| 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 | S | 93.2 | Very high | 98 | Very high | 110 Ų | 110 | 36.6 Ų | 36.6 | 77% | 0.769 | 21% | 0.205 | S | C | * | . | 0 | 158.3 | 0 | 40.9 | 0 | 0 | 0 | 0 | 107.5 | V102 | S1-V102 WeakPolarHBondContact CA-O 3.41Å; S1-V102 VanDerWaalsContact CB-O 3.29Å; S1-V102 WeakPolarHBondContact CB-O 3.49Å | |||
| 2 | H | 96.9 | Very high | 97.9 | Very high | 32 Ų | 32 | 35 Ų | 35 | 15% | 0.148 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 160.8 | 179.7 | -63.6 | -79 | 0 | 0 | 0 | 111.2 | D28 D101 V102 W106 L167 L171 | H2-D28 WeakPolarHBondContact CA-OD1 3.27Å; H2-D28 IonicContact CE1-OD2 3.31Å; H2-D28 IonicContact CG-OD2 2.72Å; H2-D28 IonicContact ND1-OD1 3.47Å; H2-D28 IonicContact ND1-OD2 2.77Å; H2-D28 PolarHBondContact ND1-OD2 2.94Å; H2-D101 CarbonylContact O-C 3.48Å; H2-D101 WeakPolarHBondContact O-CA 3.38Å; H2-V102 HydrophobicContact CB-CG2 3.99Å; H2-V102 PolarHBondContact N-O 3.23Å; H2-V102 PolarHBondContact O-N 2.95Å; H2-W106 AromaticContact CD2-CH2 3.98Å; H2-W106 AromaticContact CD2-CZ3 3.92Å; H2-L167 HydrophobicContact CB-CD1 4.5Å; H2-L171 HydrophobicContact CB-CD1 3.42Å; H2-L171 VanDerWaalsContact CB-CD1 3.42Å; H2-L171 HydrophobicContact CB-CD2 4.33Å |
| 3 | S | 98 | Very high | 97.8 | Very high | 23 Ų | 23 | 37.5 Ų | 37.5 | 16% | 0.161 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 150.3 | 179.6 | 66 | 0 | 0 | 0 | 0 | 112 | V27 D28 C100 D101 | S3-V27 CarbonylContact O-C 3.58Å; S3-V27 VanDerWaalsContact O-CA 3.32Å; S3-V27 WeakPolarHBondContact O-CA 3.36Å; S3-D28 PolarHBondContact N-OD1 2.94Å; S3-D28 PolarHBondContact O-N 3.46Å; S3-D28 PolarHBondContact OG-OD1 3.32Å; S3-C100 WeakPolarHBondContact CA-O 3.28Å; S3-D101 WeakPolarHBondContact CB-OD1 3.27Å |
| 4 | M | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 122.8 | 166.3 | -173 | 172 | 57.2 | 0 | 0 | 108.5 | Y6 Y26 V27 F32 G99 C100 C163 W166 L167 Y170 | M4-Y6 HydrophobicContact CE-CE2 4.1Å; M4-Y6 HydrophobicContact CG-CE2 3.99Å; M4-Y6 HydrophobicContact SD-CE2 3.88Å; M4-Y26 CarbonylContact C-O 3.57Å; M4-Y26 WeakPolarHBondContact CA-O 3.33Å; M4-V27 HydrophobicContact CG-CG2 4.45Å; M4-F32 HydrophobicContact CG-CE1 4.44Å; M4-F32 HydrophobicContact SD-CZ 4.37Å; M4-G99 CarbonylContact O-C 3.58Å; M4-G99 WeakPolarHBondContact O-CA 3.46Å; M4-C100 PolarHBondContact N-O 2.7Å; M4-C100 PolarHBondContact O-N 2.68Å; M4-C163 HydrophobicContact CE-CB 4.16Å; M4-C163 VanDerWaalsContact CE-O 3.25Å; M4-C163 WeakPolarHBondContact CE-O 3.46Å; M4-C163 WeakPolarHBondContact CE-SG 3.16Å; M4-W166 HydrophobicContact CE-CB 4.01Å; M4-W166 HydrophobicContact SD-CB 4.31Å; M4-L167 HydrophobicContact CB-CB 4.13Å; M4-L167 HydrophobicContact CB-CD1 3.99Å; M4-L167 HydrophobicContact CB-CD2 4.18Å; M4-L167 HydrophobicContact CB-CG 4.32Å; M4-Y170 HydrophobicContact SD-CD2 3.78Å; M4-Y170 HydrophobicContact SD-CE2 3.5Å; M4-Y170 VanDerWaalsContact SD-CE2 3.5Å |
| 5 | R | 98.7 | Very high | 97 | Very high | 46 Ų | 46 | 42.1 Ų | 42.1 | 17% | 0.174 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 135.7 | -177.8 | -55.7 | -62.4 | 179.9 | 76.7 | 5.8 | 111 | F7 G25 Y26 D101 Y112 | R5-F7 HydrophobicContact CB-CD2 4.47Å; R5-F7 HydrophobicContact CB-CE2 3.62Å; R5-F7 HydrophobicContact CB-CZ 3.97Å; R5-G25 CarbonylContact O-C 3.59Å; R5-G25 WeakPolarHBondContact O-CA 3.41Å; R5-Y26 PolarHBondContact N-O 2.9Å; R5-Y26 PolarHBondContact O-N 3.48Å; R5-D101 IonicContact CZ-OD1 3.69Å; R5-D101 IonicContact NE-OD1 2.7Å; R5-D101 PolarHBondContact NE-OD1 3.17Å; R5-D101 IonicContact NH2-OD1 3.04Å; R5-D101 PolarHBondContact NH2-OD1 2.94Å; R5-D101 IonicContact NH2-OD2 3.57Å; R5-D101 PolarHBondContact NH2-OD2 3.41Å; R5-Y112 VanDerWaalsContact CZ-CE2 3.42Å; R5-Y112 VanDerWaalsContact NH2-CZ 3.26Å; R5-Y112 PolarHBondContact NH2-OH 3.19Å |
| 6 | Y | 98.8 | Very high | 96.7 | Very high | 8 Ų | 8 | 52.9 Ų | 52.9 | 3% | 0.031 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 137.3 | 170.8 | -68.3 | -89.3 | 0 | 0 | 0 | 109.9 | M4 F8 V24 F32 V33 M97 Y98 | M4-Y6 HydrophobicContact CE-CE2 4.1Å; M4-Y6 HydrophobicContact CG-CE2 3.99Å; M4-Y6 HydrophobicContact SD-CE2 3.88Å; Y6-F8 HydrophobicContact CD1-CE1 4.28Å; Y6-F8 HydrophobicContact CG-CE1 4.46Å; Y6-V24 CarbonylContact C-O 3.58Å; Y6-V24 WeakPolarHBondContact CA-O 3.38Å; Y6-F32 AromaticContact CE1-CZ 3.86Å; Y6-F32 HydrophobicContact CE1-CZ 3.86Å; Y6-F32 AromaticContact CZ-CZ 3.69Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.36Å; Y6-V33 HydrophobicContact CE1-CG2 3.95Å; Y6-M97 WeakPolarHBondContact O-CA 3.37Å; Y6-Y98 HydrophobicContact CD2-CD2 4.43Å; Y6-Y98 AromaticContact CD2-CE2 3.65Å; Y6-Y98 HydrophobicContact CD2-CE2 3.65Å; Y6-Y98 AromaticContact CD2-CZ 3.7Å; Y6-Y98 HydrophobicContact CE2-CE2 4.39Å; Y6-Y98 HydrophobicContact CG-CE1 4.24Å; Y6-Y98 HydrophobicContact CG-CE2 4.19Å; Y6-Y98 AromaticContact CG-CZ 3.76Å; Y6-Y98 PolarHBondContact N-O 3.23Å; Y6-Y98 PolarHBondContact O-N 3.42Å; Y6-Y98 VanDerWaalsContact O-N 3.1Å |
| 7 | F | 98.8 | Very high | 96.4 | Very high | 85 Ų | 85 | 53.3 Ų | 53.3 | 37% | 0.373 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 118.2 | 179 | -57 | -97 | 0 | 0 | 0 | 109.4 | R5 A23 V24 Y26 K96 M97 | R5-F7 HydrophobicContact CB-CD2 4.47Å; R5-F7 HydrophobicContact CB-CE2 3.62Å; R5-F7 HydrophobicContact CB-CZ 3.97Å; F7-A23 WeakPolarHBondContact O-CA 3.41Å; F7-V24 HydrophobicContact CB-CG2 3.84Å; F7-V24 HydrophobicContact CD2-CG2 4.32Å; F7-V24 PolarHBondContact N-O 3.08Å; F7-V24 PolarHBondContact O-N 3.22Å; F7-Y26 HydrophobicContact CD2-CD2 4.16Å; F7-Y26 HydrophobicContact CE2-CD2 4.18Å; F7-K96 CarbonylContact C-O 3.52Å; F7-K96 WeakPolarHBondContact CA-O 3.27Å; F7-M97 HydrophobicContact CD1-CB 3.94Å; F7-M97 HydrophobicContact CD1-CG 3.62Å; F7-M97 HydrophobicContact CE1-CB 4.11Å; F7-M97 HydrophobicContact CE1-CG 3.36Å; F7-M97 HydrophobicContact CG-CG 4.41Å; F7-M97 HydrophobicContact CZ-CG 3.97Å |
| 8 | F | 98.8 | Very high | 96.3 | Very high | 5 Ų | 5 | 55.5 Ų | 55.5 | 2% | 0.022 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 133 | 178.1 | -56.3 | -15.4 | 0 | 0 | 0 | 109.2 | Y6 F21 I22 A23 H69 Q95 K96 Y98 | Y6-F8 HydrophobicContact CD1-CE1 4.28Å; Y6-F8 HydrophobicContact CG-CE1 4.46Å; F8-F21 HydrophobicContact CB-CE2 3.87Å; F8-F21 HydrophobicContact CB-CZ 3.73Å; F8-F21 HydrophobicContact CD1-CZ 4.38Å; F8-F21 AromaticContact CD2-CZ 3.92Å; F8-F21 HydrophobicContact CD2-CZ 3.92Å; F8-F21 HydrophobicContact CG-CE2 4.38Å; F8-F21 AromaticContact CG-CZ 3.77Å; F8-F21 HydrophobicContact CG-CZ 3.77Å; F8-I22 CarbonylContact C-O 3.58Å; F8-I22 WeakPolarHBondContact CA-O 3.47Å; F8-A23 HydrophobicContact CD1-CB 3.24Å; F8-A23 HydrophobicContact CE1-CB 3.47Å; F8-A23 VanDerWaalsContact CE1-CB 3.47Å; F8-A23 HydrophobicContact CG-CB 4.13Å; F8-A23 HydrophobicContact CZ-CB 4.46Å; F8-H69 HydrophobicContact CD2-CB 4.13Å; F8-H69 AromaticContact CD2-CD2 3.85Å; F8-H69 HydrophobicContact CE2-CB 3.94Å; F8-H69 AromaticContact CE2-CD2 3.44Å; F8-H69 VanDerWaalsContact CE2-CD2 3.44Å; F8-H69 WeakPolarHBondContact CE2-CD2 3.46Å; F8-H69 AromaticContact CE2-CG 3.57Å; F8-H69 AromaticContact CE2-NE2 3.86Å; F8-Q95 CarbonylContact O-C 3.57Å; F8-Q95 VanDerWaalsContact O-CA 3.27Å; F8-Q95 WeakPolarHBondContact O-CA 3.42Å; F8-K96 HydrophobicContact CB-CB 4.27Å; F8-K96 HydrophobicContact CD2-CD 3.98Å; F8-K96 PolarHBondContact N-O 2.84Å; F8-K96 PolarHBondContact O-N 3.31Å; F8-Y98 HydrophobicContact CD2-CE1 4.23Å; F8-Y98 HydrophobicContact CE1-CE1 4.18Å; F8-Y98 AromaticContact CE2-CE1 3.54Å; F8-Y98 HydrophobicContact CE2-CE1 3.54Å; F8-Y98 AromaticContact CZ-CE1 3.52Å; F8-Y98 HydrophobicContact CZ-CE1 3.52Å; F8-Y98 AromaticContact CZ-CZ 3.89Å; F8-Y98 WeakPolarHBondContact CZ-OH 3.39Å |
| 9 | T | 98.8 | Very high | 96.3 | Very high | 44 Ų | 44 | 53.7 Ų | 53.7 | 27% | 0.27 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 126.4 | 177.4 | -56.8 | 0 | 0 | 0 | 0 | 109 | V11 F21 I22 T93 V94 Q95 | T9-V11 HydrophobicContact CG2-CG2 4.12Å; T9-F21 WeakPolarHBondContact O-CA 3.46Å; T9-I22 PolarHBondContact N-O 3.47Å; T9-I22 PolarHBondContact O-N 3.44Å; T9-T93 HydrophobicContact CG2-CG2 3.92Å; T9-V94 WeakPolarHBondContact CA-O 3.26Å; T9-Q95 HydrophobicContact CG2-CG 3.98Å |
| 10 | S | 98.6 | Very high | 96.4 | Very high | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.007 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 126.9 | 174 | -165.3 | 0 | 0 | 0 | 0 | 109.6 | R20 L77 T93 V94 | S10-R20 CarbonylContact C-O 3.6Å; S10-R20 VanDerWaalsContact CA-O 3.27Å; S10-R20 WeakPolarHBondContact CA-O 3.49Å; S10-L77 VanDerWaalsContact OG-CD1 3.29Å; S10-L77 WeakPolarHBondContact OG-CD1 3.35Å; S10-T93 CarbonylContact O-C 3.55Å; S10-T93 VanDerWaalsContact O-CA 3.31Å; S10-T93 WeakPolarHBondContact O-CA 3.18Å; S10-V94 PolarHBondContact N-O 2.62Å; S10-V94 PolarHBondContact O-N 2.92Å |
| 11 | V | 98.4 | Very high | 96.5 | Very high | 49 Ų | 49 | 53 Ų | 53 | 30% | 0.297 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 116.8 | -179.7 | -175.4 | 0 | 0 | 0 | 0 | 108.9 | T9 P19 R20 H92 T93 | T9-V11 HydrophobicContact CG2-CG2 4.12Å; V11-P19 CarbonylContact O-C 3.59Å; V11-P19 WeakPolarHBondContact O-CA 3.27Å; V11-P19 WeakPolarHBondContact O-CB 3.49Å; V11-R20 PolarHBondContact N-O 3.09Å; V11-R20 PolarHBondContact O-N 2.93Å; V11-H92 WeakPolarHBondContact CA-O 3.4Å; V11-T93 HydrophobicContact CG2-CG2 4.18Å |
| 12 | S | 97.6 | Very high | 96.8 | Very high | 17 Ų | 17 | 49.7 Ų | 49.7 | 12% | 0.119 | 27% | 0.271 | C | S | . | . | trans | -69.4 | 145.5 | 176.3 | 72 | 0 | 0 | 0 | 0 | 111 | S91 H92 | S12-S91 PolarHBondContact O-OG 3.42Å; S12-H92 PolarHBondContact N-O 2.93Å; S12-H92 PolarHBondContact OG-N 2.85Å; S12-H92 PolarHBondContact OG-O 3.34Å | ||
| 13 | R | 96.3 | Very high | 96.9 | Very high | 68 Ų | 68 | 48.2 Ų | 48.2 | 26% | 0.257 | 27% | 0.265 | S | S | . | . | trans | -130.3 | 72.1 | -175.6 | -60.6 | -175.8 | -76.8 | -161.9 | -10.5 | 110.9 | G15 R16 E18 D38 | R13-G15 PolarHBondContact O-N 3.42Å; R13-R16 HydrophobicContact CB-CB 4.06Å; R13-R16 PolarHBondContact O-N 2.86Å; R13-E18 PolarHBondContact NE-O 2.89Å; R13-E18 PolarHBondContact NH2-O 3.31Å; R13-D38 IonicContact CZ-OD1 2.96Å; R13-D38 IonicContact CZ-OD2 3.69Å; R13-D38 IonicContact NH1-OD1 3.29Å; R13-D38 PolarHBondContact NH1-OD1 2.9Å; R13-D38 IonicContact NH1-OD2 2.7Å; R13-D38 PolarHBondContact NH1-OD2 3.48Å; R13-D38 IonicContact NH2-OD1 3.24Å; R13-D38 PolarHBondContact NH2-OD1 2.91Å; R13-D38 IonicContact NH2-OD2 3.7Å | ||
| 14 | P | 92.3 | Very high | 96.9 | Very high | 53 Ų | 53 | 48.2 Ų | 48.2 | 34% | 0.344 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.9 | 126.8 | -178.2 | -26.4 | 34 | 0 | 0 | 0 | 112.1 | R16 E88 G90 | P14-R16 PolarHBondContact O-N 3.29Å; P14-E88 WeakPolarHBondContact CB-O 3.22Å; P14-E88 WeakPolarHBondContact CG-O 3.11Å; P14-G90 WeakPolarHBondContact CG-O 3.32Å |
| 15 | G | 90.5 | Very high | 96.9 | Very high | 91 Ų | 91 | 48.2 Ų | 48.2 | 94% | 0.938 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71 | 5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | R13 | R13-G15 PolarHBondContact O-N 3.42Š|
| 16 | R | 92.8 | Very high | 96.9 | Very high | 214 Ų | 214 | 49.4 Ų | 49.4 | 81% | 0.808 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -127 | 25.9 | -178.5 | -58.6 | -178.1 | -178.4 | -176 | 0.4 | 113.2 | R13 P14 | R13-R16 HydrophobicContact CB-CB 4.06Å; R13-R16 PolarHBondContact O-N 2.86Å; P14-R16 PolarHBondContact O-N 3.29Å |
| 17 | G | 92 | Very high | 96.9 | Very high | 60 Ų | 60 | 49 Ų | 49 | 62% | 0.619 | 27% | 0.267 | S | S | * | . | S | Bend | trans | 93.2 | -157.4 | 177 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 18 | E | 94.3 | Very high | 96.8 | Very high | 93 Ų | 93 | 46.3 Ų | 46.3 | 44% | 0.435 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -68.4 | 153.7 | -177.2 | -66.9 | -63.1 | 165.2 | 0 | 0 | 112.3 | R13 R20 R74 | R13-E18 PolarHBondContact NE-O 2.89Å; R13-E18 PolarHBondContact NH2-O 3.31Å; E18-R20 PolarHBondContact O-N 2.98Å; E18-R74 IonicContact OE1-CZ 3.69Å; E18-R74 IonicContact OE1-NH1 3.65Å; E18-R74 PolarHBondContact OE1-NH1 3.42Å; E18-R74 IonicContact OE1-NH2 2.71Å; E18-R74 PolarHBondContact OE1-NH2 2.77Å; E18-R74 WeakPolarHBondContact OE2-CD 3.42Å; E18-R74 IonicContact OE2-CZ 2.69Å; E18-R74 IonicContact OE2-NE 3.36Å; E18-R74 PolarHBondContact OE2-NE 2.87Å; E18-R74 IonicContact OE2-NH1 3.01Å; E18-R74 PolarHBondContact OE2-NH1 3.5Å; E18-R74 IonicContact OE2-NH2 3.2Å; E18-R74 PolarHBondContact OE2-NH2 3.41Å |
| 19 | P | 96.9 | Very high | 96.6 | Very high | 22 Ų | 22 | 49.2 Ų | 49.2 | 14% | 0.143 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -52.9 | 139 | 171.9 | -25.2 | 34.9 | 0 | 0 | 0 | 112 | V11 R74 L77 | V11-P19 CarbonylContact O-C 3.59Å; V11-P19 WeakPolarHBondContact O-CA 3.27Å; V11-P19 WeakPolarHBondContact O-CB 3.49Å; P19-R74 HydrophobicContact CG-CG 4.33Å; P19-L77 HydrophobicContact CB-CD1 3.58Å; P19-L77 HydrophobicContact CG-CD1 3.65Å |
| 20 | R | 98.1 | Very high | 96.5 | Very high | 92 Ų | 92 | 48.2 Ų | 48.2 | 35% | 0.347 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 127.1 | 171.8 | -171.8 | 175.8 | 178.5 | -175.6 | -1.5 | 108.3 | S10 V11 E18 I22 D36 D38 | S10-R20 CarbonylContact C-O 3.6Å; S10-R20 VanDerWaalsContact CA-O 3.27Å; S10-R20 WeakPolarHBondContact CA-O 3.49Å; V11-R20 PolarHBondContact N-O 3.09Å; V11-R20 PolarHBondContact O-N 2.93Å; E18-R20 PolarHBondContact O-N 2.98Å; R20-I22 HydrophobicContact CG-CG1 4.38Å; R20-D36 IonicContact CZ-OD1 3.57Å; R20-D36 IonicContact CZ-OD2 3.78Å; R20-D36 IonicContact NE-OD1 2.72Å; R20-D36 PolarHBondContact NE-OD1 3.44Å; R20-D36 VanDerWaalsContact NE-OD1 3.13Å; R20-D36 IonicContact NE-OD2 3.13Å; R20-D36 IonicContact NH2-OD1 3.64Å; R20-D36 IonicContact NH2-OD2 3.55Å; R20-D36 PolarHBondContact NH2-OD2 2.87Å; R20-D38 VanDerWaalsContact CD-OD2 3.29Å; R20-D38 WeakPolarHBondContact CD-OD2 3.27Å; R20-D38 IonicContact NE-OD2 3.15Å |
| 21 | F | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 124 | 176.8 | -177.8 | -90.9 | 0 | 0 | 0 | 110.4 | F8 T9 A23 F35 S37 V66 H69 S70 H73 | F8-F21 HydrophobicContact CB-CE2 3.87Å; F8-F21 HydrophobicContact CB-CZ 3.73Å; F8-F21 HydrophobicContact CD1-CZ 4.38Å; F8-F21 AromaticContact CD2-CZ 3.92Å; F8-F21 HydrophobicContact CD2-CZ 3.92Å; F8-F21 HydrophobicContact CG-CE2 4.38Å; F8-F21 AromaticContact CG-CZ 3.77Å; F8-F21 HydrophobicContact CG-CZ 3.77Å; T9-F21 WeakPolarHBondContact O-CA 3.46Å; F21-A23 HydrophobicContact CE1-CB 3.76Å; F21-A23 HydrophobicContact CZ-CB 4.24Å; F21-F35 AromaticContact CD1-CD1 3.83Å; F21-F35 HydrophobicContact CD1-CD1 3.83Å; F21-F35 AromaticContact CD1-CE1 3.88Å; F21-F35 HydrophobicContact CD1-CE1 3.88Å; F21-F35 HydrophobicContact CE1-CD1 4.22Å; F21-S37 PolarHBondContact N-OG 3.3Å; F21-S37 PolarHBondContact O-N 3.39Å; F21-S37 PolarHBondContact O-OG 2.85Å; F21-V66 HydrophobicContact CE1-CG2 3.69Å; F21-V66 HydrophobicContact CZ-CG2 4.49Å; F21-H69 HydrophobicContact CZ-CB 4.05Å; F21-S70 WeakPolarHBondContact CB-OG 3.49Å; F21-H73 HydrophobicContact CD2-CB 4.06Å; F21-H73 HydrophobicContact CE2-CB 4.05Å; F21-H73 AromaticContact CE2-CD2 3.92Å; F21-H73 AromaticContact CE2-CG 3.67Å; F21-H73 AromaticContact CE2-ND1 3.77Å |
| 22 | I | 98.8 | Very high | 96.4 | Very high | 41 Ų | 41 | 48.2 Ų | 48.2 | 21% | 0.21 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 132.5 | 175.4 | -61.1 | 169 | 0 | 0 | 0 | 107.9 | F8 T9 R20 V24 F35 | F8-I22 CarbonylContact C-O 3.58Å; F8-I22 WeakPolarHBondContact CA-O 3.47Å; T9-I22 PolarHBondContact N-O 3.47Å; T9-I22 PolarHBondContact O-N 3.44Å; R20-I22 HydrophobicContact CG-CG1 4.38Å; I22-V24 HydrophobicContact CG2-CG1 4.35Å; I22-F35 WeakPolarHBondContact CA-O 3.34Å |
