O-N 3.08Å; L241-T245 PolarHBondContact O-OG1 3.25Å; L241-L269 HydrophobicContact CB-CD1 4.44Å; L241-L269 HydrophobicContact CD1-CD1 4.17Å; L241-L269 HydrophobicContact CD1-CD2 4.32Å |
| 242 | V | 98.9 | Very high | 98.7 | Very high | 16 Ų | 16 | 27.6 Ų | 27.6 | 10% | 0.097 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.4 | -46.2 | 175.2 | 171.4 | 0 | 0 | 0 | 0 | 110 | F238 A239 I244 T245 E246 M272 M273 M276 | F238-V242 WeakPolarHBondContact O-CG2 3.4Å; F238-V242 PolarHBondContact O-N 2.93Å; A239-V242 PolarHBondContact O-N 2.91Å; V242-I244 PolarHBondContact O-N 3.07Å; V242-T245 PolarHBondContact O-N 3.28Å; V242-E246 WeakPolarHBondContact O-CB 3.39Å; V242-E246 PolarHBondContact O-N 3.2Å; V242-M272 HydrophobicContact CG2-CB 4.01Å; V242-M273 HydrophobicContact CB-CE 4.39Å; V242-M273 HydrophobicContact CB-SD 4.48Å; V242-M273 HydrophobicContact CG1-SD 4.49Å; V242-M273 HydrophobicContact CG2-CB 4.35Å; V242-M273 HydrophobicContact CG2-CE 3.82Å; V242-M273 HydrophobicContact CG2-SD 4.09Å; V242-M276 HydrophobicContact CG1-CB 3.55Å; V242-M276 HydrophobicContact CG1-CE 4.33Å; V242-M276 HydrophobicContact CG1-CG 3.74Å |
| 243 | E | 98.9 | Very high | 98.7 | Very high | 47 Ų | 47 | 30 Ų | 30 | 22% | 0.22 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.9 | -49.4 | 179.9 | -177.6 | -178.7 | 153.3 | 0 | 0 | 112.8 | Y195 A239 M240 T245 E246 R247 | Y195-E243 WeakPolarHBondContact CE1-OE2 3.37Å; Y195-E243 VanDerWaalsContact CZ-OE2 3.24Å; Y195-E243 PolarHBondContact OH-OE2 2.96Å; A239-E243 PolarHBondContact O-N 2.99Å; M240-E243 PolarHBondContact O-N 2.96Å; E243-T245 VanDerWaalsContact C-N 3.29Å; E243-T245 PolarHBondContact O-N 3.27Å; E243-E246 PolarHBondContact O-N 2.88Å; E243-R247 WeakPolarHBondContact O-CG 2.95Å; E243-R247 PolarHBondContact O-N 2.91Å; E243-R247 IonicContact OE1-CZ 2.82Å; E243-R247 IonicContact OE1-NE 3.81Å; E243-R247 PolarHBondContact OE1-NE 3.05Å; E243-R247 IonicContact OE1-NH2 3.5Å; E243-R247 PolarHBondContact OE1-NH2 3.07Å |
| 244 | I | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -67.7 | -32.3 | 180 | 63 | 172.4 | 0 | 0 | 0 | 112.3 | V138 V197 M200 V202 M240 L241 V242 A248 | V138-I244 HydrophobicContact CG2-CB 4.31Å; V138-I244 HydrophobicContact CG2-CD1 3.6Å; V138-I244 HydrophobicContact CG2-CG1 3.72Å; V197-I244 HydrophobicContact CG1-CG2 3.73Å; V197-I244 HydrophobicContact CG2-CG2 4.4Å; M200-I244 WeakPolarHBondContact O-CB 3.46Å; M200-I244 WeakPolarHBondContact O-CG2 3.29Å; V202-I244 HydrophobicContact CG1-CD1 3.74Å; V202-I244 HydrophobicContact CG1-CG1 4.41Å; V202-I244 HydrophobicContact CG1-CG2 3.74Å; V202-I244 HydrophobicContact CG2-CD1 3.99Å; M240-I244 PolarHBondContact O-N 3.23Å; M240-I244 VanDerWaalsContact O-N 3.17Å; L241-I244 HydrophobicContact CD2-CD1 4.31Å; L241-I244 VanDerWaalsContact O-CG1 3.28Å; L241-I244 WeakPolarHBondContact O-CG1 3.49Å; V242-I244 PolarHBondContact O-N 3.07Å; I244-A248 PolarHBondContact O-N 3.03Å; I244-A248 VanDerWaalsContact O-N 3.13Å |
| 245 | T | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -67.9 | -45 | 176.3 | -56.9 | 0 | 0 | 0 | 0 | 109.7 | T127 L129 L241 V242 E243 R247 A248 M249 M273 | T127-T245 HydrophobicContact CG2-CG2 4.3Å; L129-T245 HydrophobicContact CB-CG2 4.45Å; L241-T245 WeakPolarHBondContact O-CB 3.42Å; L241-T245 PolarHBondContact O-N 3.12Å; L241-T245 VanDerWaalsContact O-N 3.08Å; L241-T245 PolarHBondContact O-OG1 3.25Å; V242-T245 PolarHBondContact O-N 3.28Å; E243-T245 VanDerWaalsContact C-N 3.29Å; E243-T245 PolarHBondContact O-N 3.27Å; T245-R247 PolarHBondContact O-N 2.81Å; T245-A248 PolarHBondContact O-N 3.33Å; T245-M249 HydrophobicContact CG2-CG 4.45Å; T245-M249 HydrophobicContact CG2-SD 4.19Å; T245-M249 VanDerWaalsContact O-CG 3.3Å; T245-M249 WeakPolarHBondContact O-CG 3.27Å; T245-M249 PolarHBondContact O-N 2.75Å; T245-M273 HydrophobicContact CG2-CE 4.09Å; T245-M273 HydrophobicContact CG2-SD 3.78Å |
| 246 | E | 98.9 | Very high | 98.6 | Very high | 70 Ų | 70 | 35.4 Ų | 35.4 | 33% | 0.327 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -61.3 | -43.7 | 176.5 | -174.4 | 175.4 | -155 | 0 | 0 | 112.1 | V242 E243 A248 M249 A250 M276 R280 | V242-E246 WeakPolarHBondContact O-CB 3.39Å; V242-E246 PolarHBondContact O-N 3.2Å; E243-E246 PolarHBondContact O-N 2.88Å; E246-A248 VanDerWaalsContact C-N 3.33Å; E246-A248 PolarHBondContact O-N 3.37Å; E246-M249 PolarHBondContact O-N 3.38Å; E246-A250 WeakPolarHBondContact O-CB 3.37Å; E246-A250 PolarHBondContact O-N 2.73Å; E246-M276 HydrophobicContact CB-CE 4.04Å; E246-M276 HydrophobicContact CB-CG 4.05Å; E246-M276 HydrophobicContact CB-SD 3.75Å; E246-M276 HydrophobicContact CG-CG 4.1Å; E246-M276 HydrophobicContact CG-SD 3.74Å; E246-R280 IonicContact OE1-CZ 3.13Å; E246-R280 IonicContact OE1-NE 3.58Å; E246-R280 IonicContact OE1-NH2 3.28Å; E246-R280 PolarHBondContact OE1-NH2 2.67Å |
| 247 | R | 98.8 | Very high | 98.6 | Very high | 109 Ų | 109 | 34.7 Ų | 34.7 | 41% | 0.411 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -57.7 | -45 | 175.5 | -74.3 | 176.3 | -175.6 | -147 | -2.2 | 111.6 | G199 M200 E243 T245 A250 H251 | G199-R247 WeakPolarHBondContact O-CD 3.4Å; G199-R247 PolarHBondContact O-NH1 3.15Å; M200-R247 HydrophobicContact CG-CB 4.19Å; E243-R247 WeakPolarHBondContact O-CG 2.95Å; E243-R247 PolarHBondContact O-N 2.91Å; E243-R247 IonicContact OE1-CZ 2.82Å; E243-R247 IonicContact OE1-NE 3.81Å; E243-R247 PolarHBondContact OE1-NE 3.05Å; E243-R247 IonicContact OE1-NH2 3.5Å; E243-R247 PolarHBondContact OE1-NH2 3.07Å; T245-R247 PolarHBondContact O-N 2.81Å; R247-A250 PolarHBondContact O-N 2.94Å; R247-H251 WeakPolarHBondContact O-CB 3.44Å; R247-H251 PolarHBondContact O-N 3.35Å |
| 248 | A | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.008 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -68.6 | -40.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | T127 V138 F149 M200 I244 T245 E246 A250 H251 C252 | T127-A248 HydrophobicContact CG2-CB 3.98Å; V138-A248 HydrophobicContact CG1-CB 3.39Å; F149-A248 HydrophobicContact CB-CB 4.33Å; M200-A248 HydrophobicContact SD-CB 4.25Å; I244-A248 PolarHBondContact O-N 3.03Å; I244-A248 VanDerWaalsContact O-N 3.13Å; T245-A248 PolarHBondContact O-N 3.33Å; E246-A248 VanDerWaalsContact C-N 3.33Å; E246-A248 PolarHBondContact O-N 3.37Å; A248-A250 VanDerWaalsContact C-N 3.32Å; A248-A250 PolarHBondContact O-N 3.32Å; A248-H251 PolarHBondContact O-N 3.34Å; A248-C252 PolarHBondContact O-N 3.14Å |
| 249 | M | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.2 | -44.7 | 174.1 | -73.1 | 176.2 | 76.2 | 0 | 0 | 111.2 | T127 T245 E246 C252 G253 S254 A257 M276 A282 | T127-M249 HydrophobicContact CG2-CG 3.93Å; T245-M249 HydrophobicContact CG2-CG 4.45Å; T245-M249 HydrophobicContact CG2-SD 4.19Å; T245-M249 VanDerWaalsContact O-CG 3.3Å; T245-M249 WeakPolarHBondContact O-CG 3.27Å; T245-M249 PolarHBondContact O-N 2.75Å; E246-M249 PolarHBondContact O-N 3.38Å; M249-C252 PolarHBondContact O-N 2.91Å; M249-G253 CarbonylContact O-C 3.53Å; M249-G253 WeakPolarHBondContact O-CA 3.16Å; M249-G253 PolarHBondContact O-N 2.75Å; M249-S254 PolarHBondContact O-N 3.15Å; M249-A257 HydrophobicContact CE-CB 4.07Å; M249-A257 HydrophobicContact SD-CB 3.87Å; M249-M276 HydrophobicContact SD-CE 3.8Å; M249-M276 HydrophobicContact SD-SD 4.3Å; M249-A282 HydrophobicContact CE-CB 3.57Å |
| 250 | A | 98.6 | Very high | 98.6 | Very high | 55 Ų | 55 | 33.5 Ų | 33.5 | 46% | 0.455 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -63.9 | -41.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | E246 R247 A248 C252 G253 | E246-A250 WeakPolarHBondContact O-CB 3.37Å; E246-A250 PolarHBondContact O-N 2.73Å; R247-A250 PolarHBondContact O-N 2.94Å; A248-A250 VanDerWaalsContact C-N 3.32Å; A248-A250 PolarHBondContact O-N 3.32Å; A250-C252 VanDerWaalsContact C-N 3.35Å; A250-C252 PolarHBondContact O-N 3.34Å; A250-G253 PolarHBondContact O-N 2.97Å |
| 251 | H | 98.4 | Very high | 98.5 | Very high | 132 Ų | 132 | 33.5 Ų | 33.5 | 61% | 0.611 | 18% | 0.184 | S | C | * | . | H | α-helix | trans | -63.3 | -39.2 | 178.6 | -176.8 | 77.2 | 0 | 0 | 0 | 112.7 | F149 R247 A248 | F149-H251 AromaticContact CD1-CD2 3.91Å; F149-H251 AromaticContact CE1-CD2 3.56Å; F149-H251 AromaticContact CE1-NE2 3.96Å; R247-H251 WeakPolarHBondContact O-CB 3.44Å; R247-H251 PolarHBondContact O-N 3.35Å; A248-H251 PolarHBondContact O-N 3.34Å |
| 252 | C | 96.8 | Very high | 98.3 | Very high | 60 Ų | 60 | 34.6 Ų | 34.6 | 41% | 0.405 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -92.9 | -6.6 | -178.6 | -63.3 | 0 | 0 | 0 | 0 | 114 | A248 M249 A250 S254 | A248-C252 PolarHBondContact O-N 3.14Å; M249-C252 PolarHBondContact O-N 2.91Å; A250-C252 VanDerWaalsContact C-N 3.35Å; A250-C252 PolarHBondContact O-N 3.34Å; C252-S254 VanDerWaalsContact C-N 3.27Å; C252-S254 PolarHBondContact O-N 3.29Å |