| 23 | A | 98.8 | Very high | 96.4 | Very high | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.008 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 137.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | F7 F8 F21 R34 F35 V66 | F7-A23 WeakPolarHBondContact O-CA 3.41Å; F8-A23 HydrophobicContact CD1-CB 3.24Å; F8-A23 HydrophobicContact CE1-CB 3.47Å; F8-A23 VanDerWaalsContact CE1-CB 3.47Å; F8-A23 HydrophobicContact CG-CB 4.13Å; F8-A23 HydrophobicContact CZ-CB 4.46Å; F21-A23 HydrophobicContact CE1-CB 3.76Å; F21-A23 HydrophobicContact CZ-CB 4.24Å; A23-R34 CarbonylContact O-C 3.55Å; A23-R34 VanDerWaalsContact O-CA 3.32Å; A23-R34 WeakPolarHBondContact O-CA 3.35Å; A23-F35 HydrophobicContact CB-CB 4.24Å; A23-F35 PolarHBondContact N-O 3.48Å; A23-F35 PolarHBondContact O-N 3.49Å; A23-V66 HydrophobicContact CB-CG2 3.61Å |
| 24 | V | 98.8 | Very high | 96.5 | Very high | 23 Ų | 23 | 47.5 Ų | 47.5 | 14% | 0.139 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 144.7 | 174.8 | -62.7 | 0 | 0 | 0 | 0 | 109.9 | Y6 F7 I22 Y26 Q31 V33 R34 | Y6-V24 CarbonylContact C-O 3.58Å; Y6-V24 WeakPolarHBondContact CA-O 3.38Å; F7-V24 HydrophobicContact CB-CG2 3.84Å; F7-V24 HydrophobicContact CD2-CG2 4.32Å; F7-V24 PolarHBondContact N-O 3.08Å; F7-V24 PolarHBondContact O-N 3.22Å; I22-V24 HydrophobicContact CG2-CG1 4.35Å; V24-Y26 HydrophobicContact CB-CE2 4.06Å; V24-Y26 HydrophobicContact CG2-CD2 4.35Å; V24-Y26 HydrophobicContact CG2-CE2 3.78Å; V24-Q31 VanDerWaalsContact CG1-NE2 3.25Å; V24-V33 WeakPolarHBondContact CA-O 3.3Å; V24-R34 HydrophobicContact CG1-CB 4.49Å; V24-R34 HydrophobicContact CG1-CG 4.21Å |
| 25 | G | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 138.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | R5 Q31 F32 V33 | R5-G25 CarbonylContact O-C 3.59Å; R5-G25 WeakPolarHBondContact O-CA 3.41Å; G25-Q31 WeakPolarHBondContact O-CA 3.43Å; G25-Q31 WeakPolarHBondContact O-CG 3.32Å; G25-F32 WeakPolarHBondContact O-CD1 3.44Å; G25-F32 PolarHBondContact O-N 3.41Å; G25-V33 PolarHBondContact N-O 3.36Å; G25-V33 VanDerWaalsContact N-O 3.08Å; G25-V33 PolarHBondContact O-N 2.88Å |
| 26 | Y | 98.6 | Very high | 97.2 | Very high | 70 Ų | 70 | 41.8 Ų | 41.8 | 28% | 0.275 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 141.1 | 178.3 | -74.2 | -102 | 0 | 0 | 0 | 110.6 | M4 R5 F7 V24 T30 Q31 | M4-Y26 CarbonylContact C-O 3.57Å; M4-Y26 WeakPolarHBondContact CA-O 3.33Å; R5-Y26 PolarHBondContact N-O 2.9Å; R5-Y26 PolarHBondContact O-N 3.48Å; F7-Y26 HydrophobicContact CD2-CD2 4.16Å; F7-Y26 HydrophobicContact CE2-CD2 4.18Å; V24-Y26 HydrophobicContact CB-CE2 4.06Å; V24-Y26 HydrophobicContact CG2-CD2 4.35Å; V24-Y26 HydrophobicContact CG2-CE2 3.78Å; Y26-T30 WeakPolarHBondContact CA-O 3.32Å; Y26-T30 VanDerWaalsContact CD1-C 3.46Å; Y26-Q31 HydrophobicContact CD1-CB 3.98Å; Y26-Q31 VanDerWaalsContact CD1-N 3.29Å; Y26-Q31 HydrophobicContact CD2-CG 4.41Å; Y26-Q31 HydrophobicContact CE1-CB 3.49Å; Y26-Q31 VanDerWaalsContact CE1-CB 3.49Å; Y26-Q31 HydrophobicContact CE1-CG 4.2Å; Y26-Q31 HydrophobicContact CE2-CB 4.15Å; Y26-Q31 HydrophobicContact CE2-CG 3.92Å; Y26-Q31 HydrophobicContact CG-CB 4.49Å |
| 27 | V | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 119.2 | 156.9 | 176.5 | 0 | 0 | 0 | 0 | 106 | S3 M4 D29 T30 F32 W50 L167 Y170 L171 L178 | S3-V27 CarbonylContact O-C 3.58Å; S3-V27 VanDerWaalsContact O-CA 3.32Å; S3-V27 WeakPolarHBondContact O-CA 3.36Å; M4-V27 HydrophobicContact CG-CG2 4.45Å; V27-D29 PolarHBondContact O-N 3.34Å; V27-T30 PolarHBondContact N-O 2.65Å; V27-T30 PolarHBondContact O-N 3.32Å; V27-F32 HydrophobicContact CG2-CD1 3.98Å; V27-F32 HydrophobicContact CG2-CE1 4.03Å; V27-W50 HydrophobicContact CB-CH2 4.47Å; V27-W50 HydrophobicContact CG2-CH2 3.97Å; V27-L167 HydrophobicContact CG1-CD1 3.65Å; V27-L167 HydrophobicContact CG2-CD1 4.25Å; V27-Y170 HydrophobicContact CG2-CD2 3.96Å; V27-L171 HydrophobicContact CG1-CD2 3.89Å; V27-L171 HydrophobicContact CG1-CG 4.17Å; V27-L178 HydrophobicContact CB-CD1 4.28Å; V27-L178 HydrophobicContact CB-CD2 4.16Å; V27-L178 HydrophobicContact CG1-CD1 3.91Å; V27-L178 HydrophobicContact CG1-CD2 4.13Å |
| 28 | D | 96.1 | Very high | 97.7 | Very high | 28 Ų | 28 | 33.3 Ų | 33.3 | 15% | 0.15 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.6 | -122.9 | -166.3 | -54.1 | -39.7 | 0 | 0 | 0 | 110.7 | H2 S3 | H2-D28 WeakPolarHBondContact CA-OD1 3.27Å; H2-D28 IonicContact CE1-OD2 3.31Å; H2-D28 IonicContact CG-OD2 2.72Å; H2-D28 IonicContact ND1-OD1 3.47Å; H2-D28 IonicContact ND1-OD2 2.77Å; H2-D28 PolarHBondContact ND1-OD2 2.94Å; S3-D28 PolarHBondContact N-OD1 2.94Å; S3-D28 PolarHBondContact O-N 3.46Å; S3-D28 PolarHBondContact OG-OD1 3.32Å |
| 29 | D | 94.9 | Very high | 97.9 | Very high | 67 Ų | 67 | 30.3 Ų | 30.3 | 36% | 0.358 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93 | 5.8 | 179.9 | -52.2 | -56.3 | 0 | 0 | 0 | 113.3 | V27 A210 F240 | V27-D29 PolarHBondContact O-N 3.34Å; D29-A210 HydrophobicContact CB-CB 4.15Å; D29-A210 VanDerWaalsContact CG-CB 3.48Å; D29-A210 VanDerWaalsContact OD2-CB 3.29Å; D29-A210 WeakPolarHBondContact OD2-CB 3.18Å; D29-A210 PolarHBondContact OD2-N 3.01Å; D29-F240 HydrophobicContact CB-CE2 3.82Å; D29-F240 HydrophobicContact CB-CZ 3.51Å |
| 30 | T | 96.3 | Very high | 97.9 | Very high | 22 Ų | 22 | 34.8 Ų | 34.8 | 14% | 0.135 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 115.7 | -175.2 | -60.1 | 0 | 0 | 0 | 0 | 111.8 | Y26 V27 F32 L178 Y208 | Y26-T30 WeakPolarHBondContact CA-O 3.32Å; Y26-T30 VanDerWaalsContact CD1-C 3.46Å; V27-T30 PolarHBondContact N-O 2.65Å; V27-T30 PolarHBondContact O-N 3.32Å; T30-F32 PolarHBondContact O-N 3.02Å; T30-L178 HydrophobicContact CG2-CD2 4.05Å; T30-Y208 PolarHBondContact OG1-OH 2.94Å |
| 31 | Q | 97.4 | Very high | 97.6 | Very high | 50 Ų | 50 | 32.9 Ų | 32.9 | 23% | 0.234 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 130.1 | 173.8 | -166.3 | -179.8 | 0.7 | 0 | 0 | 110.4 | V24 G25 Y26 V33 R47 | V24-Q31 VanDerWaalsContact CG1-NE2 3.25Å; G25-Q31 WeakPolarHBondContact O-CA 3.43Å; G25-Q31 WeakPolarHBondContact O-CG 3.32Å; Y26-Q31 HydrophobicContact CD1-CB 3.98Å; Y26-Q31 VanDerWaalsContact CD1-N 3.29Å; Y26-Q31 HydrophobicContact CD2-CG 4.41Å; Y26-Q31 HydrophobicContact CE1-CB 3.49Å; Y26-Q31 VanDerWaalsContact CE1-CB 3.49Å; Y26-Q31 HydrophobicContact CE1-CG 4.2Å; Y26-Q31 HydrophobicContact CE2-CB 4.15Å; Y26-Q31 HydrophobicContact CE2-CG 3.92Å; Y26-Q31 HydrophobicContact CG-CB 4.49Å; Q31-V33 PolarHBondContact NE2-O 3.47Å; Q31-R47 HydrophobicContact CG-CB 4.13Å; Q31-R47 HydrophobicContact CG-CG 4.37Å |
| 32 | F | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | -22.7 | 179.8 | 74.6 | -82.7 | 0 | 0 | 0 | 114.3 | M4 Y6 G25 V27 T30 R47 A48 W50 I51 Y170 | M4-F32 HydrophobicContact CG-CE1 4.44Å; M4-F32 HydrophobicContact SD-CZ 4.37Å; Y6-F32 AromaticContact CE1-CZ 3.86Å; Y6-F32 HydrophobicContact CE1-CZ 3.86Å; Y6-F32 AromaticContact CZ-CZ 3.69Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.36Å; G25-F32 WeakPolarHBondContact O-CD1 3.44Å; G25-F32 PolarHBondContact O-N 3.41Å; V27-F32 HydrophobicContact CG2-CD1 3.98Å; V27-F32 HydrophobicContact CG2-CE1 4.03Å; T30-F32 PolarHBondContact O-N 3.02Å; F32-R47 PolarHBondContact O-N 3.29Å; F32-A48 HydrophobicContact CB-CB 4.25Å; F32-W50 HydrophobicContact CB-CH2 3.14Å; F32-W50 HydrophobicContact CB-CZ2 3.36Å; F32-W50 HydrophobicContact CB-CZ3 4Å; F32-W50 HydrophobicContact CD1-CH2 4.16Å; F32-W50 AromaticContact CD2-CH2 3.91Å; F32-W50 HydrophobicContact CD2-CH2 3.91Å; F32-W50 HydrophobicContact CD2-CZ3 4.22Å; F32-W50 AromaticContact CG-CH2 3.5Å; F32-W50 HydrophobicContact CG-CH2 3.5Å; F32-W50 HydrophobicContact CG-CZ2 4.18Å; F32-W50 HydrophobicContact CG-CZ3 4.26Å; F32-I51 HydrophobicContact CD2-CB 4.49Å; F32-I51 HydrophobicContact CD2-CD1 4.03Å; F32-I51 HydrophobicContact CD2-CG1 4.04Å; F32-I51 HydrophobicContact CE2-CD1 4.42Å; F32-I51 VanDerWaalsContact O-CG2 3.29Å; F32-I51 WeakPolarHBondContact O-CG2 3.35Å; F32-Y170 HydrophobicContact CD2-CE2 4.48Å; F32-Y170 HydrophobicContact CE2-CD2 4.25Å; F32-Y170 AromaticContact CE2-CE2 3.67Å; F32-Y170 HydrophobicContact CE2-CE2 3.67Å; F32-Y170 AromaticContact CE2-CZ 4Å; F32-Y170 HydrophobicContact CZ-CD2 4.3Å; F32-Y170 AromaticContact CZ-CE2 3.8Å; F32-Y170 HydrophobicContact CZ-CE2 3.8Å |
| 33 | V | 98.6 | Very high | 97.5 | Very high | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.006 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 153.7 | 176 | -72 | 0 | 0 | 0 | 0 | 112.9 | Y6 V24 G25 Q31 M44 E45 I51 W59 | Y6-V33 HydrophobicContact CE1-CG2 3.95Å; V24-V33 WeakPolarHBondContact CA-O 3.3Å; G25-V33 PolarHBondContact N-O 3.36Å; G25-V33 VanDerWaalsContact N-O 3.08Å; G25-V33 PolarHBondContact O-N 2.88Å; Q31-V33 PolarHBondContact NE2-O 3.47Å; V33-M44 HydrophobicContact CB-CG 4.06Å; V33-M44 HydrophobicContact CB-SD 3.72Å; V33-M44 HydrophobicContact CG1-CG 4.11Å; V33-M44 HydrophobicContact CG1-SD 4.42Å; V33-M44 HydrophobicContact CG2-SD 4.12Å; V33-E45 WeakPolarHBondContact CA-O 3.26Å; V33-I51 HydrophobicContact CG1-CG1 4.48Å; V33-W59 HydrophobicContact CG1-CH2 4.12Å; V33-W59 HydrophobicContact CG1-CZ3 3.91Å |
| 34 | R | 98.6 | Very high | 97.4 | Very high | 70 Ų | 70 | 42.9 Ų | 42.9 | 26% | 0.264 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 143.8 | 172.7 | -179.5 | 173.7 | 170.4 | 100.7 | 6 | 111.4 | A23 V24 D36 M44 E45 R47 | A23-R34 CarbonylContact O-C 3.55Å; A23-R34 VanDerWaalsContact O-CA 3.32Å; A23-R34 WeakPolarHBondContact O-CA 3.35Å; V24-R34 HydrophobicContact CG1-CB 4.49Å; V24-R34 HydrophobicContact CG1-CG 4.21Å; R34-D36 IonicContact NH2-OD2 3.43Å; R34-D36 PolarHBondContact NH2-OD2 3.48Å; R34-M44 VanDerWaalsContact C-SD 3.58Å; R34-E45 PolarHBondContact N-O 3.37Å; R34-E45 PolarHBondContact O-N 3.02Å; R34-R47 HydrophobicContact CB-CG 3.85Å |
| 35 | F | 98.8 | Very high | 97.4 | Very high | 4 Ų | 4 | 44.6 Ų | 44.6 | 2% | 0.018 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 143.3 | 165 | 175 | -84.6 | 0 | 0 | 0 | 109.7 | F21 I22 A23 Q42 R43 M44 V66 K67 | F21-F35 AromaticContact CD1-CD1 3.83Å; F21-F35 HydrophobicContact CD1-CD1 3.83Å; F21-F35 AromaticContact CD1-CE1 3.88Å; F21-F35 HydrophobicContact CD1-CE1 3.88Å; F21-F35 HydrophobicContact CE1-CD1 4.22Å; I22-F35 WeakPolarHBondContact CA-O 3.34Å; A23-F35 HydrophobicContact CB-CB 4.24Å; A23-F35 PolarHBondContact N-O 3.48Å; A23-F35 PolarHBondContact O-N 3.49Å; F35-Q42 VanDerWaalsContact CE2-C 3.49Å; F35-Q42 HydrophobicContact CE2-CB 4.41Å; F35-Q42 WeakPolarHBondContact CE2-O 3.33Å; F35-Q42 HydrophobicContact CZ-CB 4.5Å; F35-R43 WeakPolarHBondContact CD2-O 3.24Å; F35-M44 HydrophobicContact CB-CE 4.33Å; F35-M44 HydrophobicContact CB-SD 3.96Å; F35-V66 HydrophobicContact CB-CG1 4.14Å; F35-V66 HydrophobicContact CB-CG2 3.82Å; F35-V66 HydrophobicContact CD1-CG1 4.34Å; F35-V66 HydrophobicContact CD1-CG2 3.95Å; F35-V66 HydrophobicContact CD2-CG1 3.38Å; F35-V66 HydrophobicContact CD2-CG2 4.34Å; F35-V66 HydrophobicContact CE2-CG1 3.78Å; F35-V66 HydrophobicContact CG-CB 4.44Å; F35-V66 HydrophobicContact CG-CG1 3.7Å; F35-V66 HydrophobicContact CG-CG2 3.78Å; F35-V66 HydrophobicContact CZ-CG1 4.42Å; F35-K67 HydrophobicContact CE2-CG 4.22Å; F35-K67 HydrophobicContact CZ-CG 4.2Å |
| 36 | D | 98.6 | Very high | 97.4 | Very high | 20 Ų | 20 | 46.6 Ų | 46.6 | 11% | 0.107 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 122.1 | 173.7 | -162.2 | -31.7 | 0 | 0 | 0 | 109 | R20 R34 D38 A39 | R20-D36 IonicContact CZ-OD1 3.57Å; R20-D36 IonicContact CZ-OD2 3.78Å; R20-D36 IonicContact NE-OD1 2.72Å; R20-D36 PolarHBondContact NE-OD1 3.44Å; R20-D36 VanDerWaalsContact NE-OD1 3.13Å; R20-D36 IonicContact NE-OD2 3.13Å; R20-D36 IonicContact NH2-OD1 3.64Å; R20-D36 IonicContact NH2-OD2 3.55Å; R20-D36 PolarHBondContact NH2-OD2 2.87Å; R34-D36 IonicContact NH2-OD2 3.43Å; R34-D36 PolarHBondContact NH2-OD2 3.48Å; D36-D38 PolarHBondContact O-N 3.48Å; D36-D38 PolarHBondContact OD1-N 2.94Å; D36-A39 HydrophobicContact CB-CB 4.14Å; D36-A39 WeakPolarHBondContact O-CB 3.5Å; D36-A39 PolarHBondContact O-N 3Å; D36-A39 VanDerWaalsContact O-N 3.1Å |
| 37 | S | 98.1 | Very high | 97.3 | Very high | 16 Ų | 16 | 48.1 Ų | 48.1 | 11% | 0.112 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -23.7 | -179 | 64.1 | 0 | 0 | 0 | 0 | 113.1 | F21 Q42 | F21-S37 PolarHBondContact N-OG 3.3Å; F21-S37 PolarHBondContact O-N 3.39Å; F21-S37 PolarHBondContact O-OG 2.85Å; S37-Q42 PolarHBondContact O-NE2 2.93Å |
| 38 | D | 97.3 | Very high | 97.2 | Very high | 79 Ų | 79 | 48.4 Ų | 48.4 | 42% | 0.422 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -8.1 | 179.7 | -68.9 | 0.5 | 0 | 0 | 0 | 112.3 | R13 R20 D36 | R13-D38 IonicContact CZ-OD1 2.96Å; R13-D38 IonicContact CZ-OD2 3.69Å; R13-D38 IonicContact NH1-OD1 3.29Å; R13-D38 PolarHBondContact NH1-OD1 2.9Å; R13-D38 IonicContact NH1-OD2 2.7Å; R13-D38 PolarHBondContact NH1-OD2 3.48Å; R13-D38 IonicContact NH2-OD1 3.24Å; R13-D38 PolarHBondContact NH2-OD1 2.91Å; R13-D38 IonicContact NH2-OD2 3.7Å; R20-D38 VanDerWaalsContact CD-OD2 3.29Å; R20-D38 WeakPolarHBondContact CD-OD2 3.27Å; R20-D38 IonicContact NE-OD2 3.15Å; D36-D38 PolarHBondContact O-N 3.48Å; D36-D38 PolarHBondContact OD1-N 2.94Å |
| 39 | A | 97.2 | Very high | 97.2 | Very high | 31 Ų | 31 | 52 Ų | 52 | 26% | 0.256 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -70.9 | 144.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | D36 S41 Q42 | D36-A39 HydrophobicContact CB-CB 4.14Å; D36-A39 WeakPolarHBondContact O-CB 3.5Å; D36-A39 PolarHBondContact O-N 3Å; D36-A39 VanDerWaalsContact O-N 3.1Å; A39-S41 VanDerWaalsContact C-N 3.29Å; A39-S41 PolarHBondContact O-N 3.49Å; A39-Q42 WeakPolarHBondContact O-CG 3.28Å; A39-Q42 PolarHBondContact O-N 3.35Å |
| 40 | A | 96.4 | Very high | 97.3 | Very high | 115 Ų | 115 | 49.4 Ų | 49.4 | 95% | 0.95 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -62.5 | -33.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 41 | S | 93.7 | Very high | 97.4 | Very high | 53 Ų | 53 | 48.4 Ų | 48.4 | 37% | 0.371 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -70.4 | -33.9 | 178.9 | 61.9 | 0 | 0 | 0 | 0 | 112.1 | A39 R43 E45 | A39-S41 VanDerWaalsContact C-N 3.29Å; A39-S41 PolarHBondContact O-N 3.49Å; S41-R43 WeakPolarHBondContact O-CG 3.13Å; S41-R43 PolarHBondContact O-N 3.42Å; S41-R43 VanDerWaalsContact O-N 3.17Å; S41-E45 PolarHBondContact OG-OE1 3.48Å |
| 42 | Q | 95.9 | Very high | 97.3 | Very high | 90 Ų | 90 | 51.8 Ų | 51.8 | 42% | 0.421 | 28% | 0.277 | S | S | . | . | trans | 38.7 | 49.1 | -167 | -59.6 | -172.2 | -22.1 | 0 | 0 | 111.8 | F35 S37 A39 K67 | F35-Q42 VanDerWaalsContact CE2-C 3.49Å; F35-Q42 HydrophobicContact CE2-CB 4.41Å; F35-Q42 WeakPolarHBondContact CE2-O 3.33Å; F35-Q42 HydrophobicContact CZ-CB 4.5Å; S37-Q42 PolarHBondContact O-NE2 2.93Å; A39-Q42 WeakPolarHBondContact O-CG 3.28Å; A39-Q42 PolarHBondContact O-N 3.35Å; Q42-K67 WeakPolarHBondContact O-CE 3.45Å; Q42-K67 PolarHBondContact O-NZ 2.86Å; Q42-K67 VanDerWaalsContact O-NZ 3.13Å | ||
| 43 | R | 97.9 | Very high | 97.2 | Very high | 151 Ų | 151 | 57.7 Ų | 57.7 | 57% | 0.57 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -122.2 | 156.8 | 178.8 | -81.4 | 177.7 | 171.3 | 153.6 | -0.6 | 110.3 | F35 S41 E45 T63 | F35-R43 WeakPolarHBondContact CD2-O 3.24Å; S41-R43 WeakPolarHBondContact O-CG 3.13Å; S41-R43 PolarHBondContact O-N 3.42Å; S41-R43 VanDerWaalsContact O-N 3.17Å; R43-E45 PolarHBondContact O-N 3.4Å; R43-T63 HydrophobicContact CB-CG2 4.48Å; R43-T63 HydrophobicContact CG-CG2 4.08Å |
| 44 | M | 98.3 | Very high | 97.1 | Very high | 11 Ų | 11 | 58.3 Ų | 58.3 | 5% | 0.054 | 31% | 0.307 | C | S | . | . | trans | -69.2 | 127.5 | 165.9 | -171 | 65.2 | 81.6 | 0 | 0 | 107.9 | V33 R34 F35 W59 E62 T63 V66 | V33-M44 HydrophobicContact CB-CG 4.06Å; V33-M44 HydrophobicContact CB-SD 3.72Å; V33-M44 HydrophobicContact CG1-CG 4.11Å; V33-M44 HydrophobicContact CG1-SD 4.42Å; V33-M44 HydrophobicContact CG2-SD 4.12Å; R34-M44 VanDerWaalsContact C-SD 3.58Å; F35-M44 HydrophobicContact CB-CE 4.33Å; F35-M44 HydrophobicContact CB-SD 3.96Å; M44-W59 HydrophobicContact CB-CE3 4.36Å; M44-W59 HydrophobicContact CG-CE3 4.32Å; M44-W59 HydrophobicContact CG-CZ3 4.1Å; M44-E62 HydrophobicContact CB-CB 4.15Å; M44-E62 HydrophobicContact CG-CB 4.12Å; M44-T63 PolarHBondContact N-OG1 3.01Å; M44-V66 HydrophobicContact CE-CB 3.76Å; M44-V66 HydrophobicContact CE-CG1 4Å; M44-V66 HydrophobicContact CE-CG2 3.88Å | ||
| 45 | E | 98.2 | Very high | 97 | Very high | 59 Ų | 59 | 56.7 Ų | 56.7 | 28% | 0.276 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 141.4 | -175.1 | -62.4 | 176.8 | 172.7 | 0 | 0 | 110.8 | V33 R34 S41 R43 R47 | V33-E45 WeakPolarHBondContact CA-O 3.26Å; R34-E45 PolarHBondContact N-O 3.37Å; R34-E45 PolarHBondContact O-N 3.02Å; S41-E45 PolarHBondContact OG-OE1 3.48Å; R43-E45 PolarHBondContact O-N 3.4Å; E45-R47 IonicContact OE2-CZ 3.87Å; E45-R47 IonicContact OE2-NH1 2.91Å; E45-R47 PolarHBondContact OE2-NH1 2.95Å; E45-R47 VanDerWaalsContact OE2-NH1 3.15Å; E45-R47 IonicContact OE2-NH2 2.83Å; E45-R47 PolarHBondContact OE2-NH2 2.93Å |
| 46 | P | 98.1 | Very high | 97 | Very high | 42 Ų | 42 | 61.4 Ų | 61.4 | 27% | 0.273 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 148 | 175 | 28.8 | -34.7 | 0 | 0 | 0 | 111.2 | I51 E52 W59 | P46-I51 HydrophobicContact CB-CG2 3.66Å; P46-E52 HydrophobicContact CB-CG 3.74Å; P46-E52 HydrophobicContact CG-CG 3.97Å; P46-W59 HydrophobicContact CB-CH2 3.63Å; P46-W59 HydrophobicContact CB-CZ2 3.98Å; P46-W59 HydrophobicContact CB-CZ3 4.49Å; P46-W59 HydrophobicContact CG-CH2 4.27Å; P46-W59 HydrophobicContact CG-CZ2 4.42Å |
| 47 | R | 97.4 | Very high | 96.9 | Very high | 102 Ų | 102 | 68.8 Ų | 68.8 | 39% | 0.385 | 38% | 0.377 | S | S | . | . | trans | -129.9 | 2 | 173.7 | -65.4 | -63.5 | -178.8 | -93.2 | 2.7 | 113.4 | Q31 F32 R34 E45 | Q31-R47 HydrophobicContact CG-CB 4.13Å; Q31-R47 HydrophobicContact CG-CG 4.37Å; F32-R47 PolarHBondContact O-N 3.29Å; R34-R47 HydrophobicContact CB-CG 3.85Å; E45-R47 IonicContact OE2-CZ 3.87Å; E45-R47 IonicContact OE2-NH1 2.91Å; E45-R47 PolarHBondContact OE2-NH1 2.95Å; E45-R47 VanDerWaalsContact OE2-NH1 3.15Å; E45-R47 IonicContact OE2-NH2 2.83Å; E45-R47 PolarHBondContact OE2-NH2 2.93Å | ||
| 48 | A | 96.1 | Very high | 96.9 | Very high | 5 Ų | 5 | 68.9 Ų | 68.9 | 4% | 0.041 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -139.9 | 143.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | F32 W50 I51 | F32-A48 HydrophobicContact CB-CB 4.25Å; A48-W50 VanDerWaalsContact C-N 3.28Å; A48-W50 HydrophobicContact CB-CD2 4.17Å; A48-W50 HydrophobicContact CB-CG 4.35Å; A48-W50 HydrophobicContact CB-CZ2 3.97Å; A48-W50 PolarHBondContact O-N 3Å; A48-I51 WeakPolarHBondContact O-CG2 3.35Å; A48-I51 PolarHBondContact O-N 2.95Å |
| 49 | P | 96.2 | Very high | 97 | Very high | 103 Ų | 103 | 67.1 Ų | 67.1 | 67% | 0.669 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | -58.5 | -37.5 | -177.3 | -26.8 | 35 | 0 | 0 | 0 | 113.8 | I51 E52 | P49-I51 PolarHBondContact O-N 3.09Å; P49-E52 WeakPolarHBondContact O-CB 3.45Å; P49-E52 PolarHBondContact O-N 3.4Å; P49-E52 VanDerWaalsContact O-N 3.11Å |
| 50 | W | 96.3 | Very high | 97 | Very high | 14 Ų | 14 | 69.8 Ų | 69.8 | 5% | 0.053 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -69.6 | -14.6 | -176.4 | 54.5 | -105.1 | 0 | 0 | 0 | 114.5 | V27 F32 A48 Q53 Y170 G174 L178 | V27-W50 HydrophobicContact CB-CH2 4.47Å; V27-W50 HydrophobicContact CG2-CH2 3.97Å; F32-W50 HydrophobicContact CB-CH2 3.14Å; F32-W50 HydrophobicContact CB-CZ2 3.36Å; F32-W50 HydrophobicContact CB-CZ3 4Å; F32-W50 HydrophobicContact CD1-CH2 4.16Å; F32-W50 AromaticContact CD2-CH2 3.91Å; F32-W50 HydrophobicContact CD2-CH2 3.91Å; F32-W50 HydrophobicContact CD2-CZ3 4.22Å; F32-W50 AromaticContact CG-CH2 3.5Å; F32-W50 HydrophobicContact CG-CH2 3.5Å; F32-W50 HydrophobicContact CG-CZ2 4.18Å; F32-W50 HydrophobicContact CG-CZ3 4.26Å; A48-W50 VanDerWaalsContact C-N 3.28Å; A48-W50 HydrophobicContact CB-CD2 4.17Å; A48-W50 HydrophobicContact CB-CG 4.35Å; A48-W50 HydrophobicContact CB-CZ2 3.97Å; A48-W50 PolarHBondContact O-N 3Å; W50-Q53 WeakPolarHBondContact O-CG 3.36Å; W50-Y170 HydrophobicContact CH2-CG 4.37Å; W50-Y170 HydrophobicContact CZ3-CD1 4Å; W50-Y170 AromaticContact CZ3-CG 3.83Å; W50-Y170 HydrophobicContact CZ3-CG 3.83Å; W50-G174 VanDerWaalsContact CG-CA 3.48Å; W50-L178 HydrophobicContact CD2-CD1 4.38Å; W50-L178 HydrophobicContact CH2-CD1 4.22Å; W50-L178 HydrophobicContact CZ2-CD1 3.78Å; W50-L178 HydrophobicContact CZ2-CD2 4.01Å; W50-L178 HydrophobicContact CZ2-CG 4.28Å |
| 51 | I | 97.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -88.8 | -20.2 | 173.5 | -163.4 | 71.2 | 0 | 0 | 0 | 111.7 | F32 V33 P46 A48 P49 Q53 E54 Y58 W59 Y170 | F32-I51 HydrophobicContact CD2-CB 4.49Å; F32-I51 HydrophobicContact CD2-CD1 4.03Å; F32-I51 HydrophobicContact CD2-CG1 4.04Å; F32-I51 HydrophobicContact CE2-CD1 4.42Å; F32-I51 VanDerWaalsContact O-CG2 3.29Å; F32-I51 WeakPolarHBondContact O-CG2 3.35Å; V33-I51 HydrophobicContact CG1-CG1 4.48Å; P46-I51 HydrophobicContact CB-CG2 3.66Å; A48-I51 WeakPolarHBondContact O-CG2 3.35Å; A48-I51 PolarHBondContact O-N 2.95Å; P49-I51 PolarHBondContact O-N 3.09Å; I51-Q53 PolarHBondContact O-N 2.71Å; I51-Q53 VanDerWaalsContact O-N 3.15Å; I51-E54 HydrophobicContact CD1-CG 3.73Å; I51-E54 HydrophobicContact CG1-CG 4.27Å; I51-E54 WeakPolarHBondContact O-CB 3.43Å; I51-E54 WeakPolarHBondContact O-CG 3.07Å; I51-E54 PolarHBondContact O-N 2.7Å; I51-Y58 HydrophobicContact CD1-CE1 4.23Å; I51-Y58 HydrophobicContact CG1-CE1 4.2Å; I51-W59 HydrophobicContact CB-CH2 4.46Å; I51-W59 HydrophobicContact CG1-CH2 3.78Å; I51-W59 HydrophobicContact CG1-CZ2 4.03Å; I51-W59 HydrophobicContact CG2-CH2 3.97Å; I51-W59 HydrophobicContact CG2-CZ2 4.33Å; I51-W59 WeakPolarHBondContact O-CZ2 3.31Å; I51-Y170 HydrophobicContact CD1-CD1 3.7Å; I51-Y170 HydrophobicContact CD1-CE1 3.34Å |
| 52 | E | 96.4 | Very high | 97.3 | Very high | 122 Ų | 122 | 63.2 Ų | 63.2 | 57% | 0.57 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -22.5 | -176.6 | -64.2 | -178.1 | -175.5 | 0 | 0 | 113.3 | P46 P49 E54 | P46-E52 HydrophobicContact CB-CG 3.74Å; P46-E52 HydrophobicContact CG-CG 3.97Å; P49-E52 WeakPolarHBondContact O-CB 3.45Å; P49-E52 PolarHBondContact O-N 3.4Å; P49-E52 VanDerWaalsContact O-N 3.11Å; E52-E54 PolarHBondContact O-N 3.32Å |
| 53 | Q | 95.3 | Very high | 97.5 | Very high | 124 Ų | 124 | 59.5 Ų | 59.5 | 58% | 0.579 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -12.6 | 175.7 | 69 | -177.8 | 12.2 | 0 | 0 | 114.1 | W50 I51 N173 | W50-Q53 WeakPolarHBondContact O-CG 3.36Å; I51-Q53 PolarHBondContact O-N 2.71Å; I51-Q53 VanDerWaalsContact O-N 3.15Å; Q53-N173 PolarHBondContact NE2-ND2 3.34Å; Q53-N173 PolarHBondContact NE2-OD1 2.84Å; Q53-N173 VanDerWaalsContact NE2-OD1 3.08Å |
| 54 | E | 97.3 | Very high | 97.5 | Very high | 13 Ų | 13 | 60.5 Ų | 60.5 | 6% | 0.061 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -65.3 | 138.9 | 174.8 | -67.3 | -62.5 | 163.9 | 0 | 0 | 111 | I51 E52 Y58 W59 R169 N173 | I51-E54 HydrophobicContact CD1-CG 3.73Å; I51-E54 HydrophobicContact CG1-CG 4.27Å; I51-E54 WeakPolarHBondContact O-CB 3.43Å; I51-E54 WeakPolarHBondContact O-CG 3.07Å; I51-E54 PolarHBondContact O-N 2.7Å; E52-E54 PolarHBondContact O-N 3.32Å; E54-Y58 HydrophobicContact CB-CD1 3.53Å; E54-Y58 HydrophobicContact CB-CD2 4.43Å; E54-Y58 HydrophobicContact CB-CE1 4.15Å; E54-Y58 HydrophobicContact CB-CG 3.7Å; E54-Y58 HydrophobicContact CG-CD1 4.04Å; E54-Y58 HydrophobicContact CG-CD2 4.36Å; E54-Y58 HydrophobicContact CG-CE1 4.25Å; E54-Y58 HydrophobicContact CG-CG 4.1Å; E54-W59 PolarHBondContact O-NE1 3.38Å; E54-R169 IonicContact OE1-CZ 2.7Å; E54-R169 IonicContact OE1-NE 2.75Å; E54-R169 PolarHBondContact OE1-NE 3.04Å; E54-R169 IonicContact OE1-NH2 3.51Å; E54-R169 PolarHBondContact OE1-NH2 3.22Å; E54-R169 IonicContact OE2-CZ 3.63Å; E54-R169 IonicContact OE2-NE 3.71Å; E54-R169 PolarHBondContact OE2-NE 2.96Å; E54-R169 IonicContact OE2-NH2 2.82Å; E54-R169 PolarHBondContact OE2-NH2 2.6Å; E54-N173 PolarHBondContact OE1-ND2 3.22Å |
| 55 | G | 96.8 | Very high | 97.4 | Very high | 36 Ų | 36 | 64.9 Ų | 64.9 | 37% | 0.371 | 33% | 0.326 | S | S | . | . | trans | -72.7 | 169.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | E57 Y58 W59 | G55-E57 PolarHBondContact O-N 3.49Å; G55-E57 VanDerWaalsContact O-N 3.15Å; G55-Y58 WeakPolarHBondContact O-CB 3.49Å; G55-Y58 PolarHBondContact O-N 3.45Å; G55-W59 VanDerWaalsContact O-CD1 3.31Å; G55-W59 PolarHBondContact O-N 3.15Å | ||
| 56 | P | 97.3 | Very high | 97.4 | Very high | 104 Ų | 104 | 62.2 Ų | 62.2 | 68% | 0.675 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -54.8 | -35.8 | -179.7 | -26.4 | 34.8 | 0 | 0 | 0 | 114.2 | Y58 W59 D60 | P56-Y58 VanDerWaalsContact C-N 3.28Å; P56-Y58 PolarHBondContact O-N 2.88Å; P56-W59 PolarHBondContact O-N 3.04Å; P56-D60 WeakPolarHBondContact O-CB 3.49Å; P56-D60 PolarHBondContact O-N 2.92Å |
| 57 | E | 97.8 | Very high | 97.5 | Very high | 175 Ų | 175 | 64.2 Ų | 64.2 | 82% | 0.818 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -61.2 | -36.2 | 178.8 | -64.3 | -176 | 174.3 | 0 | 0 | 112.8 | G55 G61 | G55-E57 PolarHBondContact O-N 3.49Å; G55-E57 VanDerWaalsContact O-N 3.15Å; E57-G61 PolarHBondContact O-N 3.37Å |
| 58 | Y | 97.8 | Very high | 97.5 | Very high | 18 Ų | 18 | 62 Ų | 62 | 7% | 0.071 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.2 | -53 | 174.3 | 171.7 | -93.5 | 0 | 0 | 0 | 110.2 | I51 E54 G55 P56 D60 G61 E62 W166 Y170 | I51-Y58 HydrophobicContact CD1-CE1 4.23Å; I51-Y58 HydrophobicContact CG1-CE1 4.2Å; E54-Y58 HydrophobicContact CB-CD1 3.53Å; E54-Y58 HydrophobicContact CB-CD2 4.43Å; E54-Y58 HydrophobicContact CB-CE1 4.15Å; E54-Y58 HydrophobicContact CB-CG 3.7Å; E54-Y58 HydrophobicContact CG-CD1 4.04Å; E54-Y58 HydrophobicContact CG-CD2 4.36Å; E54-Y58 HydrophobicContact CG-CE1 4.25Å; E54-Y58 HydrophobicContact CG-CG 4.1Å; G55-Y58 WeakPolarHBondContact O-CB 3.49Å; G55-Y58 PolarHBondContact O-N 3.45Å; P56-Y58 VanDerWaalsContact C-N 3.28Å; P56-Y58 PolarHBondContact O-N 2.88Å; Y58-D60 PolarHBondContact O-N 3Å; Y58-G61 PolarHBondContact O-N 2.95Å; Y58-G61 VanDerWaalsContact O-N 3.16Å; Y58-E62 HydrophobicContact CD1-CG 4.36Å; Y58-E62 HydrophobicContact CD2-CG 4.23Å; Y58-E62 HydrophobicContact CE1-CG 3.96Å; Y58-E62 HydrophobicContact CE2-CG 3.84Å; Y58-E62 HydrophobicContact CG-CG 4.48Å; Y58-E62 WeakPolarHBondContact O-CG 3.34Å; Y58-E62 PolarHBondContact O-N 2.94Å; Y58-W166 AromaticContact CD2-CH2 3.53Å; Y58-W166 HydrophobicContact CD2-CH2 3.53Å; Y58-W166 HydrophobicContact CD2-CZ2 4.3Å; Y58-W166 AromaticContact CD2-CZ3 3.76Å; Y58-W166 HydrophobicContact CD2-CZ3 3.76Å; Y58-W166 HydrophobicContact CE2-CE3 4.23Å; Y58-W166 AromaticContact CE2-CH2 3.81Å; Y58-W166 HydrophobicContact CE2-CH2 3.81Å; Y58-W166 HydrophobicContact CE2-CZ2 4.46Å; Y58-W166 AromaticContact CE2-CZ3 3.66Å; Y58-W166 HydrophobicContact CE2-CZ3 3.66Å; Y58-Y170 HydrophobicContact CE2-CE1 4.38Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.23Å; Y58-Y170 PolarHBondContact OH-OH 3.18Å |
| 59 | W | 98.4 | Very high | 97.6 | Very high | 41 Ų | 41 | 64 Ų | 64 | 16% | 0.155 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.2 | -40 | -176.8 | -65.8 | 112.2 | 0 | 0 | 0 | 112.9 | V33 M44 P46 I51 E54 G55 P56 T63 | V33-W59 HydrophobicContact CG1-CH2 4.12Å; V33-W59 HydrophobicContact CG1-CZ3 3.91Å; M44-W59 HydrophobicContact CB-CE3 4.36Å; M44-W59 HydrophobicContact CG-CE3 4.32Å; M44-W59 HydrophobicContact CG-CZ3 4.1Å; P46-W59 HydrophobicContact CB-CH2 3.63Å; P46-W59 HydrophobicContact CB-CZ2 3.98Å; P46-W59 HydrophobicContact CB-CZ3 4.49Å; P46-W59 HydrophobicContact CG-CH2 4.27Å; P46-W59 HydrophobicContact CG-CZ2 4.42Å; I51-W59 HydrophobicContact CB-CH2 4.46Å; I51-W59 HydrophobicContact CG1-CH2 3.78Å; I51-W59 HydrophobicContact CG1-CZ2 4.03Å; I51-W59 HydrophobicContact CG2-CH2 3.97Å; I51-W59 HydrophobicContact CG2-CZ2 4.33Å; I51-W59 WeakPolarHBondContact O-CZ2 3.31Å; E54-W59 PolarHBondContact O-NE1 3.38Å; G55-W59 VanDerWaalsContact O-CD1 3.31Å; G55-W59 PolarHBondContact O-N 3.15Å; P56-W59 PolarHBondContact O-N 3.04Å; W59-T63 WeakPolarHBondContact O-CB 3.36Å; W59-T63 PolarHBondContact O-N 2.77Å; W59-T63 PolarHBondContact O-OG1 2.9Å |
| 60 | D | 98.3 | Very high | 97.7 | Very high | 87 Ų | 87 | 59.9 Ų | 59.9 | 47% | 0.465 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -67.2 | -39.8 | 174.4 | -77 | -20 | 0 | 0 | 0 | 111.5 | P56 Y58 R64 | P56-D60 WeakPolarHBondContact O-CB 3.49Å; P56-D60 PolarHBondContact O-N 2.92Å; Y58-D60 PolarHBondContact O-N 3Å; D60-R64 WeakPolarHBondContact O-CB 3.46Å; D60-R64 PolarHBondContact O-N 2.79Å |
| 61 | G | 98.2 | Very high | 97.7 | Very high | 13 Ų | 13 | 64.2 Ų | 64.2 | 13% | 0.134 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.8 | -53.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | E57 Y58 R64 K65 | E57-G61 PolarHBondContact O-N 3.37Å; Y58-G61 PolarHBondContact O-N 2.95Å; Y58-G61 VanDerWaalsContact O-N 3.16Å; G61-R64 PolarHBondContact O-N 2.95Å; G61-K65 WeakPolarHBondContact O-CG 3.49Å; G61-K65 PolarHBondContact O-N 3.02Å |
| 62 | E | 98.1 | Very high | 97.7 | Very high | 17 Ų | 17 | 67.5 Ų | 67.5 | 8% | 0.079 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.8 | -40 | 178.9 | -68.6 | -50.7 | 114.2 | 0 | 0 | 111.7 | M44 Y58 R64 K65 V66 | M44-E62 HydrophobicContact CB-CB 4.15Å; M44-E62 HydrophobicContact CG-CB 4.12Å; Y58-E62 HydrophobicContact CD1-CG 4.36Å; Y58-E62 HydrophobicContact CD2-CG 4.23Å; Y58-E62 HydrophobicContact CE1-CG 3.96Å; Y58-E62 HydrophobicContact CE2-CG 3.84Å; Y58-E62 HydrophobicContact CG-CG 4.48Å; Y58-E62 WeakPolarHBondContact O-CG 3.34Å; Y58-E62 PolarHBondContact O-N 2.94Å; E62-R64 VanDerWaalsContact C-N 3.33Å; E62-R64 PolarHBondContact O-N 3.09Å; E62-K65 PolarHBondContact O-N 2.93Å; E62-K65 WeakPolarHBondContact OE1-CD 3.41Å; E62-K65 IonicContact OE1-NZ 3.52Å; E62-K65 PolarHBondContact OE1-NZ 3.32Å; E62-V66 WeakPolarHBondContact O-CB 3.27Å; E62-V66 WeakPolarHBondContact O-CG1 3.48Å; E62-V66 PolarHBondContact O-N 2.93Å |
| 63 | T | 98.6 | Very high | 97.8 | Very high | 13 Ų | 13 | 61.7 Ų | 61.7 | 8% | 0.08 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.4 | -42.4 | 173.7 | -64.6 | 0 | 0 | 0 | 0 | 111.7 | R43 M44 W59 V66 K67 | R43-T63 HydrophobicContact CB-CG2 4.48Å; R43-T63 HydrophobicContact CG-CG2 4.08Å; M44-T63 PolarHBondContact N-OG1 3.01Å; W59-T63 WeakPolarHBondContact O-CB 3.36Å; W59-T63 PolarHBondContact O-N 2.77Å; W59-T63 PolarHBondContact O-OG1 2.9Å; T63-V66 WeakPolarHBondContact O-CG1 3.42Å; T63-K67 HydrophobicContact CG2-CD 4.27Å; T63-K67 WeakPolarHBondContact O-CB 3.19Å; T63-K67 VanDerWaalsContact O-CG 3.32Å; T63-K67 WeakPolarHBondContact O-CG 3.44Å; T63-K67 PolarHBondContact O-N 2.73Å; T63-K67 VanDerWaalsContact O-N 3.09Å |
| 64 | R | 98.4 | Very high | 97.8 | Very high | 171 Ų | 171 | 61 Ų | 61 | 65% | 0.645 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -65.5 | -45.7 | 177.3 | -169.4 | -175.1 | -58.7 | 108.1 | 2.5 | 111.3 | D60 G61 E62 K67 A68 | D60-R64 WeakPolarHBondContact O-CB 3.46Å; D60-R64 PolarHBondContact O-N 2.79Å; G61-R64 PolarHBondContact O-N 2.95Å; E62-R64 VanDerWaalsContact C-N 3.33Å; E62-R64 PolarHBondContact O-N 3.09Å; R64-K67 PolarHBondContact O-N 3.26Å; R64-A68 PolarHBondContact O-N 3.37Å |
| 65 | K | 97.7 | Very high | 97.8 | Very high | 104 Ų | 104 | 64.7 Ų | 64.7 | 45% | 0.452 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62 | -43.9 | 179.2 | -70.9 | 173.4 | -165.9 | 165.1 | 0 | 112 | G61 E62 A68 H69 | G61-K65 WeakPolarHBondContact O-CG 3.49Å; G61-K65 PolarHBondContact O-N 3.02Å; E62-K65 PolarHBondContact O-N 2.93Å; E62-K65 WeakPolarHBondContact OE1-CD 3.41Å; E62-K65 IonicContact OE1-NZ 3.52Å; E62-K65 PolarHBondContact OE1-NZ 3.32Å; K65-A68 PolarHBondContact O-N 2.62Å; K65-H69 PolarHBondContact O-N 2.76Å; K65-H69 PolarHBondContact O-ND1 3.3Å |