| 253 | G | 97.4 | Very high | 98.2 | Very high | 52 Ų | 52 | 34.6 Ų | 34.6 | 54% | 0.536 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66 | 26.3 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | M249 A250 | M249-G253 CarbonylContact O-C 3.53Å; M249-G253 WeakPolarHBondContact O-CA 3.16Å; M249-G253 PolarHBondContact O-N 2.75Å; A250-G253 PolarHBondContact O-N 2.97Å |
| 254 | S | 97.7 | Very high | 98.1 | Very high | 12 Ų | 12 | 32.5 Ų | 32.5 | 8% | 0.084 | 19% | 0.186 | C | C | . | . | trans | -69.3 | 137.2 | -176 | -172.9 | 0 | 0 | 0 | 0 | 112.4 | T127 M249 C252 E256 | T127-S254 PolarHBondContact N-OG 3.26Å; T127-S254 VanDerWaalsContact OG1-CB 3.24Å; T127-S254 WeakPolarHBondContact OG1-CB 3.42Å; M249-S254 PolarHBondContact O-N 3.15Å; C252-S254 VanDerWaalsContact C-N 3.27Å; C252-S254 PolarHBondContact O-N 3.29Å; S254-E256 PolarHBondContact OG-N 2.93Å; S254-E256 PolarHBondContact OG-O 2.74Å | ||
| 255 | Q | 98.4 | Very high | 97.9 | Very high | 110 Ų | 110 | 33.6 Ų | 33.6 | 51% | 0.514 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -104.8 | 2.8 | 172.5 | -63.8 | -58.3 | -46.2 | 0 | 0 | 112.8 | G281 A282 R283 | Q255-G281 PolarHBondContact OE1-O 3.45Å; Q255-A282 CarbonylContact O-C 3.56Å; Q255-A282 WeakPolarHBondContact O-CA 3.49Å; Q255-A282 WeakPolarHBondContact O-CB 3.45Å; Q255-R283 PolarHBondContact O-N 3.47Å |
| 256 | E | 98.8 | Very high | 97.9 | Very high | 32 Ų | 32 | 34 Ų | 34 | 15% | 0.15 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 135.8 | 179.1 | -59.9 | -174.6 | 139.4 | 0 | 0 | 109.8 | T124 S125 P126 T127 S254 R283 F285 | T124-E256 PolarHBondContact N-OE2 3.09Å; S125-E256 PolarHBondContact N-OE2 2.67Å; P126-E256 VanDerWaalsContact CA-O 3.31Å; P126-E256 WeakPolarHBondContact CA-O 3.3Å; P126-E256 HydrophobicContact CB-CB 3.9Å; T127-E256 PolarHBondContact N-O 2.83Å; S254-E256 PolarHBondContact OG-N 2.93Å; S254-E256 PolarHBondContact OG-O 2.74Å; E256-R283 CarbonylContact C-O 3.13Å; E256-R283 WeakPolarHBondContact CA-O 3.44Å; E256-F285 HydrophobicContact CB-CD2 4.33Å; E256-F285 HydrophobicContact CB-CE2 3.98Å; E256-F285 HydrophobicContact CG-CE2 3.81Å; E256-F285 WeakPolarHBondContact OE1-CE2 3.12Å |
| 257 | A | 98.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.008 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 138.2 | 166.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | T127 M249 C277 R283 L284 F285 | T127-A257 CarbonylContact O-C 3.59Å; T127-A257 WeakPolarHBondContact O-CA 3.28Å; M249-A257 HydrophobicContact CE-CB 4.07Å; M249-A257 HydrophobicContact SD-CB 3.87Å; A257-C277 VanDerWaalsContact CB-SG 3.59Å; A257-R283 PolarHBondContact N-O 2.9Å; A257-L284 HydrophobicContact CB-CD1 3.84Å; A257-L284 CarbonylContact O-C 3.58Å; A257-F285 PolarHBondContact O-N 3.32Å |
| 258 | L | 98.9 | Very high | 97.9 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 122.6 | 174.7 | 171.9 | 64.5 | 0 | 0 | 0 | 109.1 | R118 T121 A123 P126 T127 V128 L129 V260 F285 | R118-L258 HydrophobicContact CG-CD2 4.28Å; T121-L258 HydrophobicContact CG2-CD1 4.16Å; A123-L258 HydrophobicContact CB-CD2 4.45Å; P126-L258 HydrophobicContact CB-CB 3.62Å; P126-L258 HydrophobicContact CG-CB 3.77Å; P126-L258 HydrophobicContact CG-CD2 4.07Å; T127-L258 PolarHBondContact O-N 3.45Å; V128-L258 CarbonylContact C-O 3.53Å; V128-L258 VanDerWaalsContact CA-O 3.26Å; V128-L258 WeakPolarHBondContact CA-O 3.39Å; V128-L258 HydrophobicContact CG1-CG 4.48Å; V128-L258 WeakPolarHBondContact CG1-O 3.23Å; V128-L258 HydrophobicContact CG2-CB 4.32Å; V128-L258 HydrophobicContact CG2-CD2 4.24Å; L129-L258 PolarHBondContact N-O 2.65Å; L258-V260 HydrophobicContact CD1-CG1 4.15Å; L258-V260 HydrophobicContact CD2-CG1 4.03Å; L258-V260 HydrophobicContact CG-CG1 3.84Å; L258-F285 WeakPolarHBondContact CA-O 3.35Å; L258-F285 HydrophobicContact CB-CB 4.46Å; L258-F285 HydrophobicContact CD1-CB 3.74Å |
| 259 | I | 98.6 | Very high | 97.9 | Very high | 2 Ų | 2 | 32.5 Ų | 32.5 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 128 | 173 | -52.7 | 162 | 0 | 0 | 0 | 109.1 | L129 V131 G264 L269 Q270 M273 L284 F285 | L129-I259 HydrophobicContact CB-CG1 4.49Å; L129-I259 WeakPolarHBondContact O-CA 3.48Å; V131-I259 HydrophobicContact CG2-CG2 4.04Å; I259-G264 VanDerWaalsContact CG2-CA 3.48Å; I259-L269 HydrophobicContact CG2-CD2 4.48Å; I259-Q270 HydrophobicContact CD1-CG 4.38Å; I259-M273 HydrophobicContact CD1-CB 3.83Å; I259-M273 HydrophobicContact CD1-CG 3.91Å; I259-M273 HydrophobicContact CG1-CG 4.33Å; I259-L284 HydrophobicContact CD1-CD1 3.81Å; I259-L284 HydrophobicContact CD1-CD2 4.05Å; I259-L284 HydrophobicContact CD1-CG 4.5Å; I259-L284 HydrophobicContact CG1-CD1 3.87Å; I259-F285 PolarHBondContact N-O 3.48Å |
| 260 | V | 98.5 | Very high | 97.9 | Very high | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.012 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 167.3 | 175.6 | -59.9 | 0 | 0 | 0 | 0 | 111.1 | H113 V128 L129 Y130 V131 L258 | H113-V260 HydrophobicContact CB-CB 4.06Å; H113-V260 HydrophobicContact CB-CG2 3.95Å; V128-V260 HydrophobicContact CG1-CG1 4.46Å; V128-V260 HydrophobicContact CG1-CG2 3.65Å; L129-V260 PolarHBondContact O-N 2.88Å; Y130-V260 HydrophobicContact CD2-CG2 3.77Å; Y130-V260 HydrophobicContact CG-CG2 4.13Å; V131-V260 PolarHBondContact N-O 3.33Å; L258-V260 HydrophobicContact CD1-CG1 4.15Å; L258-V260 HydrophobicContact CD2-CG1 4.03Å; L258-V260 HydrophobicContact CG-CG1 3.84Å |
| 261 | G | 96.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | S | Bend | trans | 87 | 166.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | H113 V131 V263 G264 C292 | H113-G261 PolarHBondContact ND1-N 3.42Å; V131-G261 CarbonylContact O-C 3.51Å; V131-G261 WeakPolarHBondContact O-CA 3.46Å; G261-V263 VanDerWaalsContact C-N 3.31Å; G261-V263 PolarHBondContact O-N 3.32Å; G261-G264 WeakPolarHBondContact O-CA 2.98Å; G261-G264 PolarHBondContact O-N 2.95Å; G261-C292 CarbonylContact C-O 3.6Å; G261-C292 WeakPolarHBondContact CA-O 3.43Å |
| 262 | G | 95 | Very high | 97.9 | Very high | 24 Ų | 24 | 32.1 Ų | 32.1 | 25% | 0.247 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -64.4 | -29.5 | -167.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | V131 G264 C265 C292 | V131-G262 PolarHBondContact O-N 3.16Å; G262-G264 PolarHBondContact O-N 3.15Å; G262-C265 VanDerWaalsContact O-CB 3.22Å; G262-C265 WeakPolarHBondContact O-CB 3.23Å; G262-C265 PolarHBondContact O-N 3.42Å; G262-C292 WeakPolarHBondContact CA-O 3.43Å; G262-C292 PolarHBondContact N-O 3.12Å; G262-C292 VanDerWaalsContact N-O 3.16Å |
| 263 | V | 97.8 | Very high | 98 | Very high | 16 Ų | 16 | 29.3 Ų | 29.3 | 10% | 0.097 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -74.1 | -21.7 | 174.8 | -177.2 | 0 | 0 | 0 | 0 | 110.7 | V131 V157 L161 F238 G261 C265 N266 L269 | V131-V263 HydrophobicContact CB-CB 3.95Å; V131-V263 HydrophobicContact CB-CG1 4.46Å; V131-V263 HydrophobicContact CG2-CB 3.84Å; V131-V263 HydrophobicContact CG2-CG1 4.26Å; V131-V263 WeakPolarHBondContact O-CB 3.29Å; V131-V263 PolarHBondContact O-N 2.94Å; V157-V263 HydrophobicContact CG1-CB 4.44Å; V157-V263 HydrophobicContact CG1-CG1 4.23Å; V157-V263 HydrophobicContact CG1-CG2 4.19Å; L161-V263 HydrophobicContact CD1-CG1 4.09Å; L161-V263 HydrophobicContact CD1-CG2 4.4Å; F238-V263 HydrophobicContact CE1-CG1 4.06Å; G261-V263 VanDerWaalsContact C-N 3.31Å; G261-V263 PolarHBondContact O-N 3.32Å; V263-C265 PolarHBondContact O-N 2.92Å; V263-C265 VanDerWaalsContact O-N 3.12Å; V263-N266 VanDerWaalsContact O-CB 3.23Å; V263-N266 WeakPolarHBondContact O-CB 3.22Å; V263-N266 PolarHBondContact O-N 3.4Å; V263-L269 HydrophobicContact CG1-CD2 4.1Å |
| 264 | G | 96.2 | Very high | 98.1 | Very high | 2 Ų | 2 | 28.7 Ų | 28.7 | 2% | 0.021 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -62.7 | -12.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | I259 G261 G262 N266 Q270 | I259-G264 VanDerWaalsContact CG2-CA 3.48Å; G261-G264 WeakPolarHBondContact O-CA 2.98Å; G261-G264 PolarHBondContact O-N 2.95Å; G262-G264 PolarHBondContact O-N 3.15Å; G264-N266 PolarHBondContact O-N 3Å; G264-Q270 PolarHBondContact O-NE2 3.27Å |
| 265 | C | 95.7 | Very high | 98.1 | Very high | 25 Ų | 25 | 31 Ų | 31 | 17% | 0.169 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -69 | -21.6 | 170.7 | -162.3 | 0 | 0 | 0 | 0 | 113.5 | G262 V263 V267 C292 I293 | G262-C265 VanDerWaalsContact O-CB 3.22Å; G262-C265 WeakPolarHBondContact O-CB 3.23Å; G262-C265 PolarHBondContact O-N 3.42Å; V263-C265 PolarHBondContact O-N 2.92Å; V263-C265 VanDerWaalsContact O-N 3.12Å; C265-V267 PolarHBondContact O-N 3.43Å; C265-C292 HydrophobicContact CB-CB 4.29Å; C265-C292 WeakPolarHBondContact CB-SG 3.37Å; C265-I293 HydrophobicContact CB-CD1 4.33Å |