| 66 | V | 98.2 | Very high | 97.9 | Very high | 3 Ų | 3 | 65 Ų | 65 | 2% | 0.018 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -71 | -35 | -178.7 | 75.9 | 0 | 0 | 0 | 0 | 111.8 | F21 A23 F35 M44 E62 T63 H69 S70 | F21-V66 HydrophobicContact CE1-CG2 3.69Å; F21-V66 HydrophobicContact CZ-CG2 4.49Å; A23-V66 HydrophobicContact CB-CG2 3.61Å; F35-V66 HydrophobicContact CB-CG1 4.14Å; F35-V66 HydrophobicContact CB-CG2 3.82Å; F35-V66 HydrophobicContact CD1-CG1 4.34Å; F35-V66 HydrophobicContact CD1-CG2 3.95Å; F35-V66 HydrophobicContact CD2-CG1 3.38Å; F35-V66 HydrophobicContact CD2-CG2 4.34Å; F35-V66 HydrophobicContact CE2-CG1 3.78Å; F35-V66 HydrophobicContact CG-CB 4.44Å; F35-V66 HydrophobicContact CG-CG1 3.7Å; F35-V66 HydrophobicContact CG-CG2 3.78Å; F35-V66 HydrophobicContact CZ-CG1 4.42Å; M44-V66 HydrophobicContact CE-CB 3.76Å; M44-V66 HydrophobicContact CE-CG1 4Å; M44-V66 HydrophobicContact CE-CG2 3.88Å; E62-V66 WeakPolarHBondContact O-CB 3.27Å; E62-V66 WeakPolarHBondContact O-CG1 3.48Å; E62-V66 PolarHBondContact O-N 2.93Å; T63-V66 WeakPolarHBondContact O-CG1 3.42Å; V66-H69 PolarHBondContact O-N 3.48Å; V66-S70 PolarHBondContact O-N 3.04Å |
| 67 | K | 98.2 | Very high | 97.9 | Very high | 84 Ų | 84 | 60.4 Ų | 60.4 | 37% | 0.365 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.5 | -40.5 | 171.2 | -75.7 | -175.6 | -179.6 | -173.4 | 0 | 112.2 | F35 Q42 T63 R64 S70 Q71 | F35-K67 HydrophobicContact CE2-CG 4.22Å; F35-K67 HydrophobicContact CZ-CG 4.2Å; Q42-K67 WeakPolarHBondContact O-CE 3.45Å; Q42-K67 PolarHBondContact O-NZ 2.86Å; Q42-K67 VanDerWaalsContact O-NZ 3.13Å; T63-K67 HydrophobicContact CG2-CD 4.27Å; T63-K67 WeakPolarHBondContact O-CB 3.19Å; T63-K67 VanDerWaalsContact O-CG 3.32Å; T63-K67 WeakPolarHBondContact O-CG 3.44Å; T63-K67 PolarHBondContact O-N 2.73Å; T63-K67 VanDerWaalsContact O-N 3.09Å; R64-K67 PolarHBondContact O-N 3.26Å; K67-S70 WeakPolarHBondContact O-CB 3.37Å; K67-S70 PolarHBondContact O-N 2.89Å; K67-Q71 PolarHBondContact O-N 3.37Å; K67-Q71 VanDerWaalsContact O-N 3.12Å |
| 68 | A | 98.1 | Very high | 97.8 | Very high | 55 Ų | 55 | 53.8 Ų | 53.8 | 46% | 0.455 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.7 | -45.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | R64 K65 S70 Q71 T72 | R64-A68 PolarHBondContact O-N 3.37Å; K65-A68 PolarHBondContact O-N 2.62Å; A68-S70 VanDerWaalsContact C-N 3.34Å; A68-S70 PolarHBondContact O-N 3Å; A68-Q71 PolarHBondContact O-N 2.88Å; A68-Q71 VanDerWaalsContact O-N 3.17Å; A68-T72 PolarHBondContact O-N 3.29Å; A68-T72 PolarHBondContact O-OG1 3.18Å |
| 69 | H | 97.9 | Very high | 97.8 | Very high | 47 Ų | 47 | 55.5 Ų | 55.5 | 22% | 0.218 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.3 | -39.3 | 174.7 | -80 | 89.1 | 0 | 0 | 0 | 113.1 | F8 F21 K65 V66 Q71 T72 H73 K96 | F8-H69 HydrophobicContact CD2-CB 4.13Å; F8-H69 AromaticContact CD2-CD2 3.85Å; F8-H69 HydrophobicContact CE2-CB 3.94Å; F8-H69 AromaticContact CE2-CD2 3.44Å; F8-H69 VanDerWaalsContact CE2-CD2 3.44Å; F8-H69 WeakPolarHBondContact CE2-CD2 3.46Å; F8-H69 AromaticContact CE2-CG 3.57Å; F8-H69 AromaticContact CE2-NE2 3.86Å; F21-H69 HydrophobicContact CZ-CB 4.05Å; K65-H69 PolarHBondContact O-N 2.76Å; K65-H69 PolarHBondContact O-ND1 3.3Å; V66-H69 PolarHBondContact O-N 3.48Å; H69-Q71 VanDerWaalsContact C-N 3.3Å; H69-Q71 PolarHBondContact O-N 2.92Å; H69-T72 PolarHBondContact O-N 2.68Å; H69-H73 PolarHBondContact O-CD2 2.96Å; H69-H73 PolarHBondContact O-N 3.03Å; H69-K96 PolarHBondContact CD2-NZ 3.16Å; H69-K96 PolarHBondContact NE2-NZ 3.4Å |
| 70 | S | 97.9 | Very high | 97.7 | Very high | 17 Ų | 17 | 54 Ų | 54 | 12% | 0.119 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.8 | -41.3 | 174.6 | 174.2 | 0 | 0 | 0 | 0 | 112 | F21 V66 K67 A68 R74 | F21-S70 WeakPolarHBondContact CB-OG 3.49Å; V66-S70 PolarHBondContact O-N 3.04Å; K67-S70 WeakPolarHBondContact O-CB 3.37Å; K67-S70 PolarHBondContact O-N 2.89Å; A68-S70 VanDerWaalsContact C-N 3.34Å; A68-S70 PolarHBondContact O-N 3Å; S70-R74 PolarHBondContact O-N 2.9Å; S70-R74 VanDerWaalsContact O-N 3.08Å |
| 71 | Q | 97.6 | Very high | 97.6 | Very high | 105 Ų | 105 | 53.2 Ų | 53.2 | 49% | 0.491 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -68.8 | -41.6 | 175.1 | -62.4 | -53.7 | -41.2 | 0 | 0 | 112.4 | K67 A68 H69 H73 R74 V75 | K67-Q71 PolarHBondContact O-N 3.37Å; K67-Q71 VanDerWaalsContact O-N 3.12Å; A68-Q71 PolarHBondContact O-N 2.88Å; A68-Q71 VanDerWaalsContact O-N 3.17Å; H69-Q71 VanDerWaalsContact C-N 3.3Å; H69-Q71 PolarHBondContact O-N 2.92Å; Q71-H73 PolarHBondContact O-N 2.9Å; Q71-R74 WeakPolarHBondContact O-CB 3.37Å; Q71-R74 PolarHBondContact O-N 3.22Å; Q71-V75 PolarHBondContact O-N 3.05Å; Q71-V75 VanDerWaalsContact O-N 3.11Å |
| 72 | T | 97.4 | Very high | 97.6 | Very high | 68 Ų | 68 | 54.7 Ų | 54.7 | 42% | 0.417 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -57.7 | -49.5 | 174 | -56.4 | 0 | 0 | 0 | 0 | 110.9 | A68 H69 R74 V75 D76 | A68-T72 PolarHBondContact O-N 3.29Å; A68-T72 PolarHBondContact O-OG1 3.18Å; H69-T72 PolarHBondContact O-N 2.68Å; T72-R74 VanDerWaalsContact C-N 3.27Å; T72-R74 PolarHBondContact O-N 3.27Å; T72-V75 WeakPolarHBondContact O-CB 3.27Å; T72-V75 PolarHBondContact O-N 2.8Å; T72-D76 PolarHBondContact O-N 2.81Å |
| 73 | H | 97.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.1 | -31.8 | 179.3 | -82.7 | -126.3 | 0 | 0 | 0 | 112.9 | F21 H69 Q71 D76 L77 Y115 | F21-H73 HydrophobicContact CD2-CB 4.06Å; F21-H73 HydrophobicContact CE2-CB 4.05Å; F21-H73 AromaticContact CE2-CD2 3.92Å; F21-H73 AromaticContact CE2-CG 3.67Å; F21-H73 AromaticContact CE2-ND1 3.77Å; H69-H73 PolarHBondContact O-CD2 2.96Å; H69-H73 PolarHBondContact O-N 3.03Å; Q71-H73 PolarHBondContact O-N 2.9Å; H73-D76 PolarHBondContact O-N 2.86Å; H73-L77 WeakPolarHBondContact O-CG 3.3Å; H73-L77 PolarHBondContact O-N 2.88Å; H73-Y115 AromaticContact NE2-CE1 3.99Å |
| 74 | R | 97.1 | Very high | 97.5 | Very high | 110 Ų | 110 | 59.4 Ų | 59.4 | 42% | 0.415 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.6 | -45 | 172.1 | 173.1 | -169.3 | 166.4 | 153 | 17.9 | 111.1 | E18 P19 S70 Q71 T72 G78 | E18-R74 IonicContact OE1-CZ 3.69Å; E18-R74 IonicContact OE1-NH1 3.65Å; E18-R74 PolarHBondContact OE1-NH1 3.42Å; E18-R74 IonicContact OE1-NH2 2.71Å; E18-R74 PolarHBondContact OE1-NH2 2.77Å; E18-R74 WeakPolarHBondContact OE2-CD 3.42Å; E18-R74 IonicContact OE2-CZ 2.69Å; E18-R74 IonicContact OE2-NE 3.36Å; E18-R74 PolarHBondContact OE2-NE 2.87Å; E18-R74 IonicContact OE2-NH1 3.01Å; E18-R74 PolarHBondContact OE2-NH1 3.5Å; E18-R74 IonicContact OE2-NH2 3.2Å; E18-R74 PolarHBondContact OE2-NH2 3.41Å; P19-R74 HydrophobicContact CG-CG 4.33Å; S70-R74 PolarHBondContact O-N 2.9Å; S70-R74 VanDerWaalsContact O-N 3.08Å; Q71-R74 WeakPolarHBondContact O-CB 3.37Å; Q71-R74 PolarHBondContact O-N 3.22Å; T72-R74 VanDerWaalsContact C-N 3.27Å; T72-R74 PolarHBondContact O-N 3.27Å; R74-G78 PolarHBondContact O-N 2.83Å |
| 75 | V | 97.2 | Very high | 97.4 | Very high | 91 Ų | 91 | 58.5 Ų | 58.5 | 55% | 0.552 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -66.5 | -40.6 | 176.4 | 175.9 | 0 | 0 | 0 | 0 | 110.9 | Q71 T72 L77 G78 T79 | Q71-V75 PolarHBondContact O-N 3.05Å; Q71-V75 VanDerWaalsContact O-N 3.11Å; T72-V75 WeakPolarHBondContact O-CB 3.27Å; T72-V75 PolarHBondContact O-N 2.8Å; V75-L77 PolarHBondContact O-N 3.3Å; V75-G78 PolarHBondContact O-N 2.98Å; V75-T79 PolarHBondContact O-N 2.98Å; V75-T79 PolarHBondContact O-OG1 2.91Å |
| 76 | D | 97.4 | Very high | 97.3 | Very high | 41 Ų | 41 | 56.4 Ų | 56.4 | 22% | 0.219 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.7 | -42.3 | 178.3 | -65.2 | -22.8 | 0 | 0 | 0 | 111.4 | T72 H73 G78 T79 L80 | T72-D76 PolarHBondContact O-N 2.81Å; H73-D76 PolarHBondContact O-N 2.86Å; D76-G78 VanDerWaalsContact C-N 3.3Å; D76-G78 PolarHBondContact O-N 2.87Å; D76-T79 PolarHBondContact O-N 3.28Å; D76-L80 HydrophobicContact CB-CD1 4.41Å; D76-L80 WeakPolarHBondContact O-CB 3.45Å; D76-L80 VanDerWaalsContact O-CG 3.26Å; D76-L80 WeakPolarHBondContact O-CG 3.38Å; D76-L80 PolarHBondContact O-N 3Å |
| 77 | L | 97.7 | Very high | 97.1 | Very high | 9 Ų | 9 | 60 Ų | 60 | 5% | 0.047 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -56.1 | -43.4 | 175.2 | -81.4 | 164.4 | 0 | 0 | 0 | 112.2 | S10 P19 H73 V75 R81 H92 V94 Y117 | S10-L77 VanDerWaalsContact OG-CD1 3.29Å; S10-L77 WeakPolarHBondContact OG-CD1 3.35Å; P19-L77 HydrophobicContact CB-CD1 3.58Å; P19-L77 HydrophobicContact CG-CD1 3.65Å; H73-L77 WeakPolarHBondContact O-CG 3.3Å; H73-L77 PolarHBondContact O-N 2.88Å; V75-L77 PolarHBondContact O-N 3.3Å; L77-R81 VanDerWaalsContact O-CB 3.25Å; L77-R81 WeakPolarHBondContact O-CB 3.38Å; L77-R81 PolarHBondContact O-N 2.99Å; L77-R81 VanDerWaalsContact O-N 3.16Å; L77-H92 HydrophobicContact CD2-CB 3.99Å; L77-H92 WeakPolarHBondContact CD2-O 3.47Å; L77-V94 HydrophobicContact CD2-CB 4.35Å; L77-V94 HydrophobicContact CD2-CG2 3.67Å; L77-V94 HydrophobicContact CG-CB 4.42Å; L77-V94 HydrophobicContact CG-CG2 3.83Å; L77-Y117 HydrophobicContact CD2-CE2 4.39Å |
| 78 | G | 95.9 | Very high | 96.8 | Very high | 36 Ų | 36 | 62.5 Ų | 62.5 | 37% | 0.371 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -69.1 | -40.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | R74 V75 D76 G82 | R74-G78 PolarHBondContact O-N 2.83Å; V75-G78 PolarHBondContact O-N 2.98Å; D76-G78 VanDerWaalsContact C-N 3.3Å; D76-G78 PolarHBondContact O-N 2.87Å; G78-G82 PolarHBondContact O-N 2.88Å; G78-G82 VanDerWaalsContact O-N 3.17Å |
| 79 | T | 97.1 | Very high | 96.5 | Very high | 53 Ų | 53 | 64 Ų | 64 | 33% | 0.325 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65.3 | -48.2 | 179.6 | -58.4 | 0 | 0 | 0 | 0 | 111.5 | V75 D76 G82 Y83 | V75-T79 PolarHBondContact O-N 2.98Å; V75-T79 PolarHBondContact O-OG1 2.91Å; D76-T79 PolarHBondContact O-N 3.28Å; T79-G82 WeakPolarHBondContact O-CA 3.03Å; T79-G82 PolarHBondContact O-N 2.03Å; T79-Y83 HydrophobicContact CG2-CD1 4.44Å; T79-Y83 HydrophobicContact CG2-CD2 4.34Å; T79-Y83 HydrophobicContact CG2-CE1 3.89Å; T79-Y83 HydrophobicContact CG2-CE2 3.78Å; T79-Y83 PolarHBondContact O-N 3.28Å |
| 80 | L | 97.8 | Very high | 96.3 | Very high | 10 Ų | 10 | 62.9 Ų | 62.9 | 5% | 0.052 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65.5 | -44.5 | -179.3 | -69 | 165.3 | 0 | 0 | 0 | 111 | D76 G82 Y83 Y84 V94 Y117 Y122 | D76-L80 HydrophobicContact CB-CD1 4.41Å; D76-L80 WeakPolarHBondContact O-CB 3.45Å; D76-L80 VanDerWaalsContact O-CG 3.26Å; D76-L80 WeakPolarHBondContact O-CG 3.38Å; D76-L80 PolarHBondContact O-N 3Å; L80-G82 PolarHBondContact O-N 2.8Å; L80-Y83 HydrophobicContact CD2-CD2 4.4Å; L80-Y83 PolarHBondContact O-N 3.3Å; L80-Y84 HydrophobicContact CD2-CE2 4.24Å; L80-Y84 WeakPolarHBondContact O-CD2 3.37Å; L80-Y84 PolarHBondContact O-N 2.82Å; L80-V94 HydrophobicContact CD1-CG2 3.55Å; L80-Y117 HydrophobicContact CB-CD1 4.29Å; L80-Y117 HydrophobicContact CB-CD2 4.08Å; L80-Y117 HydrophobicContact CB-CE1 4Å; L80-Y117 HydrophobicContact CB-CE2 3.77Å; L80-Y117 HydrophobicContact CB-CG 4.32Å; L80-Y117 HydrophobicContact CD1-CD2 3.65Å; L80-Y117 HydrophobicContact CD1-CE2 4.07Å; L80-Y117 HydrophobicContact CD1-CG 4.04Å; L80-Y117 HydrophobicContact CG-CD2 4.44Å; L80-Y122 HydrophobicContact CD2-CD1 4.28Å; L80-Y122 HydrophobicContact CD2-CD2 4.06Å; L80-Y122 HydrophobicContact CD2-CE1 3.69Å; L80-Y122 HydrophobicContact CD2-CE2 3.43Å; L80-Y122 VanDerWaalsContact CD2-CE2 3.43Å; L80-Y122 HydrophobicContact CD2-CG 4.46Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.25Å |
| 81 | R | 96.6 | Very high | 96.2 | Very high | 71 Ų | 71 | 65.6 Ų | 65.6 | 27% | 0.268 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -52.6 | -41.8 | 172.9 | -174.2 | -173.4 | 67.7 | 176.1 | 10.7 | 111.6 | L77 N85 Q86 E88 Y117 | L77-R81 VanDerWaalsContact O-CB 3.25Å; L77-R81 WeakPolarHBondContact O-CB 3.38Å; L77-R81 PolarHBondContact O-N 2.99Å; L77-R81 VanDerWaalsContact O-N 3.16Å; R81-N85 PolarHBondContact O-N 2.73Å; R81-N85 VanDerWaalsContact O-N 3.15Å; R81-Q86 HydrophobicContact CG-CB 3.83Å; R81-Q86 WeakPolarHBondContact CG-O 3.35Å; R81-Q86 PolarHBondContact O-N 2.79Å; R81-E88 IonicContact CZ-OE1 3.27Å; R81-E88 IonicContact NH1-OE1 3.81Å; R81-E88 PolarHBondContact NH1-OE1 2.87Å; R81-E88 IonicContact NH2-OE1 3.02Å; R81-E88 PolarHBondContact NH2-OE1 2.95Å; R81-Y117 PolarHBondContact N-OH 3.49Å |
| 82 | G | 96.4 | Very high | 96.3 | Very high | 43 Ų | 43 | 61.3 Ų | 61.3 | 44% | 0.443 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.9 | -48.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | G78 T79 L80 Y84 N85 | G78-G82 PolarHBondContact O-N 2.88Å; G78-G82 VanDerWaalsContact O-N 3.17Å; T79-G82 WeakPolarHBondContact O-CA 3.03Å; T79-G82 PolarHBondContact O-N 2.03Å; L80-G82 PolarHBondContact O-N 2.8Å; G82-Y84 PolarHBondContact O-N 2.94Å; G82-N85 PolarHBondContact O-N 3.26Å; G82-N85 VanDerWaalsContact O-N 3.09Å; G82-N85 PolarHBondContact O-OD1 2.98Å |
| 83 | Y | 97.3 | Very high | 96.3 | Very high | 63 Ų | 63 | 59.8 Ų | 59.8 | 25% | 0.247 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -59.7 | -34.8 | 178.5 | -68.8 | -10.7 | 0 | 0 | 0 | 113.3 | T79 L80 A138 T141 K145 | T79-Y83 HydrophobicContact CG2-CD1 4.44Å; T79-Y83 HydrophobicContact CG2-CD2 4.34Å; T79-Y83 HydrophobicContact CG2-CE1 3.89Å; T79-Y83 HydrophobicContact CG2-CE2 3.78Å; T79-Y83 PolarHBondContact O-N 3.28Å; L80-Y83 HydrophobicContact CD2-CD2 4.4Å; L80-Y83 PolarHBondContact O-N 3.3Å; Y83-A138 HydrophobicContact CD2-CB 4.5Å; Y83-T141 HydrophobicContact CE1-CG2 4.18Å; Y83-T141 HydrophobicContact CE2-CG2 4.11Å; Y83-K145 PolarHBondContact OH-NZ 2.87Å |
| 84 | Y | 97.3 | Very high | 96.4 | Very high | 67 Ų | 67 | 59.8 Ų | 59.8 | 26% | 0.263 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | 4.1 | 178.6 | -68.8 | -72.7 | 0 | 0 | 0 | 113.8 | L80 G82 Q86 Y117 Y122 D136 A138 | L80-Y84 HydrophobicContact CD2-CE2 4.24Å; L80-Y84 WeakPolarHBondContact O-CD2 3.37Å; L80-Y84 PolarHBondContact O-N 2.82Å; G82-Y84 PolarHBondContact O-N 2.94Å; Y84-Q86 PolarHBondContact O-N 3.19Å; Y84-Y117 AromaticContact CD2-CD1 3.69Å; Y84-Y117 HydrophobicContact CD2-CD1 3.69Å; Y84-Y117 AromaticContact CD2-CE1 3.49Å; Y84-Y117 HydrophobicContact CD2-CE1 3.49Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.49Å; Y84-Y117 AromaticContact CE2-CD1 3.5Å; Y84-Y117 HydrophobicContact CE2-CD1 3.5Å; Y84-Y117 VanDerWaalsContact CE2-CD1 3.5Å; Y84-Y117 AromaticContact CE2-CE1 3.84Å; Y84-Y117 HydrophobicContact CE2-CE1 3.84Å; Y84-Y117 HydrophobicContact CE2-CG 4.47Å; Y84-Y117 HydrophobicContact CG-CE1 4.38Å; Y84-Y122 HydrophobicContact CE2-CD2 4.44Å; Y84-Y122 HydrophobicContact CE2-CE2 4.2Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.16Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.27Å; Y84-D136 VanDerWaalsContact CE1-OD2 3.22Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.12Å; Y84-D136 VanDerWaalsContact OH-CG 3.23Å; Y84-D136 PolarHBondContact OH-OD1 2.85Å; Y84-D136 VanDerWaalsContact OH-OD1 3.13Å; Y84-D136 PolarHBondContact OH-OD2 3.31Å; Y84-A138 HydrophobicContact CD1-CB 4.17Å; Y84-A138 HydrophobicContact CD2-CB 4.45Å; Y84-A138 HydrophobicContact CE1-CB 3.61Å; Y84-A138 HydrophobicContact CE2-CB 3.91Å; Y84-A138 VanDerWaalsContact CZ-CB 3.47Å |
| 85 | N | 96.3 | Very high | 96.4 | Very high | 152 Ų | 152 | 58.1 Ų | 58.1 | 81% | 0.813 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 40.2 | -177.7 | -58.5 | -55.5 | 0 | 0 | 0 | 113.4 | R81 G82 | R81-N85 PolarHBondContact O-N 2.73Å; R81-N85 VanDerWaalsContact O-N 3.15Å; G82-N85 PolarHBondContact O-N 3.26Å; G82-N85 VanDerWaalsContact O-N 3.09Å; G82-N85 PolarHBondContact O-OD1 2.98Å |
| 86 | Q | 96.7 | Very high | 96.5 | Very high | 60 Ų | 60 | 54.5 Ų | 54.5 | 28% | 0.28 | 32% | 0.319 | S | S | . | . | trans | -89.3 | 151.7 | -176.1 | -70.5 | 166.4 | -34.7 | 0 | 0 | 112.1 | R81 Y84 H92 Y117 D118 | R81-Q86 HydrophobicContact CG-CB 3.83Å; R81-Q86 WeakPolarHBondContact CG-O 3.35Å; R81-Q86 PolarHBondContact O-N 2.79Å; Y84-Q86 PolarHBondContact O-N 3.19Å; Q86-H92 PolarHBondContact NE2-CE1 2.83Å; Q86-H92 PolarHBondContact OE1-CE1 2.97Å; Q86-H92 VanDerWaalsContact OE1-CE1 3.22Å; Q86-Y117 PolarHBondContact OE1-OH 3.42Å; Q86-D118 PolarHBondContact NE2-OD2 2.83Å | ||
| 87 | S | 94.4 | Very high | 96.6 | Very high | 78 Ų | 78 | 53.7 Ų | 53.7 | 55% | 0.545 | 31% | 0.314 | S | S | . | . | trans | -69.9 | 151.8 | -178.6 | 76.3 | 0 | 0 | 0 | 0 | 112.9 | A89 G90 | S87-A89 PolarHBondContact O-N 2.92Å; S87-G90 PolarHBondContact O-N 2.99Å | ||
| 88 | E | 90.8 | Very high | 96.6 | Very high | 137 Ų | 137 | 54.3 Ų | 54.3 | 64% | 0.64 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -19.6 | 176.4 | -55.2 | -154.1 | 125.6 | 0 | 0 | 114.4 | P14 R81 G90 | P14-E88 WeakPolarHBondContact CB-O 3.22Å; P14-E88 WeakPolarHBondContact CG-O 3.11Å; R81-E88 IonicContact CZ-OE1 3.27Å; R81-E88 IonicContact NH1-OE1 3.81Å; R81-E88 PolarHBondContact NH1-OE1 2.87Å; R81-E88 IonicContact NH2-OE1 3.02Å; R81-E88 PolarHBondContact NH2-OE1 2.95Å; E88-G90 VanDerWaalsContact C-N 3.27Å; E88-G90 PolarHBondContact O-N 3.42Å |
| 89 | A | 92.1 | Very high | 96.7 | Very high | 87 Ų | 87 | 52.6 Ų | 52.6 | 72% | 0.719 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -15.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | S87 | S87-A89 PolarHBondContact O-N 2.92Š|
| 90 | G | 93.1 | Very high | 96.8 | Very high | 22 Ų | 22 | 50 Ų | 50 | 23% | 0.227 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -76 | 134.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | P14 S87 E88 H92 | P14-G90 WeakPolarHBondContact CG-O 3.32Å; S87-G90 PolarHBondContact O-N 2.99Å; E88-G90 VanDerWaalsContact C-N 3.27Å; E88-G90 PolarHBondContact O-N 3.42Å; G90-H92 PolarHBondContact O-CD2 3.29Å |
| 91 | S | 97.2 | Very high | 96.9 | Very high | 75 Ų | 75 | 50.8 Ų | 50.8 | 52% | 0.524 | 29% | 0.286 | S | S | . | . | trans | -82.5 | 133.6 | 164.8 | -177.9 | 0 | 0 | 0 | 0 | 108.8 | S12 | S12-S91 PolarHBondContact O-OG 3.42Š| ||
| 92 | H | 98.1 | Very high | 96.9 | Very high | 15 Ų | 15 | 47.4 Ų | 47.4 | 7% | 0.069 | 27% | 0.274 | C | S | . | . | trans | -131 | 153 | -175.2 | -64.8 | -73.2 | 0 | 0 | 0 | 110.2 | V11 S12 L77 Q86 G90 Y117 D118 | V11-H92 WeakPolarHBondContact CA-O 3.4Å; S12-H92 PolarHBondContact N-O 2.93Å; S12-H92 PolarHBondContact OG-N 2.85Å; S12-H92 PolarHBondContact OG-O 3.34Å; L77-H92 HydrophobicContact CD2-CB 3.99Å; L77-H92 WeakPolarHBondContact CD2-O 3.47Å; Q86-H92 PolarHBondContact NE2-CE1 2.83Å; Q86-H92 PolarHBondContact OE1-CE1 2.97Å; Q86-H92 VanDerWaalsContact OE1-CE1 3.22Å; G90-H92 PolarHBondContact O-CD2 3.29Å; H92-Y117 HydrophobicContact CB-CE2 3.87Å; H92-Y117 WeakPolarHBondContact CB-OH 2.94Å; H92-Y117 VanDerWaalsContact CG-OH 3.23Å; H92-Y117 AromaticContact ND1-CZ 3.92Å; H92-Y117 PolarHBondContact ND1-OH 3.01Å; H92-D118 WeakPolarHBondContact CA-OD1 3.5Å; H92-D118 WeakPolarHBondContact CB-OD1 3.18Å; H92-D118 IonicContact CE1-OD2 3.5Å; H92-D118 IonicContact CG-OD1 3.2Å; H92-D118 IonicContact CG-OD2 2.75Å; H92-D118 IonicContact ND1-OD1 2.82Å; H92-D118 IonicContact ND1-OD2 3Å; H92-D118 PolarHBondContact ND1-OD2 3.18Å | ||
| 93 | T | 98.6 | Very high | 96.9 | Very high | 35 Ų | 35 | 45.7 Ų | 45.7 | 22% | 0.215 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 128.3 | -175.9 | -57 | 0 | 0 | 0 | 0 | 111 | T9 S10 V11 Q95 Y117 D118 | T9-T93 HydrophobicContact CG2-CG2 3.92Å; S10-T93 CarbonylContact O-C 3.55Å; S10-T93 VanDerWaalsContact O-CA 3.31Å; S10-T93 WeakPolarHBondContact O-CA 3.18Å; V11-T93 HydrophobicContact CG2-CG2 4.18Å; T93-Q95 HydrophobicContact CG2-CG 3.97Å; T93-Y117 CarbonylContact O-C 3.55Å; T93-Y117 WeakPolarHBondContact O-CA 3.35Å; T93-Y117 VanDerWaalsContact O-CD2 3.23Å; T93-Y117 WeakPolarHBondContact O-CD2 3.17Å; T93-D118 PolarHBondContact N-OD1 3.3Å; T93-D118 PolarHBondContact O-N 3.21Å |
| 94 | V | 98.6 | Very high | 96.6 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.006 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 124.6 | 168.4 | 173.1 | 0 | 0 | 0 | 0 | 108.6 | T9 S10 L77 L80 Y115 Y117 | T9-V94 WeakPolarHBondContact CA-O 3.26Å; S10-V94 PolarHBondContact N-O 2.62Å; S10-V94 PolarHBondContact O-N 2.92Å; L77-V94 HydrophobicContact CD2-CB 4.35Å; L77-V94 HydrophobicContact CD2-CG2 3.67Å; L77-V94 HydrophobicContact CG-CB 4.42Å; L77-V94 HydrophobicContact CG-CG2 3.83Å; L80-V94 HydrophobicContact CD1-CG2 3.55Å; V94-Y115 HydrophobicContact CG1-CD1 4.06Å; V94-Y115 HydrophobicContact CG1-CE1 4.5Å; V94-Y117 HydrophobicContact CG2-CD2 3.68Å; V94-Y117 HydrophobicContact CG2-CE2 4.02Å |
| 95 | Q | 98.8 | Very high | 96.3 | Very high | 74 Ų | 74 | 48.5 Ų | 48.5 | 35% | 0.346 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 143.3 | 175.4 | -67.9 | 168 | -81.4 | 0 | 0 | 109.9 | F8 T9 T93 Y115 A116 | F8-Q95 CarbonylContact O-C 3.57Å; F8-Q95 VanDerWaalsContact O-CA 3.27Å; F8-Q95 WeakPolarHBondContact O-CA 3.42Å; T9-Q95 HydrophobicContact CG2-CG 3.98Å; T93-Q95 HydrophobicContact CG2-CG 3.97Å; Q95-Y115 CarbonylContact O-C 3.52Å; Q95-Y115 WeakPolarHBondContact O-CA 3.5Å; Q95-A116 HydrophobicContact CB-CB 4.28Å; Q95-A116 PolarHBondContact N-O 2.83Å; Q95-A116 PolarHBondContact O-N 3.44Å |
| 96 | K | 98.6 | Very high | 96.1 | Very high | 16 Ų | 16 | 45.5 Ų | 45.5 | 7% | 0.07 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 134.3 | 173.5 | -179.2 | -168.5 | -174.4 | 176.8 | 0 | 108.9 | F7 F8 H69 Y98 Q114 Y115 | F7-K96 CarbonylContact C-O 3.52Å; F7-K96 WeakPolarHBondContact CA-O 3.27Å; F8-K96 HydrophobicContact CB-CB 4.27Å; F8-K96 HydrophobicContact CD2-CD 3.98Å; F8-K96 PolarHBondContact N-O 2.84Å; F8-K96 PolarHBondContact O-N 3.31Å; H69-K96 PolarHBondContact CD2-NZ 3.16Å; H69-K96 PolarHBondContact NE2-NZ 3.4Å; K96-Y98 HydrophobicContact CD-CD1 3.99Å; K96-Y98 HydrophobicContact CD-CE1 4.4Å; K96-Y98 HydrophobicContact CG-CD1 4.27Å; K96-Q114 CarbonylContact C-O 3.59Å; K96-Q114 WeakPolarHBondContact CA-O 3.46Å; K96-Y115 HydrophobicContact CB-CD1 3.92Å; K96-Y115 HydrophobicContact CB-CE1 3.73Å; K96-Y115 HydrophobicContact CB-CE2 4.5Å; K96-Y115 HydrophobicContact CB-CG 4.41Å; K96-Y115 HydrophobicContact CD-CE1 3.94Å; K96-Y115 HydrophobicContact CD-CE2 4.04Å; K96-Y115 WeakPolarHBondContact CD-OH 3.25Å; K96-Y115 VanDerWaalsContact CE-OH 3.31Å; K96-Y115 WeakPolarHBondContact CE-OH 3.38Å; K96-Y115 HydrophobicContact CG-CD1 4.26Å; K96-Y115 HydrophobicContact CG-CD2 4.25Å; K96-Y115 HydrophobicContact CG-CE1 3.85Å; K96-Y115 HydrophobicContact CG-CE2 3.81Å; K96-Y115 HydrophobicContact CG-CG 4.47Å; K96-Y115 PolarHBondContact NZ-OH 3.31Å |
| 97 | M | 98.7 | Very high | 96 | Very high | 23 Ų | 23 | 50.9 Ų | 50.9 | 11% | 0.113 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 133 | 165.3 | -175.6 | -80.5 | -76.9 | 0 | 0 | 109.1 | Y6 F7 Y112 H113 Q114 | Y6-M97 WeakPolarHBondContact O-CA 3.37Å; F7-M97 HydrophobicContact CD1-CB 3.94Å; F7-M97 HydrophobicContact CD1-CG 3.62Å; F7-M97 HydrophobicContact CE1-CB 4.11Å; F7-M97 HydrophobicContact CE1-CG 3.36Å; F7-M97 HydrophobicContact CG-CG 4.41Å; F7-M97 HydrophobicContact CZ-CG 3.97Å; M97-Y112 HydrophobicContact CE-CD1 4.21Å; M97-Y112 HydrophobicContact CE-CG 4.19Å; M97-Y112 HydrophobicContact SD-CG 4.47Å; M97-H113 WeakPolarHBondContact O-CA 3.32Å; M97-Q114 HydrophobicContact CB-CG 4.05Å; M97-Q114 VanDerWaalsContact CE-CD 3.45Å; M97-Q114 HydrophobicContact CE-CG 3.99Å; M97-Q114 PolarHBondContact N-O 3.34Å; M97-Q114 PolarHBondContact O-N 3.24Å |
| 98 | Y | 98.7 | Very high | 96.2 | Very high | 22 Ų | 22 | 49.9 Ų | 49.9 | 9% | 0.086 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 158.6 | 170.1 | 71.1 | -82.8 | 0 | 0 | 0 | 111.1 | Y6 F8 K96 Y112 Y158 | Y6-Y98 HydrophobicContact CD2-CD2 4.43Å; Y6-Y98 AromaticContact CD2-CE2 3.65Å; Y6-Y98 HydrophobicContact CD2-CE2 3.65Å; Y6-Y98 AromaticContact CD2-CZ 3.7Å; Y6-Y98 HydrophobicContact CE2-CE2 4.39Å; Y6-Y98 HydrophobicContact CG-CE1 4.24Å; Y6-Y98 HydrophobicContact CG-CE2 4.19Å; Y6-Y98 AromaticContact CG-CZ 3.76Å; Y6-Y98 PolarHBondContact N-O 3.23Å; Y6-Y98 PolarHBondContact O-N 3.42Å; Y6-Y98 VanDerWaalsContact O-N 3.1Å; F8-Y98 HydrophobicContact CD2-CE1 4.23Å; F8-Y98 HydrophobicContact CE1-CE1 4.18Å; F8-Y98 AromaticContact CE2-CE1 3.54Å; F8-Y98 HydrophobicContact CE2-CE1 3.54Å; F8-Y98 AromaticContact CZ-CE1 3.52Å; F8-Y98 HydrophobicContact CZ-CE1 3.52Å; F8-Y98 AromaticContact CZ-CZ 3.89Å; F8-Y98 WeakPolarHBondContact CZ-OH 3.39Å; K96-Y98 HydrophobicContact CD-CD1 3.99Å; K96-Y98 HydrophobicContact CD-CE1 4.4Å; K96-Y98 HydrophobicContact CG-CD1 4.27Å; Y98-Y112 CarbonylContact C-O 3.49Å; Y98-Y112 WeakPolarHBondContact CA-O 3.42Å; Y98-Y112 VanDerWaalsContact CB-O 3.27Å; Y98-Y112 WeakPolarHBondContact CB-O 3.31Å; Y98-Y158 AromaticContact CD2-CE1 3.93Å; Y98-Y158 HydrophobicContact CD2-CE1 3.93Å; Y98-Y158 AromaticContact CE2-CE1 3.86Å; Y98-Y158 HydrophobicContact CE2-CE1 3.86Å |
| 99 | G | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 160.8 | -176.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | M4 G111 Y112 L159 | M4-G99 CarbonylContact O-C 3.58Å; M4-G99 WeakPolarHBondContact O-CA 3.46Å; G99-G111 CarbonylContact O-C 3.55Å; G99-G111 WeakPolarHBondContact O-CA 3.29Å; G99-Y112 PolarHBondContact N-O 2.9Å; G99-Y112 PolarHBondContact O-N 2.95Å; G99-L159 VanDerWaalsContact O-CD2 3.24Å; G99-L159 WeakPolarHBondContact O-CD2 2.88Å |
| 100 | C | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 152.9 | -176.1 | 55.8 | 0 | 0 | 0 | 0 | 111.5 | S3 M4 F108 R110 C163 | S3-C100 WeakPolarHBondContact CA-O 3.28Å; M4-C100 PolarHBondContact N-O 2.7Å; M4-C100 PolarHBondContact O-N 2.68Å; C100-F108 HydrophobicContact CB-CD2 4.43Å; C100-F108 HydrophobicContact CB-CE2 4.16Å; C100-R110 CarbonylContact C-O 3.44Å; C100-R110 VanDerWaalsContact CA-O 3.29Å; C100-R110 WeakPolarHBondContact CA-O 3.31Å; C100-C163 HydrophobicContact CB-CB 3.9Å; C100-C163 WeakPolarHBondContact CB-SG 3.49Å; C100-C163 PolarHBondContact N-SG 3.29Å; C100-C163 VanDerWaalsContact N-SG 3.38Å; C100-C163 WeakPolarHBondContact SG-CB 3.42Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 2.8Å |
| 101 | D | 98.4 | Very high | 97 | Very high | 26 Ų | 26 | 47.9 Ų | 47.9 | 14% | 0.139 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 143.2 | 174.1 | -60.1 | -12.4 | 0 | 0 | 0 | 109.7 | H2 S3 R5 L109 R110 Y112 | H2-D101 CarbonylContact O-C 3.48Å; H2-D101 WeakPolarHBondContact O-CA 3.38Å; S3-D101 WeakPolarHBondContact CB-OD1 3.27Å; R5-D101 IonicContact CZ-OD1 3.69Å; R5-D101 IonicContact NE-OD1 2.7Å; R5-D101 PolarHBondContact NE-OD1 3.17Å; R5-D101 IonicContact NH2-OD1 3.04Å; R5-D101 PolarHBondContact NH2-OD1 2.94Å; R5-D101 IonicContact NH2-OD2 3.57Å; R5-D101 PolarHBondContact NH2-OD2 3.41Å; D101-L109 HydrophobicContact CB-CB 4.34Å; D101-L109 PolarHBondContact O-N 3.2Å; D101-R110 HydrophobicContact CB-CB 4.34Å; D101-R110 PolarHBondContact N-O 3.29Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.38Å; D101-Y112 PolarHBondContact OD2-OH 3.12Å |
| 102 | V | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 145.6 | 175 | -61.5 | 0 | 0 | 0 | 0 | 111.7 | S1 H2 W106 R107 V164 L167 | S1-V102 WeakPolarHBondContact CA-O 3.41Å; S1-V102 VanDerWaalsContact CB-O 3.29Å; S1-V102 WeakPolarHBondContact CB-O 3.49Å; H2-V102 HydrophobicContact CB-CG2 3.99Å; H2-V102 PolarHBondContact N-O 3.23Å; H2-V102 PolarHBondContact O-N 2.95Å; V102-W106 HydrophobicContact CG2-CE3 4.29Å; V102-R107 CarbonylContact C-O 3.57Å; V102-R107 WeakPolarHBondContact CA-O 3.5Å; V102-V164 HydrophobicContact CG1-CB 4.37Å; V102-V164 HydrophobicContact CG1-CG1 3.85Å; V102-V164 HydrophobicContact CG1-CG2 3.99Å; V102-L167 HydrophobicContact CB-CD2 4.42Å; V102-L167 HydrophobicContact CG1-CD2 3.97Å; V102-L167 HydrophobicContact CG2-CD2 3.71Å; V102-L167 HydrophobicContact CG2-CG 4.31Å |
| 103 | G | 95.8 | Very high | 97.1 | Very high | 6 Ų | 6 | 46 Ų | 46 | 6% | 0.062 | 22% | 0.221 | C | C | . | . | trans | -70.9 | 174.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | D105 W106 R107 L109 | G103-D105 PolarHBondContact O-N 2.72Å; G103-W106 PolarHBondContact O-N 2.89Å; G103-R107 PolarHBondContact N-O 3.02Å; G103-L109 VanDerWaalsContact CA-CD1 3.46Å; G103-L109 VanDerWaalsContact N-CD1 3.34Å | ||
| 104 | S | 91.1 | Very high | 97.1 | Very high | 108 Ų | 108 | 47.9 Ų | 47.9 | 76% | 0.755 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -21.4 | 170.3 | 47.8 | 0 | 0 | 0 | 0 | 112.8 | W106 | S104-W106 VanDerWaalsContact C-N 3.27Š|
| 105 | D | 92 | Very high | 97.1 | Very high | 82 Ų | 82 | 49 Ų | 49 | 44% | 0.439 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 10.7 | 173.5 | 71.3 | -18.6 | 0 | 0 | 0 | 113.4 | G103 R107 | G103-D105 PolarHBondContact O-N 2.72Å; D105-R107 PolarHBondContact O-N 3.13Å; D105-R107 VanDerWaalsContact O-N 3.16Å; D105-R107 WeakPolarHBondContact OD1-CB 3.4Å; D105-R107 PolarHBondContact OD1-N 2.96Å; D105-R107 VanDerWaalsContact OD1-N 3.14Å; D105-R107 WeakPolarHBondContact OD2-CD 3.49Å; D105-R107 VanDerWaalsContact OD2-CG 3.29Å; D105-R107 WeakPolarHBondContact OD2-CG 3.36Å; D105-R107 IonicContact OD2-NE 3.69Å |
| 106 | W | 90.5 | Very high | 97.1 | Very high | 89 Ų | 89 | 46.3 Ų | 46.3 | 34% | 0.337 | 22% | 0.221 | S | C | . | . | S | Bend | trans | 66.3 | 6.3 | -179.5 | -52.2 | 102.2 | 0 | 0 | 0 | 115.3 | H2 V102 G103 S104 R168 L171 | H2-W106 AromaticContact CD2-CH2 3.98Å; H2-W106 AromaticContact CD2-CZ3 3.92Å; V102-W106 HydrophobicContact CG2-CE3 4.29Å; G103-W106 PolarHBondContact O-N 2.89Å; S104-W106 VanDerWaalsContact C-N 3.27Å; W106-R168 HydrophobicContact CE3-CG 4.2Å; W106-R168 PolarHBondContact O-NE 2.94Å; W106-R168 VanDerWaalsContact O-NE 3.13Å; W106-R168 PolarHBondContact O-NH2 3.05Å; W106-L171 HydrophobicContact CE3-CD1 4.49Å; W106-L171 HydrophobicContact CH2-CB 4.22Å; W106-L171 HydrophobicContact CH2-CD1 4.14Å; W106-L171 HydrophobicContact CZ3-CB 4.13Å; W106-L171 HydrophobicContact CZ3-CD1 3.48Å; W106-L171 VanDerWaalsContact CZ3-CD1 3.48Å; W106-L171 HydrophobicContact CZ3-CG 4.39Å |
| 107 | R | 95.6 | Very high | 97.1 | Very high | 172 Ų | 172 | 46 Ų | 46 | 65% | 0.649 | 22% | 0.22 | S | C | * | . | trans | -81.5 | 149.1 | -179.9 | -63.7 | -172 | -175.4 | 178.4 | -2.1 | 111.2 | V102 G103 D105 L109 | V102-R107 CarbonylContact C-O 3.57Å; V102-R107 WeakPolarHBondContact CA-O 3.5Å; G103-R107 PolarHBondContact N-O 3.02Å; D105-R107 PolarHBondContact O-N 3.13Å; D105-R107 VanDerWaalsContact O-N 3.16Å; D105-R107 WeakPolarHBondContact OD1-CB 3.4Å; D105-R107 PolarHBondContact OD1-N 2.96Å; D105-R107 VanDerWaalsContact OD1-N 3.14Å; D105-R107 WeakPolarHBondContact OD2-CD 3.49Å; D105-R107 VanDerWaalsContact OD2-CG 3.29Å; D105-R107 WeakPolarHBondContact OD2-CG 3.36Å; D105-R107 IonicContact OD2-NE 3.69Å; R107-L109 PolarHBondContact O-N 3.29Å | ||
| 108 | F | 98.1 | Very high | 97.1 | Very high | 58 Ų | 58 | 48 Ų | 48 | 25% | 0.254 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.9 | 129.2 | 173.2 | 178.1 | -99.6 | 0 | 0 | 0 | 110.5 | C100 R110 G111 L129 L159 E160 V164 | C100-F108 HydrophobicContact CB-CD2 4.43Å; C100-F108 HydrophobicContact CB-CE2 4.16Å; F108-R110 VanDerWaalsContact CE2-C 3.45Å; F108-R110 WeakPolarHBondContact CE2-O 3.4Å; F108-G111 VanDerWaalsContact CZ-N 3.29Å; F108-L129 HydrophobicContact CE1-CD1 3.93Å; F108-L129 HydrophobicContact CZ-CD1 3.65Å; F108-L159 WeakPolarHBondContact CD2-O 3.29Å; F108-L159 HydrophobicContact CE2-CB 4.46Å; F108-L159 WeakPolarHBondContact CE2-O 3.47Å; F108-E160 HydrophobicContact CD1-CG 4.05Å; F108-E160 HydrophobicContact CD2-CG 4.48Å; F108-E160 HydrophobicContact CE1-CG 3.9Å; F108-E160 HydrophobicContact CE2-CG 4.34Å; F108-E160 HydrophobicContact CG-CG 4.34Å; F108-E160 HydrophobicContact CZ-CG 4.05Å; F108-V164 HydrophobicContact CB-CG2 4.09Å; F108-V164 HydrophobicContact CD2-CG2 3.77Å; F108-V164 HydrophobicContact CG-CG2 4.42Å |