| 266 | N | 98.4 | Very high | 98.1 | Very high | 7 Ų | 7 | 26.2 Ų | 26.2 | 4% | 0.037 | 15% | 0.147 | C | C | . | . | trans | -72 | 119.6 | -172.5 | -177.6 | -70.7 | 0 | 0 | 0 | 110.9 | E181 Q234 F238 V263 G264 R268 L269 Q270 | E181-N266 WeakPolarHBondContact CB-ND2 3.12Å; E181-N266 VanDerWaalsContact CG-ND2 3.35Å; E181-N266 WeakPolarHBondContact CG-ND2 3.34Å; E181-N266 WeakPolarHBondContact OE2-CA 3.39Å; E181-N266 PolarHBondContact OE2-ND2 3.03Å; Q234-N266 PolarHBondContact NE2-ND2 3.09Å; F238-N266 VanDerWaalsContact CE2-OD1 3.28Å; F238-N266 WeakPolarHBondContact CE2-OD1 3.24Å; F238-N266 HydrophobicContact CZ-CB 4.29Å; V263-N266 VanDerWaalsContact O-CB 3.23Å; V263-N266 WeakPolarHBondContact O-CB 3.22Å; V263-N266 PolarHBondContact O-N 3.4Å; G264-N266 PolarHBondContact O-N 3Å; N266-R268 VanDerWaalsContact C-N 3.28Å; N266-R268 PolarHBondContact O-N 3.45Å; N266-R268 WeakPolarHBondContact OD1-CA 3.47Å; N266-R268 VanDerWaalsContact OD1-CB 3.3Å; N266-R268 WeakPolarHBondContact OD1-CB 3.43Å; N266-R268 PolarHBondContact OD1-N 3.06Å; N266-L269 HydrophobicContact CB-CB 4.23Å; N266-L269 PolarHBondContact O-N 3.31Å; N266-L269 PolarHBondContact OD1-N 3.42Å; N266-Q270 WeakPolarHBondContact O-CG 3.41Å; N266-Q270 PolarHBondContact O-N 3.45Å; N266-Q270 VanDerWaalsContact O-N 3.11Å | ||
| 267 | V | 98.1 | Very high | 98.1 | Very high | 77 Ų | 77 | 24.7 Ų | 24.7 | 47% | 0.467 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -72.9 | -22.8 | -173.7 | -60.6 | 0 | 0 | 0 | 0 | 112.8 | E181 C265 Q270 E271 | E181-V267 WeakPolarHBondContact OE1-CG2 3.19Å; E181-V267 PolarHBondContact OE1-N 3.17Å; E181-V267 VanDerWaalsContact OE1-N 3.14Å; C265-V267 PolarHBondContact O-N 3.43Å; V267-Q270 PolarHBondContact O-N 3.12Å; V267-E271 WeakPolarHBondContact O-CB 3.44Å; V267-E271 PolarHBondContact O-N 3.48Å |
| 268 | R | 98.8 | Very high | 98.1 | Very high | 72 Ų | 72 | 32 Ų | 32 | 27% | 0.272 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -70.2 | -42.3 | 174.4 | -180 | 58.3 | -179.1 | 153.4 | 7.6 | 111.3 | E235 F238 N266 E271 M272 | E235-R268 VanDerWaalsContact CD-NH2 3.33Å; E235-R268 IonicContact OE1-CZ 3.31Å; E235-R268 IonicContact OE1-NE 3.58Å; E235-R268 PolarHBondContact OE1-NE 3.46Å; E235-R268 IonicContact OE1-NH2 3.77Å; E235-R268 PolarHBondContact OE1-NH2 2.88Å; E235-R268 VanDerWaalsContact OE1-NH2 3.15Å; E235-R268 IonicContact OE2-CZ 3.5Å; E235-R268 IonicContact OE2-NE 2.82Å; E235-R268 IonicContact OE2-NH2 3.51Å; E235-R268 PolarHBondContact OE2-NH2 2.98Å; F238-R268 HydrophobicContact CD2-CG 4.23Å; F238-R268 HydrophobicContact CE2-CB 4.32Å; F238-R268 HydrophobicContact CE2-CG 4.41Å; N266-R268 VanDerWaalsContact C-N 3.28Å; N266-R268 PolarHBondContact O-N 3.45Å; N266-R268 WeakPolarHBondContact OD1-CA 3.47Å; N266-R268 VanDerWaalsContact OD1-CB 3.3Å; N266-R268 WeakPolarHBondContact OD1-CB 3.43Å; N266-R268 PolarHBondContact OD1-N 3.06Å; R268-E271 WeakPolarHBondContact CD-OE2 3.3Å; R268-E271 IonicContact CZ-OE2 3.51Å; R268-E271 IonicContact NH1-OE2 2.96Å; R268-E271 PolarHBondContact NH1-OE2 2.88Å; R268-E271 PolarHBondContact O-N 3.22Å; R268-M272 HydrophobicContact CG-SD 4.19Å; R268-M272 VanDerWaalsContact O-CG 3.29Å; R268-M272 WeakPolarHBondContact O-CG 3.42Å; R268-M272 PolarHBondContact O-N 3.36Å |
| 269 | L | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.5 | -44.5 | 171.9 | 174.3 | 61.4 | 0 | 0 | 0 | 111.3 | V131 F238 L241 I259 V263 N266 E271 M272 M273 | V131-L269 HydrophobicContact CG2-CD2 4Å; F238-L269 HydrophobicContact CB-CD1 3.89Å; F238-L269 HydrophobicContact CD1-CB 4.15Å; F238-L269 HydrophobicContact CD1-CD1 4.02Å; F238-L269 HydrophobicContact CD1-CD2 4.47Å; F238-L269 HydrophobicContact CD1-CG 4.44Å; F238-L269 HydrophobicContact CD2-CB 3.94Å; F238-L269 HydrophobicContact CE1-CB 4.26Å; F238-L269 HydrophobicContact CE2-CB 4.04Å; F238-L269 HydrophobicContact CG-CB 4Å; F238-L269 HydrophobicContact CG-CD1 3.96Å; F238-L269 HydrophobicContact CZ-CB 4.21Å; L241-L269 HydrophobicContact CB-CD1 4.44Å; L241-L269 HydrophobicContact CD1-CD1 4.17Å; L241-L269 HydrophobicContact CD1-CD2 4.32Å; I259-L269 HydrophobicContact CG2-CD2 4.48Å; V263-L269 HydrophobicContact CG1-CD2 4.1Å; N266-L269 HydrophobicContact CB-CB 4.23Å; N266-L269 PolarHBondContact O-N 3.31Å; N266-L269 PolarHBondContact OD1-N 3.42Å; L269-E271 VanDerWaalsContact C-N 3.34Å; L269-E271 PolarHBondContact O-N 2.9Å; L269-M272 PolarHBondContact O-N 3.02Å; L269-M273 WeakPolarHBondContact O-CB 3.5Å; L269-M273 PolarHBondContact O-N 2.94Å |
| 270 | Q | 98.7 | Very high | 98.1 | Very high | 49 Ų | 49 | 43.1 Ų | 43.1 | 23% | 0.229 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.3 | -43.5 | 176.4 | -68.5 | 179.6 | 20.9 | 0 | 0 | 111.6 | I259 G264 N266 V267 M273 A274 L284 A286 | I259-Q270 HydrophobicContact CD1-CG 4.38Å; G264-Q270 PolarHBondContact O-NE2 3.27Å; N266-Q270 WeakPolarHBondContact O-CG 3.41Å; N266-Q270 PolarHBondContact O-N 3.45Å; N266-Q270 VanDerWaalsContact O-N 3.11Å; V267-Q270 PolarHBondContact O-N 3.12Å; Q270-M273 PolarHBondContact O-N 3.45Å; Q270-A274 WeakPolarHBondContact O-CB 3.3Å; Q270-A274 PolarHBondContact O-N 3.42Å; Q270-L284 VanDerWaalsContact O-CD2 3.23Å; Q270-L284 WeakPolarHBondContact O-CD2 3.43Å; Q270-A286 HydrophobicContact CG-CB 4.02Å |
| 271 | E | 98.8 | Very high | 98.1 | Very high | 103 Ų | 103 | 45.8 Ų | 45.8 | 48% | 0.481 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -60 | -51.1 | 176.3 | -177.6 | -176.7 | -147.3 | 0 | 0 | 111.5 | V267 R268 L269 M273 A274 T275 | V267-E271 WeakPolarHBondContact O-CB 3.44Å; V267-E271 PolarHBondContact O-N 3.48Å; R268-E271 WeakPolarHBondContact CD-OE2 3.3Å; R268-E271 IonicContact CZ-OE2 3.51Å; R268-E271 IonicContact NH1-OE2 2.96Å; R268-E271 PolarHBondContact NH1-OE2 2.88Å; R268-E271 PolarHBondContact O-N 3.22Å; L269-E271 VanDerWaalsContact C-N 3.34Å; L269-E271 PolarHBondContact O-N 2.9Å; E271-M273 VanDerWaalsContact C-N 3.33Å; E271-M273 PolarHBondContact O-N 3.08Å; E271-A274 WeakPolarHBondContact O-CB 3.24Å; E271-A274 PolarHBondContact O-N 3.26Å; E271-A274 VanDerWaalsContact O-N 3.11Å; E271-T275 PolarHBondContact O-N 2.94Å; E271-T275 PolarHBondContact O-OG1 3.22Å; E271-T275 VanDerWaalsContact O-OG1 3.11Å |
| 272 | M | 98.9 | Very high | 98.2 | Very high | 27 Ų | 27 | 46.5 Ų | 46.5 | 13% | 0.133 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.5 | -40.9 | -179.7 | -67.6 | 171.7 | 72.1 | 0 | 0 | 112.4 | F238 A239 V242 R268 L269 M276 | F238-M272 HydrophobicContact CB-CE 3.86Å; F238-M272 HydrophobicContact CB-SD 3.56Å; F238-M272 VanDerWaalsContact CB-SD 3.56Å; F238-M272 HydrophobicContact CD2-SD 4.13Å; F238-M272 HydrophobicContact CG-SD 4.38Å; A239-M272 HydrophobicContact CB-CE 3.93Å; V242-M272 HydrophobicContact CG2-CB 4.01Å; R268-M272 HydrophobicContact CG-SD 4.19Å; R268-M272 VanDerWaalsContact O-CG 3.29Å; R268-M272 WeakPolarHBondContact O-CG 3.42Å; R268-M272 PolarHBondContact O-N 3.36Å; L269-M272 PolarHBondContact O-N 3.02Å; M272-M276 PolarHBondContact O-N 3.4Å |
| 273 | M | 98.9 | Very high | 98.3 | Very high | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -69.6 | -35 | 176 | -167 | 71.7 | 67.2 | 0 | 0 | 111.8 | L129 V242 T245 I259 L269 Q270 E271 M276 C277 L284 | L129-M273 HydrophobicContact CD2-CE 3.43Å; L129-M273 VanDerWaalsContact CD2-CE 3.43Å; V242-M273 HydrophobicContact CB-CE 4.39Å; V242-M273 HydrophobicContact CB-SD 4.48Å; V242-M273 HydrophobicContact CG1-SD 4.49Å; V242-M273 HydrophobicContact CG2-CB 4.35Å; V242-M273 HydrophobicContact CG2-CE 3.82Å; V242-M273 HydrophobicContact CG2-SD 4.09Å; T245-M273 HydrophobicContact CG2-CE 4.09Å; T245-M273 HydrophobicContact CG2-SD 3.78Å; I259-M273 HydrophobicContact CD1-CB 3.83Å; I259-M273 HydrophobicContact CD1-CG 3.91Å; I259-M273 HydrophobicContact CG1-CG 4.33Å; L269-M273 WeakPolarHBondContact O-CB 3.5Å; L269-M273 PolarHBondContact O-N 2.94Å; Q270-M273 PolarHBondContact O-N 3.45Å; E271-M273 VanDerWaalsContact C-N 3.33Å; E271-M273 PolarHBondContact O-N 3.08Å; M273-M276 HydrophobicContact CG-CE 4.38Å; M273-M276 PolarHBondContact O-N 3.39Å; M273-M276 HydrophobicContact SD-CE 3.37Å; M273-M276 WeakPolarHBondContact SD-CE 3.23Å; M273-C277 WeakPolarHBondContact O-CB 3.33Å; M273-C277 PolarHBondContact O-N 3.23Å; M273-C277 PolarHBondContact O-SG 3.18Å; M273-L284 HydrophobicContact CB-CD1 4.41Å; M273-L284 HydrophobicContact CB-CD2 3.68Å; M273-L284 HydrophobicContact CG-CD1 3.75Å; M273-L284 HydrophobicContact CG-CD2 3.9Å; M273-L284 HydrophobicContact CG-CG 4.45Å |