| 109 | L | 97.6 | Very high | 97 | Very high | 107 Ų | 107 | 49.8 Ų | 49.8 | 56% | 0.56 | 26% | 0.256 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.6 | -48.7 | 174.7 | -68.5 | -178.4 | 0 | 0 | 0 | 111.9 | D101 G103 R107 | D101-L109 HydrophobicContact CB-CB 4.34Å; D101-L109 PolarHBondContact O-N 3.2Å; G103-L109 VanDerWaalsContact CA-CD1 3.46Å; G103-L109 VanDerWaalsContact N-CD1 3.34Å; R107-L109 PolarHBondContact O-N 3.29Å |
| 110 | R | 97.9 | Very high | 97 | Very high | 92 Ų | 92 | 57.4 Ų | 57.4 | 35% | 0.347 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 147 | -171.6 | -171.7 | 162.9 | 170.1 | 144 | 7.8 | 111.4 | C100 D101 F108 Y112 E127 | C100-R110 CarbonylContact C-O 3.44Å; C100-R110 VanDerWaalsContact CA-O 3.29Å; C100-R110 WeakPolarHBondContact CA-O 3.31Å; D101-R110 HydrophobicContact CB-CB 4.34Å; D101-R110 PolarHBondContact N-O 3.29Å; F108-R110 VanDerWaalsContact CE2-C 3.45Å; F108-R110 WeakPolarHBondContact CE2-O 3.4Å; R110-Y112 HydrophobicContact CB-CE2 4.15Å; R110-Y112 WeakPolarHBondContact CD-OH 3.5Å; R110-Y112 HydrophobicContact CG-CE1 4.14Å; R110-Y112 HydrophobicContact CG-CE2 3.78Å; R110-Y112 VanDerWaalsContact NE-CE1 3.26Å; R110-Y112 PolarHBondContact NE-OH 2.92Å; R110-E127 VanDerWaalsContact CZ-CD 3.43Å; R110-E127 IonicContact CZ-OE1 3.9Å; R110-E127 IonicContact NH1-OE1 3.5Å; R110-E127 PolarHBondContact NH1-OE1 2.84Å; R110-E127 IonicContact NH1-OE2 3.46Å; R110-E127 VanDerWaalsContact NH2-CD 3.35Å; R110-E127 VanDerWaalsContact NH2-CG 3.33Å; R110-E127 IonicContact NH2-OE1 3.95Å; R110-E127 PolarHBondContact NH2-OE1 3.02Å |
| 111 | G | 98.3 | Very high | 97 | Very high | 5 Ų | 5 | 63.2 Ų | 63.2 | 5% | 0.052 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 150.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | G99 F108 | G99-G111 CarbonylContact O-C 3.55Å; G99-G111 WeakPolarHBondContact O-CA 3.29Å; F108-G111 VanDerWaalsContact CZ-N 3.29Å |
| 112 | Y | 98.6 | Very high | 97 | Very high | 41 Ų | 41 | 62.4 Ų | 62.4 | 16% | 0.161 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 140.6 | -179 | -52.5 | -97.9 | 0 | 0 | 0 | 109.5 | R5 M97 Y98 G99 D101 R110 | R5-Y112 VanDerWaalsContact CZ-CE2 3.42Å; R5-Y112 VanDerWaalsContact NH2-CZ 3.26Å; R5-Y112 PolarHBondContact NH2-OH 3.19Å; M97-Y112 HydrophobicContact CE-CD1 4.21Å; M97-Y112 HydrophobicContact CE-CG 4.19Å; M97-Y112 HydrophobicContact SD-CG 4.47Å; Y98-Y112 CarbonylContact C-O 3.49Å; Y98-Y112 WeakPolarHBondContact CA-O 3.42Å; Y98-Y112 VanDerWaalsContact CB-O 3.27Å; Y98-Y112 WeakPolarHBondContact CB-O 3.31Å; G99-Y112 PolarHBondContact N-O 2.9Å; G99-Y112 PolarHBondContact O-N 2.95Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.38Å; D101-Y112 PolarHBondContact OD2-OH 3.12Å; R110-Y112 HydrophobicContact CB-CE2 4.15Å; R110-Y112 WeakPolarHBondContact CD-OH 3.5Å; R110-Y112 HydrophobicContact CG-CE1 4.14Å; R110-Y112 HydrophobicContact CG-CE2 3.78Å; R110-Y112 VanDerWaalsContact NE-CE1 3.26Å; R110-Y112 PolarHBondContact NE-OH 2.92Å |
| 113 | H | 98.6 | Very high | 97.1 | Very high | 9 Ų | 9 | 62.6 Ų | 62.6 | 4% | 0.042 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 109 | 167.5 | -174.8 | -85.7 | 0 | 0 | 0 | 108.1 | M97 Y115 L125 W132 W146 L155 | M97-H113 WeakPolarHBondContact O-CA 3.32Å; H113-Y115 AromaticContact CE1-CE2 3.46Å; H113-Y115 VanDerWaalsContact CE1-CE2 3.46Å; H113-Y115 WeakPolarHBondContact CE1-CE2 3.41Å; H113-Y115 AromaticContact ND1-CE2 3.94Å; H113-L125 HydrophobicContact CB-CB 4.04Å; H113-L125 HydrophobicContact CB-CD2 4.2Å; H113-L125 WeakPolarHBondContact O-CB 3.04Å; H113-L125 PolarHBondContact O-N 2.83Å; H113-W132 AromaticContact ND1-CH2 3.85Å; H113-W132 AromaticContact ND1-CZ3 3.86Å; H113-W146 AromaticContact CE1-CH2 3.92Å; H113-W146 AromaticContact CE1-CZ3 3.91Å; H113-L155 HydrophobicContact CB-CD1 4.31Å; H113-L155 WeakPolarHBondContact NE2-CD2 3.44Å |
| 114 | Q | 98.6 | Very high | 97.2 | Very high | 74 Ų | 74 | 63.7 Ų | 63.7 | 35% | 0.346 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 145.9 | -173 | 61.5 | -168 | 64.9 | 0 | 0 | 111.3 | K96 M97 I123 A124 | K96-Q114 CarbonylContact C-O 3.59Å; K96-Q114 WeakPolarHBondContact CA-O 3.46Å; M97-Q114 HydrophobicContact CB-CG 4.05Å; M97-Q114 VanDerWaalsContact CE-CD 3.45Å; M97-Q114 HydrophobicContact CE-CG 3.99Å; M97-Q114 PolarHBondContact N-O 3.34Å; M97-Q114 PolarHBondContact O-N 3.24Å; Q114-I123 CarbonylContact C-O 3.55Å; Q114-I123 WeakPolarHBondContact CA-O 3.44Å; Q114-A124 HydrophobicContact CB-CB 3.83Å |
| 115 | Y | 98.7 | Very high | 97.6 | Very high | 25 Ų | 25 | 59.3 Ų | 59.3 | 10% | 0.098 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 146.8 | 175.5 | -73.5 | -105.7 | 0 | 0 | 0 | 110.6 | H73 V94 Q95 K96 H113 Y122 I123 W146 | H73-Y115 AromaticContact NE2-CE1 3.99Å; V94-Y115 HydrophobicContact CG1-CD1 4.06Å; V94-Y115 HydrophobicContact CG1-CE1 4.5Å; Q95-Y115 CarbonylContact O-C 3.52Å; Q95-Y115 WeakPolarHBondContact O-CA 3.5Å; K96-Y115 HydrophobicContact CB-CD1 3.92Å; K96-Y115 HydrophobicContact CB-CE1 3.73Å; K96-Y115 HydrophobicContact CB-CE2 4.5Å; K96-Y115 HydrophobicContact CB-CG 4.41Å; K96-Y115 HydrophobicContact CD-CE1 3.94Å; K96-Y115 HydrophobicContact CD-CE2 4.04Å; K96-Y115 WeakPolarHBondContact CD-OH 3.25Å; K96-Y115 VanDerWaalsContact CE-OH 3.31Å; K96-Y115 WeakPolarHBondContact CE-OH 3.38Å; K96-Y115 HydrophobicContact CG-CD1 4.26Å; K96-Y115 HydrophobicContact CG-CD2 4.25Å; K96-Y115 HydrophobicContact CG-CE1 3.85Å; K96-Y115 HydrophobicContact CG-CE2 3.81Å; K96-Y115 HydrophobicContact CG-CG 4.47Å; K96-Y115 PolarHBondContact NZ-OH 3.31Å; H113-Y115 AromaticContact CE1-CE2 3.46Å; H113-Y115 VanDerWaalsContact CE1-CE2 3.46Å; H113-Y115 WeakPolarHBondContact CE1-CE2 3.41Å; H113-Y115 AromaticContact ND1-CE2 3.94Å; Y115-Y122 WeakPolarHBondContact O-CB 3.48Å; Y115-Y122 PolarHBondContact O-N 3.4Å; Y115-I123 HydrophobicContact CD2-CG2 4.37Å; Y115-I123 PolarHBondContact N-O 2.89Å; Y115-I123 PolarHBondContact O-N 2.85Å; Y115-W146 AromaticContact CD2-CH2 3.85Å; Y115-W146 HydrophobicContact CD2-CH2 3.85Å; Y115-W146 AromaticContact CE2-CH2 3.55Å; Y115-W146 HydrophobicContact CE2-CH2 3.55Å; Y115-W146 HydrophobicContact CE2-CZ2 4.4Å; Y115-W146 HydrophobicContact CE2-CZ3 4.41Å |
| 116 | A | 98.8 | Very high | 97.9 | Very high | 17 Ų | 17 | 59.6 Ų | 59.6 | 14% | 0.14 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 148.3 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110 | Q95 K120 | Q95-A116 HydrophobicContact CB-CB 4.28Å; Q95-A116 PolarHBondContact N-O 2.83Å; Q95-A116 PolarHBondContact O-N 3.44Å; A116-K120 CarbonylContact C-O 3.59Å; A116-K120 WeakPolarHBondContact CA-O 3.46Å; A116-K120 WeakPolarHBondContact CB-O 3.31Å |
| 117 | Y | 98.6 | Very high | 98.2 | Very high | 11 Ų | 11 | 61.9 Ų | 61.9 | 4% | 0.043 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 127.9 | 177.1 | -174.2 | -120.9 | 0 | 0 | 0 | 110 | L77 L80 R81 Y84 Q86 H92 T93 V94 G119 K120 | L77-Y117 HydrophobicContact CD2-CE2 4.39Å; L80-Y117 HydrophobicContact CB-CD1 4.29Å; L80-Y117 HydrophobicContact CB-CD2 4.08Å; L80-Y117 HydrophobicContact CB-CE1 4Å; L80-Y117 HydrophobicContact CB-CE2 3.77Å; L80-Y117 HydrophobicContact CB-CG 4.32Å; L80-Y117 HydrophobicContact CD1-CD2 3.65Å; L80-Y117 HydrophobicContact CD1-CE2 4.07Å; L80-Y117 HydrophobicContact CD1-CG 4.04Å; L80-Y117 HydrophobicContact CG-CD2 4.44Å; R81-Y117 PolarHBondContact N-OH 3.49Å; Y84-Y117 AromaticContact CD2-CD1 3.69Å; Y84-Y117 HydrophobicContact CD2-CD1 3.69Å; Y84-Y117 AromaticContact CD2-CE1 3.49Å; Y84-Y117 HydrophobicContact CD2-CE1 3.49Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.49Å; Y84-Y117 AromaticContact CE2-CD1 3.5Å; Y84-Y117 HydrophobicContact CE2-CD1 3.5Å; Y84-Y117 VanDerWaalsContact CE2-CD1 3.5Å; Y84-Y117 AromaticContact CE2-CE1 3.84Å; Y84-Y117 HydrophobicContact CE2-CE1 3.84Å; Y84-Y117 HydrophobicContact CE2-CG 4.47Å; Y84-Y117 HydrophobicContact CG-CE1 4.38Å; Q86-Y117 PolarHBondContact OE1-OH 3.42Å; H92-Y117 HydrophobicContact CB-CE2 3.87Å; H92-Y117 WeakPolarHBondContact CB-OH 2.94Å; H92-Y117 VanDerWaalsContact CG-OH 3.23Å; H92-Y117 AromaticContact ND1-CZ 3.92Å; H92-Y117 PolarHBondContact ND1-OH 3.01Å; T93-Y117 CarbonylContact O-C 3.55Å; T93-Y117 WeakPolarHBondContact O-CA 3.35Å; T93-Y117 VanDerWaalsContact O-CD2 3.23Å; T93-Y117 WeakPolarHBondContact O-CD2 3.17Å; V94-Y117 HydrophobicContact CG2-CD2 3.68Å; V94-Y117 HydrophobicContact CG2-CE2 4.02Å; Y117-G119 PolarHBondContact O-N 3.41Å; Y117-K120 PolarHBondContact N-O 3.22Å; Y117-K120 PolarHBondContact O-N 3.49Å |
| 118 | D | 98.1 | Very high | 98.3 | Very high | 63 Ų | 63 | 57.4 Ų | 57.4 | 34% | 0.337 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.3 | 40.3 | -175.7 | -66.4 | -19.9 | 0 | 0 | 0 | 113.2 | Q86 H92 T93 K120 | Q86-D118 PolarHBondContact NE2-OD2 2.83Å; H92-D118 WeakPolarHBondContact CA-OD1 3.5Å; H92-D118 WeakPolarHBondContact CB-OD1 3.18Å; H92-D118 IonicContact CE1-OD2 3.5Å; H92-D118 IonicContact CG-OD1 3.2Å; H92-D118 IonicContact CG-OD2 2.75Å; H92-D118 IonicContact ND1-OD1 2.82Å; H92-D118 IonicContact ND1-OD2 3Å; H92-D118 PolarHBondContact ND1-OD2 3.18Å; T93-D118 PolarHBondContact N-OD1 3.3Å; T93-D118 PolarHBondContact O-N 3.21Å; D118-K120 VanDerWaalsContact C-N 3.29Å; D118-K120 PolarHBondContact O-N 2.8Å |
| 119 | G | 97.4 | Very high | 98.3 | Very high | 60 Ų | 60 | 54.8 Ų | 54.8 | 62% | 0.619 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.3 | 6.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y117 | Y117-G119 PolarHBondContact O-N 3.41Š|
| 120 | K | 98.4 | Very high | 98.3 | Very high | 160 Ų | 160 | 57.7 Ų | 57.7 | 70% | 0.696 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 145.6 | 177.1 | -63.2 | 178.8 | -177.9 | 177.5 | 0 | 110.8 | A116 Y117 D118 Y122 | A116-K120 CarbonylContact C-O 3.59Å; A116-K120 WeakPolarHBondContact CA-O 3.46Å; A116-K120 WeakPolarHBondContact CB-O 3.31Å; Y117-K120 PolarHBondContact N-O 3.22Å; Y117-K120 PolarHBondContact O-N 3.49Å; D118-K120 VanDerWaalsContact C-N 3.29Å; D118-K120 PolarHBondContact O-N 2.8Å; K120-Y122 PolarHBondContact O-N 3.22Å |
| 121 | D | 98.6 | Very high | 98.3 | Very high | 122 Ų | 122 | 54.7 Ų | 54.7 | 65% | 0.652 | 28% | 0.279 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -53.7 | 137.3 | 173.4 | -69.9 | -26.7 | 0 | 0 | 0 | 110.7 | A135 | D121-A135 HydrophobicContact CB-CB 4.33Å; D121-A135 WeakPolarHBondContact O-CB 3.25Å |
| 122 | Y | 98.8 | Very high | 98.3 | Very high | 9 Ų | 9 | 54.6 Ų | 54.6 | 4% | 0.035 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | -65.7 | 179 | 179.6 | -112.5 | 0 | 0 | 0 | 110.5 | L80 Y84 Y115 K120 A135 A138 A139 T142 | L80-Y122 HydrophobicContact CD2-CD1 4.28Å; L80-Y122 HydrophobicContact CD2-CD2 4.06Å; L80-Y122 HydrophobicContact CD2-CE1 3.69Å; L80-Y122 HydrophobicContact CD2-CE2 3.43Å; L80-Y122 VanDerWaalsContact CD2-CE2 3.43Å; L80-Y122 HydrophobicContact CD2-CG 4.46Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.25Å; Y84-Y122 HydrophobicContact CE2-CD2 4.44Å; Y84-Y122 HydrophobicContact CE2-CE2 4.2Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.16Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.27Å; Y115-Y122 WeakPolarHBondContact O-CB 3.48Å; Y115-Y122 PolarHBondContact O-N 3.4Å; K120-Y122 PolarHBondContact O-N 3.22Å; Y122-A135 WeakPolarHBondContact O-CB 3.23Å; Y122-A135 PolarHBondContact O-N 3.25Å; Y122-A138 HydrophobicContact CE2-CB 4.42Å; Y122-A138 PolarHBondContact OH-O 3.21Å; Y122-A138 VanDerWaalsContact OH-O 3.13Å; Y122-A139 HydrophobicContact CD2-CB 3.79Å; Y122-A139 VanDerWaalsContact CE2-CA 3.45Å; Y122-A139 HydrophobicContact CE2-CB 3.62Å; Y122-A139 HydrophobicContact CG-CB 4.34Å; Y122-A139 WeakPolarHBondContact O-CB 3.41Å; Y122-T142 HydrophobicContact CE1-CG2 4.16Å; Y122-T142 WeakPolarHBondContact OH-CB 3.41Å; Y122-T142 PolarHBondContact OH-OG1 2.88Å |
| 123 | I | 98.8 | Very high | 98.3 | Very high | 4 Ų | 4 | 56.2 Ų | 56.2 | 2% | 0.021 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 140 | 178.6 | -163.6 | 174.2 | 0 | 0 | 0 | 110.4 | Q114 Y115 W132 T133 T142 K143 W146 | Q114-I123 CarbonylContact C-O 3.55Å; Q114-I123 WeakPolarHBondContact CA-O 3.44Å; Y115-I123 HydrophobicContact CD2-CG2 4.37Å; Y115-I123 PolarHBondContact N-O 2.89Å; Y115-I123 PolarHBondContact O-N 2.85Å; I123-W132 HydrophobicContact CD1-CB 4.32Å; I123-W132 HydrophobicContact CD1-CD2 4.38Å; I123-W132 HydrophobicContact CD1-CE3 4.14Å; I123-W132 HydrophobicContact CD1-CG 4.48Å; I123-W132 HydrophobicContact CG1-CB 4.39Å; I123-W132 HydrophobicContact CG1-CE3 4.04Å; I123-T133 CarbonylContact C-O 3.58Å; I123-T133 WeakPolarHBondContact CA-O 3.1Å; I123-T133 WeakPolarHBondContact CG1-O 3.5Å; I123-T142 HydrophobicContact CD1-CG2 4.11Å; I123-K143 HydrophobicContact CD1-CB 3.86Å; I123-W146 HydrophobicContact CD1-CE3 4.11Å; I123-W146 HydrophobicContact CD1-CZ3 4.38Å; I123-W146 HydrophobicContact CG2-CH2 4.12Å; I123-W146 HydrophobicContact CG2-CZ3 3.89Å |
| 124 | A | 98.8 | Very high | 98.3 | Very high | 30 Ų | 30 | 56.6 Ų | 56.6 | 25% | 0.248 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 137.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q114 W132 T133 | Q114-A124 HydrophobicContact CB-CB 3.83Å; A124-W132 WeakPolarHBondContact O-CA 3.4Å; A124-T133 PolarHBondContact N-O 2.98Å; A124-T133 PolarHBondContact O-N 2.88Å |
| 125 | L | 98.8 | Very high | 98.3 | Very high | 16 Ų | 16 | 55.9 Ų | 55.9 | 8% | 0.084 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 130 | 168.9 | -174 | 65.5 | 0 | 0 | 0 | 108.7 | H113 L129 W132 A152 L155 L159 | H113-L125 HydrophobicContact CB-CB 4.04Å; H113-L125 HydrophobicContact CB-CD2 4.2Å; H113-L125 WeakPolarHBondContact O-CB 3.04Å; H113-L125 PolarHBondContact O-N 2.83Å; L125-L129 HydrophobicContact CD2-CB 4.42Å; L125-L129 HydrophobicContact CD2-CD2 3.73Å; L125-L129 HydrophobicContact CG-CD2 4.28Å; L125-W132 HydrophobicContact CB-CE3 4.05Å; L125-W132 HydrophobicContact CB-CH2 4.17Å; L125-W132 HydrophobicContact CB-CZ3 3.69Å; L125-W132 HydrophobicContact CD1-CD2 4.19Å; L125-W132 HydrophobicContact CD1-CE3 4.25Å; L125-W132 HydrophobicContact CD1-CH2 4.01Å; L125-W132 HydrophobicContact CD1-CZ2 3.94Å; L125-W132 HydrophobicContact CD1-CZ3 4.15Å; L125-W132 HydrophobicContact CG-CZ3 4.5Å; L125-A152 HydrophobicContact CD1-CB 4.05Å; L125-L155 HydrophobicContact CD2-CB 4.38Å; L125-L159 HydrophobicContact CD2-CD1 3.94Å |
| 126 | K | 98.5 | Very high | 98.3 | Very high | 88 Ų | 88 | 57.4 Ų | 57.4 | 38% | 0.383 | 31% | 0.313 | S | S | . | . | trans | -73.9 | 166.2 | 177.7 | -63.2 | -162.3 | -156.7 | 164.9 | 0 | 111.4 | D128 L129 S131 W132 T133 | K126-D128 PolarHBondContact O-N 3.45Å; K126-D128 VanDerWaalsContact O-N 3.12Å; K126-L129 PolarHBondContact O-N 2.91Å; K126-S131 WeakPolarHBondContact CB-O 3.45Å; K126-S131 VanDerWaalsContact CD-OG 3.23Å; K126-S131 WeakPolarHBondContact CD-OG 3.37Å; K126-S131 WeakPolarHBondContact CG-O 3.34Å; K126-S131 PolarHBondContact N-O 3.21Å; K126-W132 WeakPolarHBondContact CE-O 3.45Å; K126-T133 VanDerWaalsContact CE-OG1 3.27Å; K126-T133 WeakPolarHBondContact CE-OG1 3.45Å; K126-T133 WeakPolarHBondContact CG-OG1 3.29Å | ||
| 127 | E | 97.6 | Very high | 98.2 | Very high | 136 Ų | 136 | 64 Ų | 64 | 64% | 0.636 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -24.3 | 178.6 | -63.8 | -178.4 | -168.9 | 0 | 0 | 113.6 | R110 L129 | R110-E127 VanDerWaalsContact CZ-CD 3.43Å; R110-E127 IonicContact CZ-OE1 3.9Å; R110-E127 IonicContact NH1-OE1 3.5Å; R110-E127 PolarHBondContact NH1-OE1 2.84Å; R110-E127 IonicContact NH1-OE2 3.46Å; R110-E127 VanDerWaalsContact NH2-CD 3.35Å; R110-E127 VanDerWaalsContact NH2-CG 3.33Å; R110-E127 IonicContact NH2-OE1 3.95Å; R110-E127 PolarHBondContact NH2-OE1 3.02Å; E127-L129 PolarHBondContact O-N 3.41Å |
| 128 | D | 97.6 | Very high | 98.1 | Very high | 78 Ų | 78 | 64.1 Ų | 64.1 | 42% | 0.417 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -9.7 | 174.9 | 67.2 | 12.5 | 0 | 0 | 0 | 114 | K126 R130 S131 | K126-D128 PolarHBondContact O-N 3.45Å; K126-D128 VanDerWaalsContact O-N 3.12Å; D128-R130 WeakPolarHBondContact O-CG 3.49Å; D128-R130 PolarHBondContact O-N 3.18Å; D128-R130 VanDerWaalsContact O-N 3.15Å; D128-R130 PolarHBondContact OD1-N 2.82Å; D128-S131 PolarHBondContact OD1-N 2.88Å; D128-S131 PolarHBondContact OD1-OG 3.22Å; D128-S131 PolarHBondContact OD2-OG 3.46Å |
| 129 | L | 98.1 | Very high | 98.1 | Very high | 4 Ų | 4 | 61.1 Ų | 61.1 | 2% | 0.021 | 33% | 0.329 | C | S | . | . | S | Bend | trans | 53.6 | 25.8 | -175.2 | -51.6 | 178.1 | 0 | 0 | 0 | 114.2 | F108 L125 K126 E127 R156 L159 E160 | F108-L129 HydrophobicContact CE1-CD1 3.93Å; F108-L129 HydrophobicContact CZ-CD1 3.65Å; L125-L129 HydrophobicContact CD2-CB 4.42Å; L125-L129 HydrophobicContact CD2-CD2 3.73Å; L125-L129 HydrophobicContact CG-CD2 4.28Å; K126-L129 PolarHBondContact O-N 2.91Å; E127-L129 PolarHBondContact O-N 3.41Å; L129-R156 HydrophobicContact CB-CB 4.11Å; L129-R156 HydrophobicContact CB-CG 3.91Å; L129-R156 HydrophobicContact CD1-CG 4.06Å; L129-L159 HydrophobicContact CD2-CD1 4.13Å; L129-E160 HydrophobicContact CD1-CG 3.96Å |
| 130 | R | 97.5 | Very high | 98.2 | Very high | 168 Ų | 168 | 61 Ų | 61 | 63% | 0.634 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -130.6 | -32.3 | -175.6 | -70.3 | 173.4 | -172.4 | -137.9 | 5.9 | 112.3 | D128 R156 | D128-R130 WeakPolarHBondContact O-CG 3.49Å; D128-R130 PolarHBondContact O-N 3.18Å; D128-R130 VanDerWaalsContact O-N 3.15Å; D128-R130 PolarHBondContact OD1-N 2.82Å; R130-R156 VanDerWaalsContact NH2-NH1 3.16Å |
| 131 | S | 97.7 | Very high | 98.1 | Very high | 28 Ų | 28 | 56.2 Ų | 56.2 | 20% | 0.196 | 30% | 0.297 | C | S | . | . | trans | -118.8 | 162.4 | -175.8 | 72.2 | 0 | 0 | 0 | 0 | 112.3 | K126 D128 | K126-S131 WeakPolarHBondContact CB-O 3.45Å; K126-S131 VanDerWaalsContact CD-OG 3.23Å; K126-S131 WeakPolarHBondContact CD-OG 3.37Å; K126-S131 WeakPolarHBondContact CG-O 3.34Å; K126-S131 PolarHBondContact N-O 3.21Å; D128-S131 PolarHBondContact OD1-N 2.88Å; D128-S131 PolarHBondContact OD1-OG 3.22Å; D128-S131 PolarHBondContact OD2-OG 3.46Å | ||
| 132 | W | 98.7 | Very high | 98.1 | Very high | 3 Ų | 3 | 51.2 Ų | 51.2 | 1% | 0.011 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 143.2 | -174.2 | -60 | 93.4 | 0 | 0 | 0 | 111.8 | H113 I123 A124 L125 K126 K143 W146 V151 A152 L155 | H113-W132 AromaticContact ND1-CH2 3.85Å; H113-W132 AromaticContact ND1-CZ3 3.86Å; I123-W132 HydrophobicContact CD1-CB 4.32Å; I123-W132 HydrophobicContact CD1-CD2 4.38Å; I123-W132 HydrophobicContact CD1-CE3 4.14Å; I123-W132 HydrophobicContact CD1-CG 4.48Å; I123-W132 HydrophobicContact CG1-CB 4.39Å; I123-W132 HydrophobicContact CG1-CE3 4.04Å; A124-W132 WeakPolarHBondContact O-CA 3.4Å; L125-W132 HydrophobicContact CB-CE3 4.05Å; L125-W132 HydrophobicContact CB-CH2 4.17Å; L125-W132 HydrophobicContact CB-CZ3 3.69Å; L125-W132 HydrophobicContact CD1-CD2 4.19Å; L125-W132 HydrophobicContact CD1-CE3 4.25Å; L125-W132 HydrophobicContact CD1-CH2 4.01Å; L125-W132 HydrophobicContact CD1-CZ2 3.94Å; L125-W132 HydrophobicContact CD1-CZ3 4.15Å; L125-W132 HydrophobicContact CG-CZ3 4.5Å; K126-W132 WeakPolarHBondContact CE-O 3.45Å; W132-K143 HydrophobicContact CB-CD 4.11Å; W132-K143 HydrophobicContact CB-CG 3.97Å; W132-W146 HydrophobicContact CD2-CE3 4.08Å; W132-W146 AromaticContact CE2-CE3 3.89Å; W132-W146 AromaticContact CE3-CE3 3.87Å; W132-W146 HydrophobicContact CE3-CE3 3.87Å; W132-W146 HydrophobicContact CE3-CZ3 4.01Å; W132-W146 HydrophobicContact CH2-CD2 4.43Å; W132-W146 AromaticContact CH2-CE3 3.24Å; W132-W146 HydrophobicContact CH2-CE3 3.24Å; W132-W146 AromaticContact CH2-CZ3 3.35Å; W132-W146 HydrophobicContact CH2-CZ3 3.35Å; W132-W146 HydrophobicContact CZ2-CD2 4.4Å; W132-W146 AromaticContact CZ2-CE3 3.48Å; W132-W146 HydrophobicContact CZ2-CE3 3.48Å; W132-W146 VanDerWaalsContact CZ2-CE3 3.48Å; W132-W146 HydrophobicContact CZ2-CZ3 4.1Å; W132-W146 AromaticContact CZ3-CE3 3.47Å; W132-W146 HydrophobicContact CZ3-CE3 3.47Å; W132-W146 VanDerWaalsContact CZ3-CE3 3.47Å; W132-W146 AromaticContact CZ3-CZ3 3.32Å; W132-W146 HydrophobicContact CZ3-CZ3 3.32Å; W132-V151 HydrophobicContact CH2-CG1 4.49Å; W132-V151 HydrophobicContact CZ2-CB 4.32Å; W132-V151 HydrophobicContact CZ2-CG1 4.1Å; W132-A152 HydrophobicContact CZ2-CB 4.19Å; W132-L155 HydrophobicContact CH2-CD1 3.43Å; W132-L155 VanDerWaalsContact CH2-CD1 3.43Å; W132-L155 HydrophobicContact CZ2-CD1 3.92Å |
| 133 | T | 98.6 | Very high | 98.1 | Very high | 76 Ų | 76 | 52.9 Ų | 52.9 | 47% | 0.466 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 121.4 | 164.8 | -60.4 | 0 | 0 | 0 | 0 | 108.2 | I123 A124 K126 | I123-T133 CarbonylContact C-O 3.58Å; I123-T133 WeakPolarHBondContact CA-O 3.1Å; I123-T133 WeakPolarHBondContact CG1-O 3.5Å; A124-T133 PolarHBondContact N-O 2.98Å; A124-T133 PolarHBondContact O-N 2.88Å; K126-T133 VanDerWaalsContact CE-OG1 3.27Å; K126-T133 WeakPolarHBondContact CE-OG1 3.45Å; K126-T133 WeakPolarHBondContact CG-OG1 3.29Å |
| 134 | A | 98.6 | Very high | 98.1 | Very high | 17 Ų | 17 | 58.2 Ų | 58.2 | 14% | 0.14 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 133.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109 | A139 Q140 K143 | A134-A139 HydrophobicContact CB-CB 3.69Å; A134-Q140 HydrophobicContact CB-CG 4.35Å; A134-K143 HydrophobicContact CB-CB 4.3Å; A134-K143 HydrophobicContact CB-CD 4.2Å |
| 135 | A | 98.4 | Very high | 98.1 | Very high | 58 Ų | 58 | 62.4 Ų | 62.4 | 48% | 0.479 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -77.3 | -31.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | D121 Y122 | D121-A135 HydrophobicContact CB-CB 4.33Å; D121-A135 WeakPolarHBondContact O-CB 3.25Å; Y122-A135 WeakPolarHBondContact O-CB 3.23Å; Y122-A135 PolarHBondContact O-N 3.25Å |
| 136 | D | 97.9 | Very high | 98 | Very high | 58 Ų | 58 | 64.2 Ų | 64.2 | 31% | 0.31 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -151.7 | -175.1 | -178.5 | 65.4 | 31.1 | 0 | 0 | 0 | 112.6 | Y84 A138 A139 Q140 | Y84-D136 VanDerWaalsContact CE1-OD2 3.22Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.12Å; Y84-D136 VanDerWaalsContact OH-CG 3.23Å; Y84-D136 PolarHBondContact OH-OD1 2.85Å; Y84-D136 VanDerWaalsContact OH-OD1 3.13Å; Y84-D136 PolarHBondContact OH-OD2 3.31Å; D136-A138 VanDerWaalsContact C-N 3.33Å; D136-A138 PolarHBondContact O-N 2.71Å; D136-A138 WeakPolarHBondContact OD1-CA 3.21Å; D136-A138 WeakPolarHBondContact OD1-CB 3.29Å; D136-A138 PolarHBondContact OD1-N 3.17Å; D136-A139 WeakPolarHBondContact O-CB 3.37Å; D136-A139 PolarHBondContact O-N 2.93Å; D136-A139 PolarHBondContact OD1-N 3.2Å; D136-Q140 WeakPolarHBondContact O-CG 3.5Å; D136-Q140 PolarHBondContact O-N 3.21Å |
| 137 | M | 97 | Very high | 98 | Very high | 156 Ų | 156 | 63.8 Ų | 63.8 | 77% | 0.768 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -64.2 | -32.2 | -179.1 | -66.9 | -55.8 | -60.3 | 0 | 0 | 113.9 | Q140 | M137-Q140 PolarHBondContact O-N 3.1Å; M137-Q140 HydrophobicContact SD-CG 4.49Å |
| 138 | A | 96.9 | Very high | 98.1 | Very high | 12 Ų | 12 | 61.2 Ų | 61.2 | 10% | 0.099 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -70 | -39 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y83 Y84 Y122 D136 Q140 T141 | Y83-A138 HydrophobicContact CD2-CB 4.5Å; Y84-A138 HydrophobicContact CD1-CB 4.17Å; Y84-A138 HydrophobicContact CD2-CB 4.45Å; Y84-A138 HydrophobicContact CE1-CB 3.61Å; Y84-A138 HydrophobicContact CE2-CB 3.91Å; Y84-A138 VanDerWaalsContact CZ-CB 3.47Å; Y122-A138 HydrophobicContact CE2-CB 4.42Å; Y122-A138 PolarHBondContact OH-O 3.21Å; Y122-A138 VanDerWaalsContact OH-O 3.13Å; D136-A138 VanDerWaalsContact C-N 3.33Å; D136-A138 PolarHBondContact O-N 2.71Å; D136-A138 WeakPolarHBondContact OD1-CA 3.21Å; D136-A138 WeakPolarHBondContact OD1-CB 3.29Å; D136-A138 PolarHBondContact OD1-N 3.17Å; A138-Q140 VanDerWaalsContact C-N 3.34Å; A138-Q140 PolarHBondContact O-N 3.22Å; A138-T141 WeakPolarHBondContact O-CB 3.36Å; A138-T141 PolarHBondContact O-N 2.94Å |
| 139 | A | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.6 | -32.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y122 A134 D136 T141 T142 K143 | Y122-A139 HydrophobicContact CD2-CB 3.79Å; Y122-A139 VanDerWaalsContact CE2-CA 3.45Å; Y122-A139 HydrophobicContact CE2-CB 3.62Å; Y122-A139 HydrophobicContact CG-CB 4.34Å; Y122-A139 WeakPolarHBondContact O-CB 3.41Å; A134-A139 HydrophobicContact CB-CB 3.69Å; D136-A139 WeakPolarHBondContact O-CB 3.37Å; D136-A139 PolarHBondContact O-N 2.93Å; D136-A139 PolarHBondContact OD1-N 3.2Å; A139-T141 PolarHBondContact O-N 2.87Å; A139-T142 PolarHBondContact O-N 3.15Å; A139-T142 VanDerWaalsContact O-N 3.13Å; A139-K143 PolarHBondContact O-N 2.78Å |
| 140 | Q | 98.4 | Very high | 98.1 | Very high | 59 Ų | 59 | 65.3 Ų | 65.3 | 28% | 0.276 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -58.5 | -35.5 | 173.5 | -66.6 | -63.4 | -18.4 | 0 | 0 | 112 | A134 D136 M137 A138 T142 K143 H144 | A134-Q140 HydrophobicContact CB-CG 4.35Å; D136-Q140 WeakPolarHBondContact O-CG 3.5Å; D136-Q140 PolarHBondContact O-N 3.21Å; M137-Q140 PolarHBondContact O-N 3.1Å; M137-Q140 HydrophobicContact SD-CG 4.49Å; A138-Q140 VanDerWaalsContact C-N 3.34Å; A138-Q140 PolarHBondContact O-N 3.22Å; Q140-T142 PolarHBondContact O-N 3.28Å; Q140-K143 WeakPolarHBondContact O-CB 3.27Å; Q140-K143 PolarHBondContact O-N 3.27Å; Q140-H144 PolarHBondContact O-N 2.8Å |
| 141 | T | 97.6 | Very high | 98.1 | Very high | 59 Ų | 59 | 58.7 Ų | 58.7 | 36% | 0.362 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.7 | -44.3 | 176.5 | -58.6 | 0 | 0 | 0 | 0 | 111.3 | Y83 A138 A139 K145 | Y83-T141 HydrophobicContact CE1-CG2 4.18Å; Y83-T141 HydrophobicContact CE2-CG2 4.11Å; A138-T141 WeakPolarHBondContact O-CB 3.36Å; A138-T141 PolarHBondContact O-N 2.94Å; A139-T141 PolarHBondContact O-N 2.87Å; T141-K145 WeakPolarHBondContact O-CG 3.38Å; T141-K145 PolarHBondContact O-N 3.25Å |
| 142 | T | 98.1 | Very high | 98.1 | Very high | 16 Ų | 16 | 57.7 Ų | 57.7 | 10% | 0.098 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -68.5 | -41.7 | 176 | -67 | 0 | 0 | 0 | 0 | 111.6 | Y122 I123 A139 Q140 H144 K145 W146 | Y122-T142 HydrophobicContact CE1-CG2 4.16Å; Y122-T142 WeakPolarHBondContact OH-CB 3.41Å; Y122-T142 PolarHBondContact OH-OG1 2.88Å; I123-T142 HydrophobicContact CD1-CG2 4.11Å; A139-T142 PolarHBondContact O-N 3.15Å; A139-T142 VanDerWaalsContact O-N 3.13Å; Q140-T142 PolarHBondContact O-N 3.28Å; T142-H144 PolarHBondContact O-N 2.74Å; T142-K145 WeakPolarHBondContact O-CB 3.48Å; T142-K145 PolarHBondContact O-N 3.5Å; T142-W146 HydrophobicContact CG2-CD2 3.93Å; T142-W146 HydrophobicContact CG2-CE3 4.48Å; T142-W146 HydrophobicContact CG2-CG 4.22Å; T142-W146 HydrophobicContact CG2-CZ2 4.01Å; T142-W146 WeakPolarHBondContact O-CB 3.43Å; T142-W146 PolarHBondContact O-N 3.45Å |
| 143 | K | 98.6 | Very high | 98.1 | Very high | 44 Ų | 44 | 63.5 Ų | 63.5 | 19% | 0.191 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -53.7 | -52.3 | 175.3 | 174 | 176.1 | 171.8 | -170.1 | 0 | 111.7 | I123 W132 A134 A139 Q140 K145 W146 E147 | I123-K143 HydrophobicContact CD1-CB 3.86Å; W132-K143 HydrophobicContact CB-CD 4.11Å; W132-K143 HydrophobicContact CB-CG 3.97Å; A134-K143 HydrophobicContact CB-CB 4.3Å; A134-K143 HydrophobicContact CB-CD 4.2Å; A139-K143 PolarHBondContact O-N 2.78Å; Q140-K143 WeakPolarHBondContact O-CB 3.27Å; Q140-K143 PolarHBondContact O-N 3.27Å; K143-K145 VanDerWaalsContact C-N 3.3Å; K143-K145 PolarHBondContact O-N 3.16Å; K143-W146 PolarHBondContact O-N 2.86Å; K143-W146 VanDerWaalsContact O-N 3.15Å; K143-E147 WeakPolarHBondContact CE-OE1 3.41Å; K143-E147 HydrophobicContact CG-CG 4.3Å; K143-E147 IonicContact NZ-OE1 2.71Å; K143-E147 WeakPolarHBondContact O-CB 3.39Å; K143-E147 WeakPolarHBondContact O-CG 3.39Å; K143-E147 PolarHBondContact O-N 2.93Å |
| 144 | H | 98.4 | Very high | 98 | Very high | 116 Ų | 116 | 66.7 Ų | 66.7 | 54% | 0.537 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.3 | -39.9 | 179.7 | -68.8 | 179.9 | 0 | 0 | 0 | 112.3 | Q140 T142 A148 | Q140-H144 PolarHBondContact O-N 2.8Å; T142-H144 PolarHBondContact O-N 2.74Å; H144-A148 VanDerWaalsContact O-CB 3.31Å; H144-A148 WeakPolarHBondContact O-CB 3.32Å; H144-A148 PolarHBondContact O-N 3.42Å |
| 145 | K | 97.9 | Very high | 98 | Very high | 119 Ų | 119 | 67.3 Ų | 67.3 | 52% | 0.517 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.1 | -44 | 175.7 | -72.6 | 177.8 | 177.2 | -175.4 | 0 | 111.8 | Y83 T141 T142 K143 A149 | Y83-K145 PolarHBondContact OH-NZ 2.87Å; T141-K145 WeakPolarHBondContact O-CG 3.38Å; T141-K145 PolarHBondContact O-N 3.25Å; T142-K145 WeakPolarHBondContact O-CB 3.48Å; T142-K145 PolarHBondContact O-N 3.5Å; K143-K145 VanDerWaalsContact C-N 3.3Å; K143-K145 PolarHBondContact O-N 3.16Å; K145-A149 VanDerWaalsContact O-CB 3.3Å; K145-A149 WeakPolarHBondContact O-CB 3.35Å; K145-A149 PolarHBondContact O-N 2.89Å |
| 146 | W | 98.3 | Very high | 98 | Very high | 54 Ų | 54 | 68.3 Ų | 68.3 | 21% | 0.205 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -72.6 | -34.5 | -178.4 | -75.8 | 12 | 0 | 0 | 0 | 113 | H113 Y115 I123 W132 T142 K143 A149 H150 V151 | H113-W146 AromaticContact CE1-CH2 3.92Å; H113-W146 AromaticContact CE1-CZ3 3.91Å; Y115-W146 AromaticContact CD2-CH2 3.85Å; Y115-W146 HydrophobicContact CD2-CH2 3.85Å; Y115-W146 AromaticContact CE2-CH2 3.55Å; Y115-W146 HydrophobicContact CE2-CH2 3.55Å; Y115-W146 HydrophobicContact CE2-CZ2 4.4Å; Y115-W146 HydrophobicContact CE2-CZ3 4.41Å; I123-W146 HydrophobicContact CD1-CE3 4.11Å; I123-W146 HydrophobicContact CD1-CZ3 4.38Å; I123-W146 HydrophobicContact CG2-CH2 4.12Å; I123-W146 HydrophobicContact CG2-CZ3 3.89Å; W132-W146 HydrophobicContact CD2-CE3 4.08Å; W132-W146 AromaticContact CE2-CE3 3.89Å; W132-W146 AromaticContact CE3-CE3 3.87Å; W132-W146 HydrophobicContact CE3-CE3 3.87Å; W132-W146 HydrophobicContact CE3-CZ3 4.01Å; W132-W146 HydrophobicContact CH2-CD2 4.43Å; W132-W146 AromaticContact CH2-CE3 3.24Å; W132-W146 HydrophobicContact CH2-CE3 3.24Å; W132-W146 AromaticContact CH2-CZ3 3.35Å; W132-W146 HydrophobicContact CH2-CZ3 3.35Å; W132-W146 HydrophobicContact CZ2-CD2 4.4Å; W132-W146 AromaticContact CZ2-CE3 3.48Å; W132-W146 HydrophobicContact CZ2-CE3 3.48Å; W132-W146 VanDerWaalsContact CZ2-CE3 3.48Å; W132-W146 HydrophobicContact CZ2-CZ3 4.1Å; W132-W146 AromaticContact CZ3-CE3 3.47Å; W132-W146 HydrophobicContact CZ3-CE3 3.47Å; W132-W146 VanDerWaalsContact CZ3-CE3 3.47Å; W132-W146 AromaticContact CZ3-CZ3 3.32Å; W132-W146 HydrophobicContact CZ3-CZ3 3.32Å; T142-W146 HydrophobicContact CG2-CD2 3.93Å; T142-W146 HydrophobicContact CG2-CE3 4.48Å; T142-W146 HydrophobicContact CG2-CG 4.22Å; T142-W146 HydrophobicContact CG2-CZ2 4.01Å; T142-W146 WeakPolarHBondContact O-CB 3.43Å; T142-W146 PolarHBondContact O-N 3.45Å; K143-W146 PolarHBondContact O-N 2.86Å; K143-W146 VanDerWaalsContact O-N 3.15Å; W146-A149 CarbonylContact O-C 3.54Å; W146-A149 PolarHBondContact O-N 2.83Å; W146-H150 PolarHBondContact O-N 3.01Å; W146-H150 VanDerWaalsContact O-N 3.1Å; W146-V151 HydrophobicContact CB-CB 4.01Å; W146-V151 HydrophobicContact CB-CG2 3.94Å; W146-V151 HydrophobicContact CD2-CG1 4.3Å; W146-V151 HydrophobicContact CE3-CG1 4.46Å; W146-V151 HydrophobicContact CG-CB 4.2Å; W146-V151 HydrophobicContact CG-CG1 4.42Å; W146-V151 HydrophobicContact CG-CG2 3.94Å; W146-V151 PolarHBondContact O-N 2.82Å |