| 274 | A | 98.8 | Very high | 98.4 | Very high | 39 Ų | 39 | 53.9 Ų | 53.9 | 32% | 0.322 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -66.1 | -42.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q270 E271 C277 Q278 L284 | Q270-A274 WeakPolarHBondContact O-CB 3.3Å; Q270-A274 PolarHBondContact O-N 3.42Å; E271-A274 WeakPolarHBondContact O-CB 3.24Å; E271-A274 PolarHBondContact O-N 3.26Å; E271-A274 VanDerWaalsContact O-N 3.11Å; A274-C277 PolarHBondContact O-N 2.83Å; A274-Q278 VanDerWaalsContact O-CB 3.29Å; A274-Q278 WeakPolarHBondContact O-CB 3.33Å; A274-Q278 PolarHBondContact O-N 3.34Å; A274-L284 HydrophobicContact CB-CD2 3.84Å; A274-L284 VanDerWaalsContact N-CD2 3.34Å |
| 275 | T | 98.9 | Very high | 98.5 | Very high | 61 Ų | 61 | 54.4 Ų | 54.4 | 37% | 0.374 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -55.9 | -54.9 | 173.7 | -61.3 | 0 | 0 | 0 | 0 | 110.6 | E271 C277 Q278 E279 | E271-T275 PolarHBondContact O-N 2.94Å; E271-T275 PolarHBondContact O-OG1 3.22Å; E271-T275 VanDerWaalsContact O-OG1 3.11Å; T275-C277 VanDerWaalsContact C-N 3.33Å; T275-C277 PolarHBondContact O-N 2.89Å; T275-Q278 WeakPolarHBondContact O-CB 3.34Å; T275-Q278 PolarHBondContact O-N 3.1Å; T275-Q278 VanDerWaalsContact O-N 3.07Å; T275-E279 WeakPolarHBondContact CG2-OE1 3.28Å; T275-E279 WeakPolarHBondContact CG2-OE2 3.25Å; T275-E279 VanDerWaalsContact O-CD 3.27Å; T275-E279 PolarHBondContact O-N 3.44Å |
| 276 | M | 98.8 | Very high | 98.6 | Very high | 9 Ų | 9 | 54.8 Ų | 54.8 | 4% | 0.044 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -57.2 | -44.5 | 177.2 | 179 | -80.3 | -67.2 | 0 | 0 | 112.4 | V242 E246 M249 M272 M273 Q278 E279 R280 | V242-M276 HydrophobicContact CG1-CB 3.55Å; V242-M276 HydrophobicContact CG1-CE 4.33Å; V242-M276 HydrophobicContact CG1-CG 3.74Å; E246-M276 HydrophobicContact CB-CE 4.04Å; E246-M276 HydrophobicContact CB-CG 4.05Å; E246-M276 HydrophobicContact CB-SD 3.75Å; E246-M276 HydrophobicContact CG-CG 4.1Å; E246-M276 HydrophobicContact CG-SD 3.74Å; M249-M276 HydrophobicContact SD-CE 3.8Å; M249-M276 HydrophobicContact SD-SD 4.3Å; M272-M276 PolarHBondContact O-N 3.4Å; M273-M276 HydrophobicContact CG-CE 4.38Å; M273-M276 PolarHBondContact O-N 3.39Å; M273-M276 HydrophobicContact SD-CE 3.37Å; M273-M276 WeakPolarHBondContact SD-CE 3.23Å; M276-Q278 VanDerWaalsContact C-N 3.35Å; M276-Q278 PolarHBondContact O-N 3.4Å; M276-E279 WeakPolarHBondContact CA-OE2 3.37Å; M276-E279 PolarHBondContact N-OE2 3.02Å; M276-E279 PolarHBondContact O-N 2.98Å; M276-R280 WeakPolarHBondContact O-CB 3.39Å; M276-R280 PolarHBondContact O-N 3.24Å |
| 277 | C | 98.8 | Very high | 98.4 | Very high | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.007 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.3 | -42.6 | 177.2 | -70.6 | 0 | 0 | 0 | 0 | 111.7 | A257 M273 A274 T275 E279 R280 G281 A282 L284 | A257-C277 VanDerWaalsContact CB-SG 3.59Å; M273-C277 WeakPolarHBondContact O-CB 3.33Å; M273-C277 PolarHBondContact O-N 3.23Å; M273-C277 PolarHBondContact O-SG 3.18Å; A274-C277 PolarHBondContact O-N 2.83Å; T275-C277 VanDerWaalsContact C-N 3.33Å; T275-C277 PolarHBondContact O-N 2.89Å; C277-E279 PolarHBondContact O-N 2.85Å; C277-R280 CarbonylContact O-C 3.59Å; C277-R280 PolarHBondContact O-N 3.32Å; C277-G281 PolarHBondContact O-N 3.15Å; C277-A282 CarbonylContact C-O 3.59Å; C277-A282 HydrophobicContact CB-CB 4.27Å; C277-A282 PolarHBondContact O-N 2.86Å; C277-L284 HydrophobicContact CB-CB 4.25Å |
| 278 | Q | 98.6 | Very high | 98 | Very high | 155 Ų | 155 | 54 Ų | 54 | 72% | 0.724 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -61.9 | -44.5 | 179.2 | -177.8 | -177.9 | -12.7 | 0 | 0 | 111.5 | A274 T275 M276 R280 G281 | A274-Q278 VanDerWaalsContact O-CB 3.29Å; A274-Q278 WeakPolarHBondContact O-CB 3.33Å; A274-Q278 PolarHBondContact O-N 3.34Å; T275-Q278 WeakPolarHBondContact O-CB 3.34Å; T275-Q278 PolarHBondContact O-N 3.1Å; T275-Q278 VanDerWaalsContact O-N 3.07Å; M276-Q278 VanDerWaalsContact C-N 3.35Å; M276-Q278 PolarHBondContact O-N 3.4Å; Q278-R280 VanDerWaalsContact C-N 3.27Å; Q278-R280 PolarHBondContact O-N 3.3Å; Q278-G281 PolarHBondContact O-N 3.12Å; Q278-G281 VanDerWaalsContact O-N 3.12Å |
| 279 | E | 98.6 | Very high | 97.6 | Very high | 150 Ų | 150 | 56.4 Ų | 56.4 | 70% | 0.701 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -67.8 | -29 | 178 | -71.8 | 139.1 | 172.3 | 0 | 0 | 112.6 | T275 M276 C277 | T275-E279 WeakPolarHBondContact CG2-OE1 3.28Å; T275-E279 WeakPolarHBondContact CG2-OE2 3.25Å; T275-E279 VanDerWaalsContact O-CD 3.27Å; T275-E279 PolarHBondContact O-N 3.44Å; M276-E279 WeakPolarHBondContact CA-OE2 3.37Å; M276-E279 PolarHBondContact N-OE2 3.02Å; M276-E279 PolarHBondContact O-N 2.98Å; C277-E279 PolarHBondContact O-N 2.85Å |
| 280 | R | 98.3 | Very high | 97.3 | Very high | 85 Ų | 85 | 63.9 Ų | 63.9 | 32% | 0.321 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -78 | -15.7 | 172 | 178.6 | 168.3 | -71.8 | -83.8 | -9.5 | 113.9 | E246 M276 C277 Q278 A282 | E246-R280 IonicContact OE1-CZ 3.13Å; E246-R280 IonicContact OE1-NE 3.58Å; E246-R280 IonicContact OE1-NH2 3.28Å; E246-R280 PolarHBondContact OE1-NH2 2.67Å; M276-R280 WeakPolarHBondContact O-CB 3.39Å; M276-R280 PolarHBondContact O-N 3.24Å; C277-R280 CarbonylContact O-C 3.59Å; C277-R280 PolarHBondContact O-N 3.32Å; Q278-R280 VanDerWaalsContact C-N 3.27Å; Q278-R280 PolarHBondContact O-N 3.3Å; R280-A282 VanDerWaalsContact C-N 3.3Å; R280-A282 HydrophobicContact CB-CB 4.38Å; R280-A282 HydrophobicContact CG-CB 4.09Å |
| 281 | G | 98.4 | Very high | 97.2 | Very high | 59 Ų | 59 | 62.3 Ų | 62.3 | 61% | 0.608 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.1 | 17 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q255 C277 Q278 | Q255-G281 PolarHBondContact OE1-O 3.45Å; C277-G281 PolarHBondContact O-N 3.15Å; Q278-G281 PolarHBondContact O-N 3.12Å; Q278-G281 VanDerWaalsContact O-N 3.12Å |
| 282 | A | 98.6 | Very high | 96.9 | Very high | 15 Ų | 15 | 57.4 Ų | 57.4 | 12% | 0.124 | 29% | 0.29 | C | S | . | . | trans | -95.8 | 168.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | M249 Q255 C277 R280 | M249-A282 HydrophobicContact CE-CB 3.57Å; Q255-A282 CarbonylContact O-C 3.56Å; Q255-A282 WeakPolarHBondContact O-CA 3.49Å; Q255-A282 WeakPolarHBondContact O-CB 3.45Å; C277-A282 CarbonylContact C-O 3.59Å; C277-A282 HydrophobicContact CB-CB 4.27Å; C277-A282 PolarHBondContact O-N 2.86Å; R280-A282 VanDerWaalsContact C-N 3.3Å; R280-A282 HydrophobicContact CB-CB 4.38Å; R280-A282 HydrophobicContact CG-CB 4.09Å | ||
| 283 | R | 98.5 | Very high | 96.8 | Very high | 157 Ų | 157 | 57.9 Ų | 57.9 | 59% | 0.592 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 131.1 | 177.5 | -173.1 | 173.4 | 179.5 | -171.1 | 0.4 | 111.5 | Q255 E256 A257 F285 | Q255-R283 PolarHBondContact O-N 3.47Å; E256-R283 CarbonylContact C-O 3.13Å; E256-R283 WeakPolarHBondContact CA-O 3.44Å; A257-R283 PolarHBondContact N-O 2.9Å; R283-F285 HydrophobicContact CB-CE2 4.17Å; R283-F285 VanDerWaalsContact CD-CZ 3.48Å; R283-F285 HydrophobicContact CG-CD2 4.38Å; R283-F285 HydrophobicContact CG-CE2 3.88Å; R283-F285 HydrophobicContact CG-CZ 4.03Å |
| 284 | L | 98.8 | Very high | 96.7 | Very high | 37 Ų | 37 | 58.1 Ų | 58.1 | 19% | 0.194 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 136.1 | 169 | -179.7 | 58.9 | 0 | 0 | 0 | 111.4 | A257 I259 Q270 M273 A274 C277 | A257-L284 HydrophobicContact CB-CD1 3.84Å; A257-L284 CarbonylContact O-C 3.58Å; I259-L284 HydrophobicContact CD1-CD1 3.81Å; I259-L284 HydrophobicContact CD1-CD2 4.05Å; I259-L284 HydrophobicContact CD1-CG 4.5Å; I259-L284 HydrophobicContact CG1-CD1 3.87Å; Q270-L284 VanDerWaalsContact O-CD2 3.23Å; Q270-L284 WeakPolarHBondContact O-CD2 3.43Å; M273-L284 HydrophobicContact CB-CD1 4.41Å; M273-L284 HydrophobicContact CB-CD2 3.68Å; M273-L284 HydrophobicContact CG-CD1 3.75Å; M273-L284 HydrophobicContact CG-CD2 3.9Å; M273-L284 HydrophobicContact CG-CG 4.45Å; A274-L284 HydrophobicContact CB-CD2 3.84Å; A274-L284 VanDerWaalsContact N-CD2 3.34Å; C277-L284 HydrophobicContact CB-CB 4.25Å |
| 285 | F | 98.7 | Very high | 96.7 | Very high | 13 Ų | 13 | 56.2 Ų | 56.2 | 6% | 0.057 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 137.5 | 168.4 | -62.3 | -88.1 | 0 | 0 | 0 | 110.2 | T121 A123 E256 A257 L258 I259 R283 | T121-F285 HydrophobicContact CG2-CB 4.19Å; T121-F285 WeakPolarHBondContact O-CD1 3.32Å; T121-F285 WeakPolarHBondContact O-CE1 3.36Å; A123-F285 HydrophobicContact CB-CB 4.4Å; A123-F285 HydrophobicContact CB-CD1 4.4Å; A123-F285 HydrophobicContact CB-CD2 3.83Å; A123-F285 HydrophobicContact CB-CE2 4.08Å; A123-F285 HydrophobicContact CB-CG 3.97Å; A123-F285 HydrophobicContact CB-CZ 4.42Å; E256-F285 HydrophobicContact CB-CD2 4.33Å; E256-F285 HydrophobicContact CB-CE2 3.98Å; E256-F285 HydrophobicContact CG-CE2 3.81Å; E256-F285 WeakPolarHBondContact OE1-CE2 3.12Å; A257-F285 PolarHBondContact O-N 3.32Å; L258-F285 WeakPolarHBondContact CA-O 3.35Å; L258-F285 HydrophobicContact CB-CB 4.46Å; L258-F285 HydrophobicContact CD1-CB 3.74Å; I259-F285 PolarHBondContact N-O 3.48Å; R283-F285 HydrophobicContact CB-CE2 4.17Å; R283-F285 VanDerWaalsContact CD-CZ 3.48Å; R283-F285 HydrophobicContact CG-CD2 4.38Å; R283-F285 HydrophobicContact CG-CE2 3.88Å; R283-F285 HydrophobicContact CG-CZ 4.03Å |
| 286 | A | 97.1 | Very high | 96.7 | Very high | 34 Ų | 34 | 53.3 Ų | 53.3 | 28% | 0.281 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 146.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | Q270 | Q270-A286 HydrophobicContact CG-CB 4.02Å |
| 287 | T | 94.2 | Very high | 96.7 | Very high | 9 Ų | 9 | 52.9 Ų | 52.9 | 6% | 0.055 | 26% | 0.259 | C | S | . | . | trans | -87.2 | 158.3 | 172.5 | 54.9 | 0 | 0 | 0 | 0 | 111.2 | I120 T121 F291 C292 | I120-T287 HydrophobicContact CB-CG2 4.28Å; I120-T287 HydrophobicContact CG2-CG2 4.34Å; T121-T287 HydrophobicContact CG2-CG2 3.97Å; T287-F291 HydrophobicContact CG2-CB 4.36Å; T287-C292 PolarHBondContact OG1-N 2.96Å | ||
| 288 | D | 91.1 | Very high | 96.7 | Very high | 58 Ų | 58 | 52.9 Ų | 52.9 | 31% | 0.31 | 26% | 0.258 | S | S | . | . | trans | -80.9 | 176.3 | 172.7 | 67.5 | 73.9 | 0 | 0 | 0 | 113.6 | R290 F291 C292 | D288-R290 PolarHBondContact O-N 2.93Å; D288-R290 WeakPolarHBondContact OD1-CB 3.32Å; D288-R290 WeakPolarHBondContact OD1-CG 3.44Å; D288-R290 IonicContact OD1-CZ 2.72Å; D288-R290 PolarHBondContact OD1-N 3.35Å; D288-R290 IonicContact OD1-NE 3.67Å; D288-R290 PolarHBondContact OD1-NE 3.47Å; D288-R290 IonicContact OD1-NH2 2.92Å; D288-R290 IonicContact OD2-CZ 2.74Å; D288-R290 IonicContact OD2-NE 2.73Å; D288-R290 PolarHBondContact OD2-NE 3.12Å; D288-R290 IonicContact OD2-NH2 3.22Å; D288-R290 PolarHBondContact OD2-NH2 3.14Å; D288-F291 PolarHBondContact O-N 3.46Å; D288-C292 PolarHBondContact O-N 3.26Å; D288-C292 PolarHBondContact O-SG 3.07Å; D288-C292 VanDerWaalsContact O-SG 3.36Å | ||
| 289 | E | 89.6 | Confident | 96.8 | Very high | 123 Ų | 123 | 45.5 Ų | 45.5 | 58% | 0.575 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -53.1 | -25.3 | -176.7 | -56.8 | -172.7 | 155.3 | 0 | 0 | 114.7 | R29 F291 C292 | R29-E289 PolarHBondContact NH2-O 3.44Å; E289-F291 VanDerWaalsContact C-N 3.31Å; E289-F291 PolarHBondContact O-N 2.72Å; E289-C292 WeakPolarHBondContact CA-SG 3.42Å |
| 290 | R | 93.4 | Very high | 96.8 | Very high | 156 Ų | 156 | 38.3 Ų | 38.3 | 59% | 0.589 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -68.8 | -33 | 178.9 | -58.7 | 171.7 | -67.3 | 176.3 | 0.4 | 111.1 | R29 D288 | R29-R290 PolarHBondContact NH1-O 3.46Å; D288-R290 PolarHBondContact O-N 2.93Å; D288-R290 WeakPolarHBondContact OD1-CB 3.32Å; D288-R290 WeakPolarHBondContact OD1-CG 3.44Å; D288-R290 IonicContact OD1-CZ 2.72Å; D288-R290 PolarHBondContact OD1-N 3.35Å; D288-R290 IonicContact OD1-NE 3.67Å; D288-R290 PolarHBondContact OD1-NE 3.47Å; D288-R290 IonicContact OD1-NH2 2.92Å; D288-R290 IonicContact OD2-CZ 2.74Å; D288-R290 IonicContact OD2-NE 2.73Å; D288-R290 PolarHBondContact OD2-NE 3.12Å; D288-R290 IonicContact OD2-NH2 3.22Å; D288-R290 PolarHBondContact OD2-NH2 3.14Å |
| 291 | F | 96.5 | Very high | 96.8 | Very high | 17 Ų | 17 | 34.4 Ų | 34.4 | 8% | 0.075 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -118.9 | -21.7 | -168.7 | -54.3 | -65.4 | 0 | 0 | 0 | 115 | V24 M116 I120 T287 D288 E289 N295 | V24-F291 HydrophobicContact CG1-CE1 4.35Å; V24-F291 HydrophobicContact CG2-CE1 3.93Å; V24-F291 HydrophobicContact CG2-CZ 4.21Å; M116-F291 HydrophobicContact CE-CD1 4.44Å; M116-F291 HydrophobicContact CG-CB 4.02Å; M116-F291 HydrophobicContact CG-CD1 4.12Å; M116-F291 HydrophobicContact CG-CG 4.29Å; M116-F291 HydrophobicContact SD-CD1 3.79Å; M116-F291 HydrophobicContact SD-CE1 4.21Å; M116-F291 HydrophobicContact SD-CG 4.27Å; I120-F291 HydrophobicContact CD1-CD2 4Å; I120-F291 HydrophobicContact CD1-CE1 4.34Å; I120-F291 HydrophobicContact CD1-CE2 3.65Å; I120-F291 HydrophobicContact CD1-CG 4.46Å; I120-F291 HydrophobicContact CD1-CZ 3.84Å; I120-F291 HydrophobicContact CG1-CD2 3.85Å; I120-F291 HydrophobicContact CG1-CE2 4.05Å; I120-F291 HydrophobicContact CG1-CG 4.1Å; I120-F291 HydrophobicContact CG1-CZ 4.5Å; I120-F291 HydrophobicContact CG2-CD2 4.11Å; I120-F291 HydrophobicContact CG2-CE2 4.39Å; T287-F291 HydrophobicContact CG2-CB 4.36Å; D288-F291 PolarHBondContact O-N 3.46Å; E289-F291 VanDerWaalsContact C-N 3.31Å; E289-F291 PolarHBondContact O-N 2.72Å; F291-N295 PolarHBondContact O-ND2 3.28Å; F291-N295 VanDerWaalsContact O-ND2 3.09Å |
| 292 | C | 92.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -68.6 | -36.4 | 177.7 | 61 | 0 | 0 | 0 | 0 | 112.7 | H113 G261 G262 C265 T287 D288 E289 | H113-C292 PolarHBondContact CE1-O 3.3Å; G261-C292 CarbonylContact C-O 3.6Å; G261-C292 WeakPolarHBondContact CA-O 3.43Å; G262-C292 WeakPolarHBondContact CA-O 3.43Å; G262-C292 PolarHBondContact N-O 3.12Å; G262-C292 VanDerWaalsContact N-O 3.16Å; C265-C292 HydrophobicContact CB-CB 4.29Å; C265-C292 WeakPolarHBondContact CB-SG 3.37Å; T287-C292 PolarHBondContact OG1-N 2.96Å; D288-C292 PolarHBondContact O-N 3.26Å; D288-C292 PolarHBondContact O-SG 3.07Å; D288-C292 VanDerWaalsContact O-SG 3.36Å; E289-C292 WeakPolarHBondContact CA-SG 3.42Å |
| 293 | I | 95.4 | Very high | 96.8 | Very high | 36 Ų | 36 | 30.9 Ų | 30.9 | 19% | 0.185 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -81.4 | 140.4 | 175.2 | -50.4 | -53.5 | 0 | 0 | 0 | 109.2 | K13 R29 C265 N295 | K13-I293 HydrophobicContact CD-CG2 3.97Å; K13-I293 HydrophobicContact CG-CG2 3.84Å; R29-I293 PolarHBondContact NH1-O 3.39Å; C265-I293 HydrophobicContact CB-CD1 4.33Å; I293-N295 PolarHBondContact O-N 3.44Å; I293-N295 PolarHBondContact O-ND2 2.62Å |
| 294 | D | 98.4 | Very high | 96.8 | Very high | 6 Ų | 6 | 24.9 Ų | 24.9 | 3% | 0.032 | 12% | 0.118 | C | C | . | . | trans | -41.5 | 125.5 | 178.2 | -47.9 | -34.3 | 0 | 0 | 0 | 111.8 | E8 K13 R29 H109 H113 M298 | E8-D294 HydrophobicContact CG-CB 3.94Å; K13-D294 HydrophobicContact CB-CB 4.27Å; K13-D294 WeakPolarHBondContact CE-OD2 3.25Å; K13-D294 IonicContact NZ-OD2 3.84Å; K13-D294 PolarHBondContact NZ-OD2 3.49Å; K13-D294 VanDerWaalsContact NZ-OD2 3.14Å; R29-D294 WeakPolarHBondContact CD-O 3.46Å; H109-D294 IonicContact CE1-OD1 3.15Å; H109-D294 PolarHBondContact CE1-OD1 3.18Å; H109-D294 VanDerWaalsContact CE1-OD1 3.31Å; H109-D294 IonicContact NE2-OD1 2.75Å; H113-D294 IonicContact CE1-OD1 3.78Å; H113-D294 IonicContact NE2-OD1 3.76Å; H113-D294 PolarHBondContact NE2-OD1 3.4Å; D294-M298 HydrophobicContact CB-CE 4.34Å | ||
| 295 | N | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.118 | C | C | . | . | trans | -149.9 | 155.3 | -173.4 | 64.5 | 88.5 | 0 | 0 | 0 | 111.8 | E8 N27 F291 I293 A297 M298 | E8-N295 WeakPolarHBondContact CB-O 3.42Å; N27-N295 PolarHBondContact ND2-OD1 3.31Å; F291-N295 PolarHBondContact O-ND2 3.28Å; F291-N295 VanDerWaalsContact O-ND2 3.09Å; I293-N295 PolarHBondContact O-N 3.44Å; I293-N295 PolarHBondContact O-ND2 2.62Å; N295-A297 VanDerWaalsContact C-N 3.32Å; N295-A297 PolarHBondContact O-N 3.12Å; N295-A297 PolarHBondContact OD1-N 2.94Å; N295-M298 VanDerWaalsContact O-CG 3.27Å; N295-M298 WeakPolarHBondContact O-CG 3.45Å; N295-M298 PolarHBondContact O-N 3.13Å; N295-M298 PolarHBondContact OD1-N 3.14Å | ||
| 296 | G | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -69.3 | -30 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113 | N27 M298 I299 A300 | N27-G296 PolarHBondContact OD1-N 2.82Å; G296-M298 VanDerWaalsContact C-N 3.3Å; G296-M298 PolarHBondContact O-N 3.28Å; G296-I299 PolarHBondContact O-N 3.1Å; G296-A300 PolarHBondContact O-N 3.06Å |
| 297 | A | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -64.7 | -33.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V19 V24 N27 M116 N295 I299 A300 Q301 | V19-A297 HydrophobicContact CG2-CB 4.15Å; V24-A297 HydrophobicContact CG1-CB 3.85Å; V24-A297 HydrophobicContact CG2-CB 4.3Å; N27-A297 HydrophobicContact CB-CB 4.17Å; N27-A297 VanDerWaalsContact CG-CB 3.5Å; N27-A297 WeakPolarHBondContact OD1-CB 3.48Å; N27-A297 PolarHBondContact OD1-N 2.81Å; N27-A297 VanDerWaalsContact OD1-N 3.07Å; M116-A297 HydrophobicContact CE-CB 3.74Å; M116-A297 WeakPolarHBondContact CE-O 3.32Å; N295-A297 VanDerWaalsContact C-N 3.32Å; N295-A297 PolarHBondContact O-N 3.12Å; N295-A297 PolarHBondContact OD1-N 2.94Å; A297-I299 VanDerWaalsContact C-N 3.28Å; A297-I299 PolarHBondContact O-N 3.09Å; A297-A300 WeakPolarHBondContact O-CB 3.34Å; A297-A300 PolarHBondContact O-N 2.85Å; A297-Q301 PolarHBondContact O-N 3.45Å |
| 298 | M | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -65 | -35.5 | 177.9 | 89.4 | -165.1 | -179.5 | 0 | 0 | 112 | E8 H109 G112 H113 M116 D294 N295 G296 A302 | E8-M298 HydrophobicContact CG-CE 3.84Å; E8-M298 WeakPolarHBondContact OE2-CE 3.27Å; H109-M298 WeakPolarHBondContact CE1-CE 3.37Å; H109-M298 VanDerWaalsContact ND1-CE 3.33Å; H109-M298 WeakPolarHBondContact ND1-CE 3.47Å; G112-M298 WeakPolarHBondContact O-CB 3.28Å; H113-M298 VanDerWaalsContact CE1-SD 3.58Å; M116-M298 HydrophobicContact CB-CB 3.63Å; M116-M298 HydrophobicContact CE-CB 4.29Å; M116-M298 HydrophobicContact CG-CB 4.01Å; D294-M298 HydrophobicContact CB-CE 4.34Å; N295-M298 VanDerWaalsContact O-CG 3.27Å; N295-M298 WeakPolarHBondContact O-CG 3.45Å; N295-M298 PolarHBondContact O-N 3.13Å; N295-M298 PolarHBondContact OD1-N 3.14Å; G296-M298 VanDerWaalsContact C-N 3.3Å; G296-M298 PolarHBondContact O-N 3.28Å; M298-A302 PolarHBondContact O-N 3.45Å; M298-A302 VanDerWaalsContact O-N 3.12Å |
| 299 | I | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -72.8 | -37.4 | 174.4 | -59.9 | -56.7 | 0 | 0 | 0 | 110.6 | E8 A75 T77 V107 G296 A297 G303 | E8-I299 HydrophobicContact CB-CG1 3.82Å; E8-I299 HydrophobicContact CG-CG1 4.5Å; A75-I299 HydrophobicContact CB-CG2 3.98Å; A75-I299 WeakPolarHBondContact CB-O 3.26Å; T77-I299 WeakPolarHBondContact OG1-CD1 3.43Å; T77-I299 WeakPolarHBondContact OG1-CG1 3.42Å; V107-I299 HydrophobicContact CB-CD1 4.41Å; V107-I299 HydrophobicContact CB-CG2 4.09Å; V107-I299 HydrophobicContact CG1-CD1 3.99Å; V107-I299 HydrophobicContact CG1-CG2 4.47Å; V107-I299 HydrophobicContact CG2-CG2 4.11Å; G296-I299 PolarHBondContact O-N 3.1Å; A297-I299 VanDerWaalsContact C-N 3.28Å; A297-I299 PolarHBondContact O-N 3.09Å; I299-G303 WeakPolarHBondContact O-CA 3.48Å; I299-G303 PolarHBondContact O-N 2.89Å |
| 300 | A | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.2 | -42.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112 | V4 V19 G296 A297 G303 W304 | V4-A300 HydrophobicContact CB-CB 4.4Å; V4-A300 HydrophobicContact CG1-CB 4.24Å; V4-A300 WeakPolarHBondContact CG1-O 3.25Å; V19-A300 HydrophobicContact CB-CB 3.9Å; V19-A300 HydrophobicContact CG2-CB 3.73Å; G296-A300 PolarHBondContact O-N 3.06Å; A297-A300 WeakPolarHBondContact O-CB 3.34Å; A297-A300 PolarHBondContact O-N 2.85Å; A300-G303 CarbonylContact O-C 3.51Å; A300-G303 PolarHBondContact O-N 3.01Å; A300-W304 WeakPolarHBondContact O-CB 3.3Å; A300-W304 PolarHBondContact O-N 3Å |
| 301 | Q | 98.8 | Very high | 98.1 | Very high | 3 Ų | 3 | 19.2 Ų | 19.2 | 1% | 0.014 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -66 | -52.7 | 179.6 | 176.6 | 56.2 | 26.8 | 0 | 0 | 111.9 | E115 M116 L119 A297 G303 W304 E305 | E115-Q301 HydrophobicContact CB-CG 4.26Å; M116-Q301 HydrophobicContact CE-CB 3.8Å; L119-Q301 HydrophobicContact CB-CG 4.25Å; L119-Q301 HydrophobicContact CD2-CG 3.98Å; A297-Q301 PolarHBondContact O-N 3.45Å; Q301-G303 PolarHBondContact O-N 3.18Å; Q301-W304 WeakPolarHBondContact O-CB 3.43Å; Q301-W304 PolarHBondContact O-N 3.05Å; Q301-E305 PolarHBondContact NE2-OE1 2.79Å; Q301-E305 PolarHBondContact O-N 3.21Å; Q301-E305 VanDerWaalsContact O-N 3.09Å |
| 302 | A | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.7 | -35.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | V107 I111 E115 M298 W304 E305 M306 | V107-A302 HydrophobicContact CG1-CB 3.64Å; I111-A302 HydrophobicContact CG2-CB 4.31Å; E115-A302 HydrophobicContact CB-CB 4.15Å; E115-A302 HydrophobicContact CG-CB 4.16Å; M298-A302 PolarHBondContact O-N 3.45Å; M298-A302 VanDerWaalsContact O-N 3.12Å; A302-W304 VanDerWaalsContact C-N 3.32Å; A302-W304 PolarHBondContact O-N 3.11Å; A302-E305 PolarHBondContact O-N 3.46Å; A302-M306 WeakPolarHBondContact O-CB 3.49Å; A302-M306 WeakPolarHBondContact O-CG 3.36Å; A302-M306 PolarHBondContact O-N 3.3Å |
| 303 | G | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.7 | -36.2 | 172 | 0 | 0 | 0 | 0 | 0 | 113.4 | I299 A300 Q301 F307 | I299-G303 WeakPolarHBondContact O-CA 3.48Å; I299-G303 PolarHBondContact O-N 2.89Å; A300-G303 CarbonylContact O-C 3.51Å; A300-G303 PolarHBondContact O-N 3.01Å; Q301-G303 PolarHBondContact O-N 3.18Å; G303-F307 WeakPolarHBondContact O-CB 3.29Å; G303-F307 PolarHBondContact O-N 3.33Å |
| 304 | W | 98.7 | Very high | 98.6 | Very high | 30 Ų | 30 | 26.6 Ų | 26.6 | 11% | 0.114 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.8 | -46.6 | 175.5 | -179.6 | 96.5 | 0 | 0 | 0 | 111.6 | P2 V4 A300 Q301 A302 F307 Q308 | P2-W304 VanDerWaalsContact O-CD1 3.27Å; P2-W304 PolarHBondContact O-NE1 3.31Å; V4-W304 HydrophobicContact CB-CB 4.38Å; V4-W304 HydrophobicContact CG2-CB 3.78Å; V4-W304 HydrophobicContact CG2-CG 4.31Å; A300-W304 WeakPolarHBondContact O-CB 3.3Å; A300-W304 PolarHBondContact O-N 3Å; Q301-W304 WeakPolarHBondContact O-CB 3.43Å; Q301-W304 PolarHBondContact O-N 3.05Å; A302-W304 VanDerWaalsContact C-N 3.32Å; A302-W304 PolarHBondContact O-N 3.11Å; W304-F307 PolarHBondContact O-N 2.97Å; W304-Q308 WeakPolarHBondContact O-CB 3.18Å; W304-Q308 WeakPolarHBondContact O-CG 3.37Å; W304-Q308 PolarHBondContact O-N 3.25Å |
| 305 | E | 98.5 | Very high | 98.6 | Very high | 41 Ų | 41 | 30.3 Ų | 30.3 | 19% | 0.192 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59 | -52.9 | 175.5 | -64.3 | -63.1 | 171.7 | 0 | 0 | 111.3 | Q301 A302 F307 Q308 A309 W333 | Q301-E305 PolarHBondContact NE2-OE1 2.79Å; Q301-E305 PolarHBondContact O-N 3.21Å; Q301-E305 VanDerWaalsContact O-N 3.09Å; A302-E305 PolarHBondContact O-N 3.46Å; E305-F307 PolarHBondContact O-N 3.1Å; E305-Q308 PolarHBondContact O-N 3.33Å; E305-A309 WeakPolarHBondContact O-CB 3.44Å; E305-A309 PolarHBondContact O-N 3.15Å; E305-W333 HydrophobicContact CB-CB 4.19Å; E305-W333 HydrophobicContact CB-CD2 3.93Å; E305-W333 HydrophobicContact CB-CG 3.7Å; E305-W333 HydrophobicContact CG-CG 4.44Å |
| 306 | M | 98.7 | Very high | 98.6 | Very high | 7 Ų | 7 | 36.1 Ų | 36.1 | 3% | 0.034 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.4 | -46.5 | 178.3 | -72.7 | 177.3 | 77.2 | 0 | 0 | 111.7 | V105 V107 A302 Q308 A309 G310 H311 W333 | V105-M306 HydrophobicContact CG1-CB 3.92Å; V105-M306 HydrophobicContact CG1-CE 3.86Å; V105-M306 HydrophobicContact CG1-SD 3.95Å; V107-M306 HydrophobicContact CG2-SD 4.08Å; A302-M306 WeakPolarHBondContact O-CB 3.49Å; A302-M306 WeakPolarHBondContact O-CG 3.36Å; A302-M306 PolarHBondContact O-N 3.3Å; M306-Q308 PolarHBondContact O-N 3.34Å; M306-A309 CarbonylContact O-C 3.55Å; M306-A309 PolarHBondContact O-N 2.87Å; M306-G310 PolarHBondContact O-N 2.76Å; M306-H311 HydrophobicContact CB-CB 3.92Å; M306-H311 HydrophobicContact CE-CB 4.3Å; M306-H311 VanDerWaalsContact O-CB 3.28Å; M306-H311 WeakPolarHBondContact O-CB 3.33Å; M306-H311 PolarHBondContact O-CD2 2.91Å; M306-H311 PolarHBondContact O-N 3.44Å; M306-W333 HydrophobicContact CG-CE3 4.03Å; M306-W333 HydrophobicContact CG-CH2 3.88Å; M306-W333 HydrophobicContact CG-CZ3 3.49Å; M306-W333 VanDerWaalsContact CG-CZ3 3.49Å |
| 307 | F | 98.4 | Very high | 98.6 | Very high | 31 Ų | 31 | 40.6 Ų | 40.6 | 14% | 0.136 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.4 | -43.9 | -178.4 | 174.8 | -103.8 | 0 | 0 | 0 | 112.1 | P2 C73 P103 V105 G303 W304 E305 A309 G310 R312 | P2-F307 HydrophobicContact CB-CD1 4.03Å; P2-F307 HydrophobicContact CB-CE1 3.78Å; P2-F307 HydrophobicContact CG-CD1 4.13Å; P2-F307 HydrophobicContact CG-CE1 4.17Å; C73-F307 HydrophobicContact CB-CB 4.42Å; C73-F307 HydrophobicContact CB-CD1 4.29Å; C73-F307 HydrophobicContact CB-CD2 3.64Å; C73-F307 HydrophobicContact CB-CE2 3.89Å; C73-F307 HydrophobicContact CB-CG 3.86Å; C73-F307 HydrophobicContact CB-CZ 4.32Å; C73-F307 VanDerWaalsContact SG-CD2 3.51Å; P103-F307 HydrophobicContact CB-CE2 4.26Å; P103-F307 HydrophobicContact CG-CD2 4.33Å; P103-F307 HydrophobicContact CG-CE2 3.53Å; P103-F307 HydrophobicContact CG-CZ 4.28Å; V105-F307 HydrophobicContact CG2-CB 4.43Å; G303-F307 WeakPolarHBondContact O-CB 3.29Å; G303-F307 PolarHBondContact O-N 3.33Å; W304-F307 PolarHBondContact O-N 2.97Å; E305-F307 PolarHBondContact O-N 3.1Å; F307-A309 VanDerWaalsContact C-N 3.34Å; F307-G310 PolarHBondContact O-N 2.82Å; F307-G310 VanDerWaalsContact O-N 3.15Å; F307-R312 PolarHBondContact O-NH1 3.32Å |
| 308 | Q | 97.9 | Very high | 98.6 | Very high | 100 Ų | 100 | 40.6 Ų | 40.6 | 47% | 0.467 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -67.2 | -36 | 177.5 | -73.4 | -160.7 | 117 | 0 | 0 | 112.5 | P2 W304 E305 M306 G310 | P2-Q308 HydrophobicContact CG-CG 3.85Å; W304-Q308 WeakPolarHBondContact O-CB 3.18Å; W304-Q308 WeakPolarHBondContact O-CG 3.37Å; W304-Q308 PolarHBondContact O-N 3.25Å; E305-Q308 PolarHBondContact O-N 3.33Å; M306-Q308 PolarHBondContact O-N 3.34Å; Q308-G310 PolarHBondContact O-N 3.27Å |
| 309 | A | 98.2 | Very high | 98.6 | Very high | 38 Ų | 38 | 42.4 Ų | 42.4 | 31% | 0.314 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | 8.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114 | E305 M306 F307 T332 W333 | E305-A309 WeakPolarHBondContact O-CB 3.44Å; E305-A309 PolarHBondContact O-N 3.15Å; M306-A309 CarbonylContact O-C 3.55Å; M306-A309 PolarHBondContact O-N 2.87Å; F307-A309 VanDerWaalsContact C-N 3.34Å; A309-T332 WeakPolarHBondContact CB-OG1 3.44Å; A309-W333 HydrophobicContact CB-CB 3.84Å |
| 310 | G | 98.3 | Very high | 98.6 | Very high | 51 Ų | 51 | 44.1 Ų | 44.1 | 53% | 0.526 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.4 | 2.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | M306 F307 Q308 | M306-G310 PolarHBondContact O-N 2.76Å; F307-G310 PolarHBondContact O-N 2.82Å; F307-G310 VanDerWaalsContact O-N 3.15Å; Q308-G310 PolarHBondContact O-N 3.27Å |
| 311 | H | 98.6 | Very high | 98.5 | Very high | 44 Ų | 44 | 46.7 Ų | 46.7 | 20% | 0.204 | 27% | 0.274 | C | S | . | . | trans | -67.9 | 137.4 | 178 | -70 | -111.6 | 0 | 0 | 0 | 111.3 | M306 E330 T332 | M306-H311 HydrophobicContact CB-CB 3.92Å; M306-H311 HydrophobicContact CE-CB 4.3Å; M306-H311 VanDerWaalsContact O-CB 3.28Å; M306-H311 WeakPolarHBondContact O-CB 3.33Å; M306-H311 PolarHBondContact O-CD2 2.91Å; M306-H311 PolarHBondContact O-N 3.44Å; H311-E330 PolarHBondContact CE1-O 3.47Å; H311-E330 VanDerWaalsContact CE1-O 3.27Å; H311-T332 PolarHBondContact CD2-OG1 2.9Å; H311-T332 PolarHBondContact NE2-OG1 3.3Å | ||
| 312 | R | 98.5 | Very high | 98.5 | Very high | 118 Ų | 118 | 52.6 Ų | 52.6 | 45% | 0.445 | 30% | 0.302 | S | S | . | . | trans | -141.6 | 151.2 | 175 | -60.9 | -66.2 | -179 | -82.4 | -1 | 109.1 | F307 | F307-R312 PolarHBondContact O-NH1 3.32Š| ||
| 313 | T | 98.8 | Very high | 98.5 | Very high | 15 Ų | 15 | 63.2 Ų | 63.2 | 9% | 0.092 | 34% | 0.342 | C | S | . | . | trans | -121.2 | 99.4 | 176.2 | -53.7 | 0 | 0 | 0 | 0 | 109.3 | L104 G106 | L104-T313 PolarHBondContact O-N 3Å; G106-T313 PolarHBondContact N-OG1 2.9Å | ||
| 314 | P | 98.7 | Very high | 98.5 | Very high | 75 Ų | 75 | 65.3 Ų | 65.3 | 49% | 0.487 | 35% | 0.35 | S | S | . | . | trans | -54.6 | 148.5 | 173.1 | -24.4 | 34.2 | 0 | 0 | 0 | 111.3 | S316 D317 S318 | P314-S316 PolarHBondContact O-N 3.2Å; P314-S316 VanDerWaalsContact O-N 3.16Å; P314-D317 CarbonylContact O-C 3.59Å; P314-D317 PolarHBondContact O-N 3.13Å; P314-S318 PolarHBondContact O-N 2.79Å | ||
| 315 | L | 98.6 | Very high | 98.5 | Very high | 83 Ų | 83 | 68.1 Ų | 68.1 | 44% | 0.435 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -55.6 | -37.3 | -179.3 | -69.2 | 171.3 | 0 | 0 | 0 | 112.4 | R94 Q98 L104 D317 S318 | R94-L315 HydrophobicContact CB-CD2 4.02Å; R94-L315 HydrophobicContact CG-CD2 3.97Å; Q98-L315 HydrophobicContact CG-CD1 3.67Å; Q98-L315 HydrophobicContact CG-CD2 4.34Å; L104-L315 HydrophobicContact CD2-CD2 4.19Å; L315-D317 VanDerWaalsContact C-N 3.28Å; L315-D317 PolarHBondContact O-N 2.94Å; L315-S318 WeakPolarHBondContact O-CB 3.38Å; L315-S318 PolarHBondContact O-N 3.38Å; L315-S318 PolarHBondContact O-OG 2.97Å |
| 316 | S | 98.5 | Very high | 98.5 | Very high | 122 Ų | 122 | 66.2 Ų | 66.2 | 85% | 0.853 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -63.8 | -28.8 | 176.5 | 49.2 | 0 | 0 | 0 | 0 | 114 | P314 | P314-S316 PolarHBondContact O-N 3.2Å; P314-S316 VanDerWaalsContact O-N 3.16Å |
| 317 | D | 98.4 | Very high | 98.5 | Very high | 95 Ų | 95 | 68.1 Ų | 68.1 | 51% | 0.508 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -103.2 | 6.2 | 178 | -171.5 | 53.7 | 0 | 0 | 0 | 112.9 | K78 P314 L315 G319 | K78-D317 WeakPolarHBondContact CE-O 3.45Å; K78-D317 PolarHBondContact NZ-O 2.93Å; K78-D317 IonicContact NZ-OD2 2.78Å; K78-D317 PolarHBondContact NZ-OD2 3.26Å; K78-D317 VanDerWaalsContact NZ-OD2 3.13Å; P314-D317 CarbonylContact O-C 3.59Å; P314-D317 PolarHBondContact O-N 3.13Å; L315-D317 VanDerWaalsContact C-N 3.28Å; L315-D317 PolarHBondContact O-N 2.94Å; D317-G319 PolarHBondContact O-N 3.23Å; D317-G319 VanDerWaalsContact O-N 3.15Å |
| 318 | S | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 38% | 0.378 | C | S | . | . | trans | -80 | 10.6 | -177.8 | 71.5 | 0 | 0 | 0 | 0 | 113.9 | Y76 R94 P314 L315 V320 | Y76-S318 VanDerWaalsContact OH-CA 3.26Å; Y76-S318 WeakPolarHBondContact OH-CA 3.09Å; Y76-S318 WeakPolarHBondContact OH-CB 3.46Å; Y76-S318 PolarHBondContact OH-O 3.06Å; R94-S318 WeakPolarHBondContact CD-OG 3.48Å; R94-S318 VanDerWaalsContact CZ-OG 3.31Å; R94-S318 PolarHBondContact NE-OG 3.06Å; R94-S318 VanDerWaalsContact NH2-C 3.26Å; R94-S318 PolarHBondContact NH2-O 2.99Å; P314-S318 PolarHBondContact O-N 2.79Å; L315-S318 WeakPolarHBondContact O-CB 3.38Å; L315-S318 PolarHBondContact O-N 3.38Å; L315-S318 PolarHBondContact O-OG 2.97Å; S318-V320 PolarHBondContact O-N 2.88Å | ||
| 319 | G | 98.5 | Very high | 98.5 | Very high | 38 Ų | 38 | 67 Ų | 67 | 39% | 0.392 | 36% | 0.358 | S | S | . | . | trans | -51.8 | 137.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | K78 D317 | K78-G319 WeakPolarHBondContact CE-O 3.35Å; K78-G319 WeakPolarHBondContact CG-O 3.27Å; D317-G319 PolarHBondContact O-N 3.23Å; D317-G319 VanDerWaalsContact O-N 3.15Å | ||
| 320 | V | 98.8 | Very high | 98.5 | Very high | 36 Ų | 36 | 70.1 Ų | 70.1 | 22% | 0.218 | 37% | 0.366 | C | S | . | . | trans | -80.8 | 151 | 174.9 | -63.4 | 0 | 0 | 0 | 0 | 110.6 | Y76 K78 L86 V87 A90 S318 | Y76-V320 HydrophobicContact CE2-CG1 4.14Å; K78-V320 CarbonylContact O-C 3.48Å; K78-V320 VanDerWaalsContact O-CA 3.27Å; K78-V320 WeakPolarHBondContact O-CA 3.31Å; K78-V320 WeakPolarHBondContact O-CB 3.27Å; L86-V320 HydrophobicContact CB-CB 4.02Å; L86-V320 HydrophobicContact CB-CG1 4.1Å; L86-V320 HydrophobicContact CB-CG2 4.08Å; V87-V320 HydrophobicContact CG2-CG2 3.6Å; A90-V320 HydrophobicContact CB-CG1 3.51Å; S318-V320 PolarHBondContact O-N 2.88Å | ||
| 321 | T | 98.5 | Very high | 98.5 | Very high | 53 Ų | 53 | 67.7 Ų | 67.7 | 33% | 0.325 | 34% | 0.341 | S | S | . | . | trans | -131.1 | 118.3 | -178.4 | 49.2 | 0 | 0 | 0 | 0 | 109.7 | K78 G79 R323 Y324 | K78-T321 PolarHBondContact O-N 3.37Å; G79-T321 VanDerWaalsContact CA-O 3.29Å; G79-T321 WeakPolarHBondContact CA-O 3.23Å; T321-R323 PolarHBondContact O-N 3.43Å; T321-Y324 WeakPolarHBondContact OG1-CB 3.33Å | ||
| 322 | Q | 98.6 | Very high | 98.5 | Very high | 127 Ų | 127 | 68.3 Ų | 68.3 | 59% | 0.593 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -64.2 | -23.8 | 178.9 | -67.9 | -171.1 | 91.2 | 0 | 0 | 112.3 | P80 G81 G83 | P80-Q322 WeakPolarHBondContact CA-O 3.35Å; P80-Q322 VanDerWaalsContact CB-O 3.23Å; P80-Q322 WeakPolarHBondContact CB-O 3.3Å; G81-Q322 PolarHBondContact N-O 3.37Å; G81-Q322 WeakPolarHBondContact O-CA 3.23Å; G81-Q322 WeakPolarHBondContact O-CB 3.28Å; G81-Q322 WeakPolarHBondContact O-CG 3.27Å; G83-Q322 VanDerWaalsContact N-OE1 3.09Å |
| 323 | R | 98.4 | Very high | 98.5 | Very high | 223 Ų | 223 | 64.5 Ų | 64.5 | 84% | 0.842 | 33% | 0.333 | S | S | * | . | trans | -121.4 | 112 | 176.1 | -59.9 | 172.4 | -173.9 | 167.7 | -0.4 | 106.7 | T321 | T321-R323 PolarHBondContact O-N 3.43Š| ||
| 324 | Y | 98.7 | Very high | 98.3 | Very high | 44 Ų | 44 | 65.5 Ų | 65.5 | 17% | 0.173 | 34% | 0.335 | C | S | . | . | trans | -141.4 | 101 | 176.4 | -167.9 | -153.1 | 0 | 0 | 0 | 106.6 | K78 P80 N108 T321 E328 V329 | K78-Y324 HydrophobicContact CB-CD1 4.4Å; K78-Y324 HydrophobicContact CB-CE1 4.26Å; K78-Y324 HydrophobicContact CD-CE1 4.46Å; P80-Y324 WeakPolarHBondContact CD-O 3.41Å; N108-Y324 HydrophobicContact CB-CD1 3.76Å; N108-Y324 HydrophobicContact CB-CE1 3.62Å; N108-Y324 VanDerWaalsContact ND2-CD1 3.29Å; N108-Y324 WeakPolarHBondContact ND2-CD1 2.96Å; N108-Y324 PolarHBondContact ND2-O 2.85Å; T321-Y324 WeakPolarHBondContact OG1-CB 3.33Å; Y324-E328 HydrophobicContact CD2-CB 4.35Å; Y324-E328 WeakPolarHBondContact CD2-OE2 3.43Å; Y324-E328 HydrophobicContact CE2-CB 4.12Å; Y324-V329 HydrophobicContact CE1-CG2 4.15Å; Y324-V329 HydrophobicContact CE2-CG2 4.32Å | ||
| 325 | R | 98.6 | Very high | 97.9 | Very high | 90 Ų | 90 | 70.9 Ų | 70.9 | 34% | 0.34 | 36% | 0.36 | S | S | . | . | trans | -71.7 | 150.8 | -172.8 | -67.7 | -178.7 | 53.8 | 89 | -6 | 110.7 | N108 E151 D327 E328 | N108-R325 PolarHBondContact ND2-O 3.47Å; E151-R325 IonicContact OE1-CZ 3.69Å; E151-R325 IonicContact OE1-NH1 3.36Å; E151-R325 PolarHBondContact OE1-NH1 2.88Å; E151-R325 IonicContact OE1-NH2 3.3Å; E151-R325 PolarHBondContact OE1-NH2 3.06Å; E151-R325 IonicContact OE2-NH1 3.14Å; R325-D327 WeakPolarHBondContact CB-OD1 3.31Å; R325-D327 IonicContact CZ-OD1 3.52Å; R325-D327 IonicContact CZ-OD2 2.78Å; R325-D327 IonicContact NE-OD1 3.54Å; R325-D327 PolarHBondContact NE-OD1 3.28Å; R325-D327 IonicContact NE-OD2 3.53Å; R325-D327 PolarHBondContact NE-OD2 3.48Å; R325-D327 IonicContact NH2-OD1 3.84Å; R325-D327 IonicContact NH2-OD2 2.81Å; R325-D327 PolarHBondContact NH2-OD2 3.04Å; R325-D327 PolarHBondContact O-N 3.38Å; R325-E328 HydrophobicContact CB-CG 3.91Å; R325-E328 WeakPolarHBondContact CB-OE1 3.46Å; R325-E328 WeakPolarHBondContact CG-OE1 3.47Å; R325-E328 VanDerWaalsContact N-CD 3.31Å; R325-E328 PolarHBondContact N-OE2 3.11Å; R325-E328 WeakPolarHBondContact O-CB 3.4Å; R325-E328 PolarHBondContact O-N 3.03Å | ||
| 326 | T | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -60.5 | -35.8 | 178.7 | -46 | 0 | 0 | 0 | 0 | 111.5 | C110 I111 I114 Q137 I139 Y146 E328 | C110-T326 HydrophobicContact CB-CG2 4.06Å; C110-T326 WeakPolarHBondContact CB-OG1 3.08Å; I111-T326 HydrophobicContact CG1-CG2 4.09Å; I114-T326 HydrophobicContact CD1-CG2 4.05Å; Q137-T326 PolarHBondContact OE1-OG1 3.23Å; Q137-T326 VanDerWaalsContact OE1-OG1 3.05Å; I139-T326 HydrophobicContact CD1-CG2 4Å; I139-T326 HydrophobicContact CG2-CG2 4.44Å; Y146-T326 CarbonylContact O-C 3.58Å; T326-E328 VanDerWaalsContact C-N 3.31Å; T326-E328 PolarHBondContact O-N 3.48Å |
| 327 | D | 97.9 | Very high | 97.9 | Very high | 48 Ų | 48 | 67.6 Ų | 67.6 | 26% | 0.257 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -79.7 | -5.9 | -179.4 | 53.5 | 13.1 | 0 | 0 | 0 | 114.2 | R145 Y146 R325 | R145-D327 WeakPolarHBondContact CD-O 3.39Å; R145-D327 PolarHBondContact NH1-O 3.5Å; Y146-D327 VanDerWaalsContact O-CA 3.31Å; Y146-D327 WeakPolarHBondContact O-CA 3.13Å; Y146-D327 WeakPolarHBondContact O-CB 3.45Å; Y146-D327 PolarHBondContact O-N 3.44Å; R325-D327 WeakPolarHBondContact CB-OD1 3.31Å; R325-D327 IonicContact CZ-OD1 3.52Å; R325-D327 IonicContact CZ-OD2 2.78Å; R325-D327 IonicContact NE-OD1 3.54Å; R325-D327 PolarHBondContact NE-OD1 3.28Å; R325-D327 IonicContact NE-OD2 3.53Å; R325-D327 PolarHBondContact NE-OD2 3.48Å; R325-D327 IonicContact NH2-OD1 3.84Å; R325-D327 IonicContact NH2-OD2 2.81Å; R325-D327 PolarHBondContact NH2-OD2 3.04Å; R325-D327 PolarHBondContact O-N 3.38Å |
| 328 | E | 98.4 | Very high | 97.8 | Very high | 99 Ų | 99 | 66.1 Ų | 66.1 | 46% | 0.463 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -78.2 | -18 | 177.8 | -75 | 164.5 | -168.7 | 0 | 0 | 113.2 | R145 Y324 R325 T326 | R145-E328 PolarHBondContact NH1-O 3.14Å; Y324-E328 HydrophobicContact CD2-CB 4.35Å; Y324-E328 WeakPolarHBondContact CD2-OE2 3.43Å; Y324-E328 HydrophobicContact CE2-CB 4.12Å; R325-E328 HydrophobicContact CB-CG 3.91Å; R325-E328 WeakPolarHBondContact CB-OE1 3.46Å; R325-E328 WeakPolarHBondContact CG-OE1 3.47Å; R325-E328 VanDerWaalsContact N-CD 3.31Å; R325-E328 PolarHBondContact N-OE2 3.11Å; R325-E328 WeakPolarHBondContact O-CB 3.4Å; R325-E328 PolarHBondContact O-N 3.03Å; T326-E328 VanDerWaalsContact C-N 3.31Å; T326-E328 PolarHBondContact O-N 3.48Å |
| 329 | V | 98.3 | Very high | 97.8 | Very high | 7 Ų | 7 | 69.9 Ų | 69.9 | 4% | 0.042 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -89.7 | 132 | 179.8 | -173 | 0 | 0 | 0 | 0 | 111.5 | N108 I111 R145 Y324 W333 | N108-V329 HydrophobicContact CB-CG2 3.71Å; I111-V329 HydrophobicContact CD1-CB 3.41Å; I111-V329 VanDerWaalsContact CD1-CB 3.41Å; I111-V329 HydrophobicContact CD1-CG1 3.78Å; I111-V329 HydrophobicContact CD1-CG2 3.57Å; R145-V329 VanDerWaalsContact CD-O 3.25Å; R145-V329 WeakPolarHBondContact CD-O 3.5Å; R145-V329 PolarHBondContact NH1-O 3.42Å; Y324-V329 HydrophobicContact CE1-CG2 4.15Å; Y324-V329 HydrophobicContact CE2-CG2 4.32Å; V329-W333 HydrophobicContact CG1-CH2 4.29Å; V329-W333 HydrophobicContact CG1-CZ3 4.48Å |
| 330 | E | 98.4 | Very high | 97.8 | Very high | 104 Ų | 104 | 71.9 Ų | 71.9 | 49% | 0.486 | 34% | 0.336 | S | S | . | . | trans | -80.6 | 118.1 | 170.4 | -164.8 | 177.9 | -172.5 | 0 | 0 | 110.4 | H311 T332 | H311-E330 PolarHBondContact CE1-O 3.47Å; H311-E330 VanDerWaalsContact CE1-O 3.27Å; E330-T332 HydrophobicContact CB-CG2 4.38Å; E330-T332 HydrophobicContact CG-CG2 3.73Å; E330-T332 PolarHBondContact O-N 3.49Å | ||
| 331 | V | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 34% | 0.344 | C | S | . | . | trans | -92.4 | 73.3 | -173.7 | -174.4 | 0 | 0 | 0 | 0 | 109.2 | Y141 H144 Y146 W333 R334 | Y141-V331 HydrophobicContact CD2-CB 4.5Å; Y141-V331 HydrophobicContact CD2-CG1 4.13Å; Y141-V331 HydrophobicContact CE2-CB 3.95Å; Y141-V331 HydrophobicContact CE2-CG1 3.7Å; H144-V331 PolarHBondContact ND1-O 2.65Å; H144-V331 WeakPolarHBondContact O-CB 3.5Å; H144-V331 PolarHBondContact O-N 3.26Å; Y146-V331 HydrophobicContact CD2-CG2 3.65Å; Y146-V331 HydrophobicContact CE2-CG1 4.09Å; Y146-V331 HydrophobicContact CE2-CG2 4.03Å; Y146-V331 HydrophobicContact CG-CG2 4.43Å; V331-W333 VanDerWaalsContact C-N 3.27Å; V331-W333 HydrophobicContact CB-CH2 4.3Å; V331-W333 HydrophobicContact CB-CZ2 4.37Å; V331-W333 HydrophobicContact CB-CZ3 4.44Å; V331-W333 HydrophobicContact CG1-CD2 3.88Å; V331-W333 HydrophobicContact CG1-CE3 4.27Å; V331-W333 HydrophobicContact CG1-CG 4.45Å; V331-W333 HydrophobicContact CG1-CH2 4.05Å; V331-W333 HydrophobicContact CG1-CZ2 3.65Å; V331-W333 HydrophobicContact CG1-CZ3 4.34Å; V331-W333 HydrophobicContact CG2-CH2 4.18Å; V331-W333 HydrophobicContact CG2-CZ2 4.34Å; V331-W333 PolarHBondContact O-N 3.02Å; V331-R334 HydrophobicContact CG1-CB 4.07Å; V331-R334 HydrophobicContact CG1-CG 3.88Å | ||
| 332 | T | 98.3 | Very high | 97.6 | Very high | 57 Ų | 57 | 75.9 Ų | 75.9 | 35% | 0.35 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -2 | -175.8 | 66.1 | 0 | 0 | 0 | 0 | 114.3 | A309 H311 E330 R334 | A309-T332 WeakPolarHBondContact CB-OG1 3.44Å; H311-T332 PolarHBondContact CD2-OG1 2.9Å; H311-T332 PolarHBondContact NE2-OG1 3.3Å; E330-T332 HydrophobicContact CB-CG2 4.38Å; E330-T332 HydrophobicContact CG-CG2 3.73Å; E330-T332 PolarHBondContact O-N 3.49Å; T332-R334 VanDerWaalsContact C-N 3.34Å |
| 333 | W | 97.6 | Very high | 97.5 | Very high | 39 Ų | 39 | 71.9 Ų | 71.9 | 15% | 0.148 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | 2.8 | 176.2 | 62 | 94.4 | 0 | 0 | 0 | 113.1 | I111 E115 Y146 E305 M306 A309 V329 V331 | I111-W333 HydrophobicContact CG2-CH2 3.99Å; I111-W333 HydrophobicContact CG2-CZ2 3.73Å; E115-W333 VanDerWaalsContact CD-NE1 3.3Å; E115-W333 HydrophobicContact CG-CZ2 4.23Å; E115-W333 WeakPolarHBondContact OE1-CZ2 3.41Å; E115-W333 PolarHBondContact OE1-NE1 3.07Å; Y146-W333 HydrophobicContact CE2-CZ2 4.3Å; E305-W333 HydrophobicContact CB-CB 4.19Å; E305-W333 HydrophobicContact CB-CD2 3.93Å; E305-W333 HydrophobicContact CB-CG 3.7Å; E305-W333 HydrophobicContact CG-CG 4.44Å; M306-W333 HydrophobicContact CG-CE3 4.03Å; M306-W333 HydrophobicContact CG-CH2 3.88Å; M306-W333 HydrophobicContact CG-CZ3 3.49Å; M306-W333 VanDerWaalsContact CG-CZ3 3.49Å; A309-W333 HydrophobicContact CB-CB 3.84Å; V329-W333 HydrophobicContact CG1-CH2 4.29Å; V329-W333 HydrophobicContact CG1-CZ3 4.48Å; V331-W333 VanDerWaalsContact C-N 3.27Å; V331-W333 HydrophobicContact CB-CH2 4.3Å; V331-W333 HydrophobicContact CB-CZ2 4.37Å; V331-W333 HydrophobicContact CB-CZ3 4.44Å; V331-W333 HydrophobicContact CG1-CD2 3.88Å; V331-W333 HydrophobicContact CG1-CE3 4.27Å; V331-W333 HydrophobicContact CG1-CG 4.45Å; V331-W333 HydrophobicContact CG1-CH2 4.05Å; V331-W333 HydrophobicContact CG1-CZ2 3.65Å; V331-W333 HydrophobicContact CG1-CZ3 4.34Å; V331-W333 HydrophobicContact CG2-CH2 4.18Å; V331-W333 HydrophobicContact CG2-CZ2 4.34Å; V331-W333 PolarHBondContact O-N 3.02Å |
| 334 | R | 96.4 | Very high | 97.5 | Very high | 35 Ų | 35 | 59.3 Ų | 59.3 | 13% | 0.132 | 28% | 0.283 | C | S | . | . | trans | -128.5 | 145.4 | 177.4 | -62 | -173.8 | 63.7 | 160.6 | 5.1 | 109.6 | R118 T124 Y141 H144 Y146 V331 T332 | R118-R334 VanDerWaalsContact NH1-NH1 3.17Å; R118-R334 VanDerWaalsContact NH2-CZ 3.35Å; T124-R334 PolarHBondContact O-NH2 2.89Å; Y141-R334 HydrophobicContact CE1-CB 4.29Å; Y141-R334 HydrophobicContact CE2-CB 3.75Å; Y141-R334 HydrophobicContact CE2-CG 4.42Å; Y141-R334 PolarHBondContact OH-O 3.13Å; H144-R334 PolarHBondContact CE1-O 3.48Å; H144-R334 PolarHBondContact ND1-O 2.58Å; Y146-R334 PolarHBondContact OH-NH1 3.19Å; V331-R334 HydrophobicContact CG1-CB 4.07Å; V331-R334 HydrophobicContact CG1-CG 3.88Å; T332-R334 VanDerWaalsContact C-N 3.34Å | ||
| 335 | D | 90.2 | Very high | 97.4 | Very high | 189 Ų | 189 | 60.7 Ų | 60.7 | 100% | 1.011 | 29% | 0.293 | S | S | * | . | trans | -78.8 | 0 | 162.7 | -56.3 | -48.2 | 0 | 0 | 0 | 108.8 | Y141 | Y141-D335 VanDerWaalsContact CE1-O 3.22Å; Y141-D335 WeakPolarHBondContact CE1-O 3.48Å; Y141-D335 PolarHBondContact OH-O 2.68Å; Y141-D335 PolarHBondContact OH-OXT 2.86Å |
Retrieved 335 of 335 residues in 371.5 ms
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