| 147 | E | 98.4 | Very high | 98 | Very high | 79 Ų | 79 | 68.7 Ų | 68.7 | 37% | 0.369 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -66 | -47.6 | 172.2 | -73.2 | 174.6 | 161.3 | 0 | 0 | 110.9 | K143 A149 H150 | K143-E147 WeakPolarHBondContact CE-OE1 3.41Å; K143-E147 HydrophobicContact CG-CG 4.3Å; K143-E147 IonicContact NZ-OE1 2.71Å; K143-E147 WeakPolarHBondContact O-CB 3.39Å; K143-E147 WeakPolarHBondContact O-CG 3.39Å; K143-E147 PolarHBondContact O-N 2.93Å; E147-A149 PolarHBondContact O-N 2.84Å; E147-H150 PolarHBondContact O-N 2.87Å; E147-H150 VanDerWaalsContact O-N 3.09Å |
| 148 | A | 98.3 | Very high | 98 | Very high | 81 Ų | 81 | 64.3 Ų | 64.3 | 67% | 0.669 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -62.5 | -30 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | H144 | H144-A148 VanDerWaalsContact O-CB 3.31Å; H144-A148 WeakPolarHBondContact O-CB 3.32Å; H144-A148 PolarHBondContact O-N 3.42Å |
| 149 | A | 98.1 | Very high | 98.1 | Very high | 59 Ų | 59 | 63.9 Ų | 63.9 | 49% | 0.488 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 6.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | K145 W146 E147 V151 | K145-A149 VanDerWaalsContact O-CB 3.3Å; K145-A149 WeakPolarHBondContact O-CB 3.35Å; K145-A149 PolarHBondContact O-N 2.89Å; W146-A149 CarbonylContact O-C 3.54Å; W146-A149 PolarHBondContact O-N 2.83Å; E147-A149 PolarHBondContact O-N 2.84Å; A149-V151 HydrophobicContact CB-CG2 4Å; A149-V151 PolarHBondContact O-N 2.75Å; A149-V151 VanDerWaalsContact O-N 3.15Å |
| 150 | H | 97.4 | Very high | 98.1 | Very high | 110 Ų | 110 | 67.3 Ų | 67.3 | 51% | 0.509 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.1 | 33.9 | 179.6 | -63.5 | -92.7 | 0 | 0 | 0 | 114.2 | W146 E147 A152 E153 | W146-H150 PolarHBondContact O-N 3.01Å; W146-H150 VanDerWaalsContact O-N 3.1Å; E147-H150 PolarHBondContact O-N 2.87Å; E147-H150 VanDerWaalsContact O-N 3.09Å; H150-A152 PolarHBondContact O-N 3.27Å; H150-E153 HydrophobicContact CB-CG 4.46Å; H150-E153 IonicContact CE1-OE1 3.41Å; H150-E153 IonicContact CG-OE1 3.72Å; H150-E153 IonicContact ND1-OE1 2.92Å; H150-E153 PolarHBondContact ND1-OE1 2.95Å; H150-E153 PolarHBondContact O-N 2.82Å; H150-E153 VanDerWaalsContact O-N 3.11Å |
| 151 | V | 98.3 | Very high | 98.1 | Very high | 28 Ų | 28 | 65.7 Ų | 65.7 | 17% | 0.17 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60 | -34.4 | -174.8 | 175.6 | 0 | 0 | 0 | 0 | 111.9 | W132 W146 A149 E153 Q154 L155 | W132-V151 HydrophobicContact CH2-CG1 4.49Å; W132-V151 HydrophobicContact CZ2-CB 4.32Å; W132-V151 HydrophobicContact CZ2-CG1 4.1Å; W146-V151 HydrophobicContact CB-CB 4.01Å; W146-V151 HydrophobicContact CB-CG2 3.94Å; W146-V151 HydrophobicContact CD2-CG1 4.3Å; W146-V151 HydrophobicContact CE3-CG1 4.46Å; W146-V151 HydrophobicContact CG-CB 4.2Å; W146-V151 HydrophobicContact CG-CG1 4.42Å; W146-V151 HydrophobicContact CG-CG2 3.94Å; W146-V151 PolarHBondContact O-N 2.82Å; A149-V151 HydrophobicContact CB-CG2 4Å; A149-V151 PolarHBondContact O-N 2.75Å; A149-V151 VanDerWaalsContact O-N 3.15Å; V151-E153 VanDerWaalsContact C-N 3.27Å; V151-E153 PolarHBondContact O-N 2.85Å; V151-Q154 PolarHBondContact O-N 2.82Å; V151-L155 HydrophobicContact CG1-CD1 3.83Å; V151-L155 HydrophobicContact CG1-CG 4.18Å; V151-L155 WeakPolarHBondContact O-CG 3.33Å; V151-L155 PolarHBondContact O-N 3.2Å; V151-L155 VanDerWaalsContact O-N 3.13Å |
| 152 | A | 98.4 | Very high | 98.1 | Very high | 8 Ų | 8 | 65.6 Ų | 65.6 | 7% | 0.066 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -59.7 | -35.5 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | L125 W132 H150 L155 R156 | L125-A152 HydrophobicContact CD1-CB 4.05Å; W132-A152 HydrophobicContact CZ2-CB 4.19Å; H150-A152 PolarHBondContact O-N 3.27Å; A152-L155 PolarHBondContact O-N 3.02Å; A152-R156 VanDerWaalsContact O-CB 3.23Å; A152-R156 WeakPolarHBondContact O-CB 3.42Å; A152-R156 PolarHBondContact O-N 2.86Å |
| 153 | E | 97.7 | Very high | 98.2 | Very high | 124 Ų | 124 | 64.8 Ų | 64.8 | 58% | 0.579 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -66.3 | -42.3 | -179.5 | -64.5 | 174.9 | -158.4 | 0 | 0 | 111.6 | H150 V151 R156 A157 | H150-E153 HydrophobicContact CB-CG 4.46Å; H150-E153 IonicContact CE1-OE1 3.41Å; H150-E153 IonicContact CG-OE1 3.72Å; H150-E153 IonicContact ND1-OE1 2.92Å; H150-E153 PolarHBondContact ND1-OE1 2.95Å; H150-E153 PolarHBondContact O-N 2.82Å; H150-E153 VanDerWaalsContact O-N 3.11Å; V151-E153 VanDerWaalsContact C-N 3.27Å; V151-E153 PolarHBondContact O-N 2.85Å; E153-R156 PolarHBondContact O-N 2.9Å; E153-A157 PolarHBondContact O-N 3.48Å |
| 154 | Q | 96.9 | Very high | 98.1 | Very high | 144 Ų | 144 | 63.1 Ų | 63.1 | 67% | 0.673 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -65.3 | -43.5 | 176.6 | -64 | -179 | -9.3 | 0 | 0 | 111.6 | V151 A157 Y158 | V151-Q154 PolarHBondContact O-N 2.82Å; Q154-A157 PolarHBondContact O-N 2.85Å; Q154-Y158 PolarHBondContact O-N 3.08Å; Q154-Y158 VanDerWaalsContact O-N 3.14Å |
| 155 | L | 98.1 | Very high | 98.1 | Very high | 29 Ų | 29 | 63.6 Ų | 63.6 | 15% | 0.152 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.8 | -41.7 | 178.1 | -67.2 | 175.4 | 0 | 0 | 0 | 111.4 | H113 L125 W132 V151 A152 A157 Y158 L159 | H113-L155 HydrophobicContact CB-CD1 4.31Å; H113-L155 WeakPolarHBondContact NE2-CD2 3.44Å; L125-L155 HydrophobicContact CD2-CB 4.38Å; W132-L155 HydrophobicContact CH2-CD1 3.43Å; W132-L155 VanDerWaalsContact CH2-CD1 3.43Å; W132-L155 HydrophobicContact CZ2-CD1 3.92Å; V151-L155 HydrophobicContact CG1-CD1 3.83Å; V151-L155 HydrophobicContact CG1-CG 4.18Å; V151-L155 WeakPolarHBondContact O-CG 3.33Å; V151-L155 PolarHBondContact O-N 3.2Å; V151-L155 VanDerWaalsContact O-N 3.13Å; A152-L155 PolarHBondContact O-N 3.02Å; L155-A157 PolarHBondContact O-N 2.83Å; L155-Y158 PolarHBondContact O-N 2.81Å; L155-L159 WeakPolarHBondContact O-CB 3.19Å; L155-L159 WeakPolarHBondContact O-CG 3.43Å; L155-L159 PolarHBondContact O-N 2.89Å |
| 156 | R | 98.4 | Very high | 98.1 | Very high | 79 Ų | 79 | 61 Ų | 61 | 30% | 0.298 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -58.8 | -46.8 | 175.6 | -176.7 | 174.3 | -179.2 | -139.2 | -16.1 | 111.6 | L129 R130 A152 E153 Y158 L159 E160 | L129-R156 HydrophobicContact CB-CB 4.11Å; L129-R156 HydrophobicContact CB-CG 3.91Å; L129-R156 HydrophobicContact CD1-CG 4.06Å; R130-R156 VanDerWaalsContact NH2-NH1 3.16Å; A152-R156 VanDerWaalsContact O-CB 3.23Å; A152-R156 WeakPolarHBondContact O-CB 3.42Å; A152-R156 PolarHBondContact O-N 2.86Å; E153-R156 PolarHBondContact O-N 2.9Å; R156-Y158 VanDerWaalsContact C-N 3.31Å; R156-Y158 PolarHBondContact O-N 3.45Å; R156-L159 PolarHBondContact O-N 2.74Å; R156-E160 HydrophobicContact CG-CG 4.13Å; R156-E160 IonicContact CZ-OE1 3.12Å; R156-E160 IonicContact CZ-OE2 3.3Å; R156-E160 IonicContact NE-OE1 3.91Å; R156-E160 PolarHBondContact NE-OE1 2.97Å; R156-E160 IonicContact NE-OE2 3.4Å; R156-E160 PolarHBondContact NE-OE2 2.9Å; R156-E160 IonicContact NH2-OE1 2.77Å; R156-E160 PolarHBondContact NH2-OE1 3.49Å; R156-E160 VanDerWaalsContact NH2-OE1 3.12Å; R156-E160 IonicContact NH2-OE2 3.38Å; R156-E160 PolarHBondContact NH2-OE2 3.46Å; R156-E160 WeakPolarHBondContact O-CB 3.37Å; R156-E160 PolarHBondContact O-N 3.13Å |
| 157 | A | 98.3 | Very high | 98.1 | Very high | 67 Ų | 67 | 58.5 Ų | 58.5 | 55% | 0.554 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -59 | -41.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | E153 Q154 L155 G161 | E153-A157 PolarHBondContact O-N 3.48Å; Q154-A157 PolarHBondContact O-N 2.85Å; L155-A157 PolarHBondContact O-N 2.83Å; A157-G161 PolarHBondContact O-N 2.99Å |
| 158 | Y | 98.2 | Very high | 98.1 | Very high | 64 Ų | 64 | 60.1 Ų | 60.1 | 25% | 0.251 | 32% | 0.318 | S | S | . | . | I | π-helix | trans | -66.1 | -47.2 | 174.6 | 170.9 | -97.6 | 0 | 0 | 0 | 112.4 | Y98 Q154 L155 R156 T162 C163 | Y98-Y158 AromaticContact CD2-CE1 3.93Å; Y98-Y158 HydrophobicContact CD2-CE1 3.93Å; Y98-Y158 AromaticContact CE2-CE1 3.86Å; Y98-Y158 HydrophobicContact CE2-CE1 3.86Å; Q154-Y158 PolarHBondContact O-N 3.08Å; Q154-Y158 VanDerWaalsContact O-N 3.14Å; L155-Y158 PolarHBondContact O-N 2.81Å; R156-Y158 VanDerWaalsContact C-N 3.31Å; R156-Y158 PolarHBondContact O-N 3.45Å; Y158-T162 HydrophobicContact CD2-CG2 4.04Å; Y158-T162 HydrophobicContact CE2-CG2 3.96Å; Y158-T162 PolarHBondContact O-N 2.84Å; Y158-C163 HydrophobicContact CD1-CB 4.35Å; Y158-C163 HydrophobicContact CE1-CB 3.93Å; Y158-C163 WeakPolarHBondContact O-CB 3.36Å; Y158-C163 PolarHBondContact O-N 3.17Å |
| 159 | L | 98.6 | Very high | 98 | Very high | 2 Ų | 2 | 62.2 Ų | 62.2 | 1% | 0.01 | 31% | 0.309 | C | S | . | . | I | π-helix | trans | -69.9 | -41.9 | -173.5 | -70.6 | 171.4 | 0 | 0 | 0 | 112.6 | G99 F108 L125 L129 L155 R156 | G99-L159 VanDerWaalsContact O-CD2 3.24Å; G99-L159 WeakPolarHBondContact O-CD2 2.88Å; F108-L159 WeakPolarHBondContact CD2-O 3.29Å; F108-L159 HydrophobicContact CE2-CB 4.46Å; F108-L159 WeakPolarHBondContact CE2-O 3.47Å; L125-L159 HydrophobicContact CD2-CD1 3.94Å; L129-L159 HydrophobicContact CD2-CD1 4.13Å; L155-L159 WeakPolarHBondContact O-CB 3.19Å; L155-L159 WeakPolarHBondContact O-CG 3.43Å; L155-L159 PolarHBondContact O-N 2.89Å; R156-L159 PolarHBondContact O-N 2.74Å |
| 160 | E | 98.3 | Very high | 98 | Very high | 73 Ų | 73 | 59.5 Ų | 59.5 | 34% | 0.341 | 29% | 0.286 | S | S | . | . | I | π-helix | trans | -78.5 | -25.8 | 178.8 | -67.4 | -178 | 174.7 | 0 | 0 | 112.5 | F108 L129 R156 | F108-E160 HydrophobicContact CD1-CG 4.05Å; F108-E160 HydrophobicContact CD2-CG 4.48Å; F108-E160 HydrophobicContact CE1-CG 3.9Å; F108-E160 HydrophobicContact CE2-CG 4.34Å; F108-E160 HydrophobicContact CG-CG 4.34Å; F108-E160 HydrophobicContact CZ-CG 4.05Å; L129-E160 HydrophobicContact CD1-CG 3.96Å; R156-E160 HydrophobicContact CG-CG 4.13Å; R156-E160 IonicContact CZ-OE1 3.12Å; R156-E160 IonicContact CZ-OE2 3.3Å; R156-E160 IonicContact NE-OE1 3.91Å; R156-E160 PolarHBondContact NE-OE1 2.97Å; R156-E160 IonicContact NE-OE2 3.4Å; R156-E160 PolarHBondContact NE-OE2 2.9Å; R156-E160 IonicContact NH2-OE1 2.77Å; R156-E160 PolarHBondContact NH2-OE1 3.49Å; R156-E160 VanDerWaalsContact NH2-OE1 3.12Å; R156-E160 IonicContact NH2-OE2 3.38Å; R156-E160 PolarHBondContact NH2-OE2 3.46Å; R156-E160 WeakPolarHBondContact O-CB 3.37Å; R156-E160 PolarHBondContact O-N 3.13Å |
| 161 | G | 98.1 | Very high | 97.9 | Very high | 25 Ų | 25 | 54.2 Ų | 54.2 | 26% | 0.258 | 26% | 0.261 | S | S | . | . | I | π-helix | trans | -108.1 | -92.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | A157 C163 V164 E165 | A157-G161 PolarHBondContact O-N 2.99Å; G161-C163 VanDerWaalsContact C-N 3.28Å; G161-C163 PolarHBondContact O-N 3.01Å; G161-C163 VanDerWaalsContact O-N 3.15Å; G161-V164 WeakPolarHBondContact O-CB 3.49Å; G161-V164 PolarHBondContact O-N 3.36Å; G161-E165 PolarHBondContact O-N 3.14Å |
| 162 | T | 98 | Very high | 97.8 | Very high | 56 Ų | 56 | 58.9 Ų | 58.9 | 34% | 0.344 | 28% | 0.281 | S | S | . | . | I | π-helix | trans | -53.6 | -39.4 | -170.3 | -56 | 0 | 0 | 0 | 0 | 113.7 | Y158 E165 W166 | Y158-T162 HydrophobicContact CD2-CG2 4.04Å; Y158-T162 HydrophobicContact CE2-CG2 3.96Å; Y158-T162 PolarHBondContact O-N 2.84Å; T162-E165 PolarHBondContact O-N 2.71Å; T162-W166 PolarHBondContact O-N 2.79Å |
| 163 | C | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.9 | -46.1 | 177.3 | -175.4 | 0 | 0 | 0 | 0 | 111.6 | M4 C100 Y158 G161 W166 L167 | M4-C163 HydrophobicContact CE-CB 4.16Å; M4-C163 VanDerWaalsContact CE-O 3.25Å; M4-C163 WeakPolarHBondContact CE-O 3.46Å; M4-C163 WeakPolarHBondContact CE-SG 3.16Å; C100-C163 HydrophobicContact CB-CB 3.9Å; C100-C163 WeakPolarHBondContact CB-SG 3.49Å; C100-C163 PolarHBondContact N-SG 3.29Å; C100-C163 VanDerWaalsContact N-SG 3.38Å; C100-C163 WeakPolarHBondContact SG-CB 3.42Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 2.8Å; Y158-C163 HydrophobicContact CD1-CB 4.35Å; Y158-C163 HydrophobicContact CE1-CB 3.93Å; Y158-C163 WeakPolarHBondContact O-CB 3.36Å; Y158-C163 PolarHBondContact O-N 3.17Å; G161-C163 VanDerWaalsContact C-N 3.28Å; G161-C163 PolarHBondContact O-N 3.01Å; G161-C163 VanDerWaalsContact O-N 3.15Å; C163-W166 PolarHBondContact O-N 3.16Å; C163-L167 WeakPolarHBondContact O-CB 3.29Å; C163-L167 PolarHBondContact O-N 3.35Å |
| 164 | V | 98.4 | Very high | 97.7 | Very high | 8 Ų | 8 | 54.8 Ų | 54.8 | 5% | 0.048 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.8 | -40.6 | 178.5 | 173.7 | 0 | 0 | 0 | 0 | 111.1 | V102 F108 G161 L167 R168 | V102-V164 HydrophobicContact CG1-CB 4.37Å; V102-V164 HydrophobicContact CG1-CG1 3.85Å; V102-V164 HydrophobicContact CG1-CG2 3.99Å; F108-V164 HydrophobicContact CB-CG2 4.09Å; F108-V164 HydrophobicContact CD2-CG2 3.77Å; F108-V164 HydrophobicContact CG-CG2 4.42Å; G161-V164 WeakPolarHBondContact O-CB 3.49Å; G161-V164 PolarHBondContact O-N 3.36Å; V164-L167 PolarHBondContact O-N 3.15Å; V164-R168 VanDerWaalsContact O-CG 3.31Å; V164-R168 WeakPolarHBondContact O-CG 3.35Å; V164-R168 PolarHBondContact O-N 3.46Å |
| 165 | E | 98.1 | Very high | 97.6 | Very high | 127 Ų | 127 | 53 Ų | 53 | 59% | 0.593 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -60.9 | -47.3 | 176.6 | -69.4 | 174.2 | 169.3 | 0 | 0 | 111.9 | G161 T162 R168 R169 | G161-E165 PolarHBondContact O-N 3.14Å; T162-E165 PolarHBondContact O-N 2.71Å; E165-R168 PolarHBondContact O-N 3.09Å; E165-R169 PolarHBondContact O-N 3.29Å |
| 166 | W | 98 | Very high | 97.3 | Very high | 65 Ų | 65 | 60.2 Ų | 60.2 | 25% | 0.246 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.9 | -43.6 | 176.4 | -81.2 | 111 | 0 | 0 | 0 | 112.3 | M4 Y58 T162 C163 R168 R169 Y170 | M4-W166 HydrophobicContact CE-CB 4.01Å; M4-W166 HydrophobicContact SD-CB 4.31Å; Y58-W166 AromaticContact CD2-CH2 3.53Å; Y58-W166 HydrophobicContact CD2-CH2 3.53Å; Y58-W166 HydrophobicContact CD2-CZ2 4.3Å; Y58-W166 AromaticContact CD2-CZ3 3.76Å; Y58-W166 HydrophobicContact CD2-CZ3 3.76Å; Y58-W166 HydrophobicContact CE2-CE3 4.23Å; Y58-W166 AromaticContact CE2-CH2 3.81Å; Y58-W166 HydrophobicContact CE2-CH2 3.81Å; Y58-W166 HydrophobicContact CE2-CZ2 4.46Å; Y58-W166 AromaticContact CE2-CZ3 3.66Å; Y58-W166 HydrophobicContact CE2-CZ3 3.66Å; T162-W166 PolarHBondContact O-N 2.79Å; C163-W166 PolarHBondContact O-N 3.16Å; W166-R168 VanDerWaalsContact C-N 3.32Å; W166-R168 PolarHBondContact O-N 3.15Å; W166-R169 PolarHBondContact O-N 3.35Å; W166-Y170 HydrophobicContact CB-CE2 4.06Å; W166-Y170 HydrophobicContact CE3-CD1 4.39Å; W166-Y170 AromaticContact CE3-CE1 3.47Å; W166-Y170 HydrophobicContact CE3-CE1 3.47Å; W166-Y170 VanDerWaalsContact CE3-CE1 3.47Å; W166-Y170 HydrophobicContact CE3-CE2 4.42Å; W166-Y170 AromaticContact CE3-CZ 3.49Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.49Å; W166-Y170 VanDerWaalsContact CE3-OH 3.29Å; W166-Y170 AromaticContact CZ3-CE1 3.92Å; W166-Y170 HydrophobicContact CZ3-CE1 3.92Å; W166-Y170 WeakPolarHBondContact O-CD2 3.39Å; W166-Y170 PolarHBondContact O-N 3.16Å |
| 167 | L | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.7 | -44.5 | 177.5 | 177.3 | 51.4 | 0 | 0 | 0 | 111.4 | H2 M4 V27 V102 C163 V164 R169 Y170 L171 | H2-L167 HydrophobicContact CB-CD1 4.5Å; M4-L167 HydrophobicContact CB-CB 4.13Å; M4-L167 HydrophobicContact CB-CD1 3.99Å; M4-L167 HydrophobicContact CB-CD2 4.18Å; M4-L167 HydrophobicContact CB-CG 4.32Å; V27-L167 HydrophobicContact CG1-CD1 3.65Å; V27-L167 HydrophobicContact CG2-CD1 4.25Å; V102-L167 HydrophobicContact CB-CD2 4.42Å; V102-L167 HydrophobicContact CG1-CD2 3.97Å; V102-L167 HydrophobicContact CG2-CD2 3.71Å; V102-L167 HydrophobicContact CG2-CG 4.31Å; C163-L167 WeakPolarHBondContact O-CB 3.29Å; C163-L167 PolarHBondContact O-N 3.35Å; V164-L167 PolarHBondContact O-N 3.15Å; L167-R169 PolarHBondContact O-N 3.11Å; L167-Y170 PolarHBondContact O-N 3.04Å; L167-L171 HydrophobicContact CD1-CD1 3.47Å; L167-L171 VanDerWaalsContact CD1-CD1 3.47Å; L167-L171 HydrophobicContact CD1-CG 3.95Å; L167-L171 HydrophobicContact CG-CD1 3.79Å; L167-L171 WeakPolarHBondContact O-CB 3.44Å; L167-L171 WeakPolarHBondContact O-CG 3.38Å; L167-L171 PolarHBondContact O-N 3.22Å |
| 168 | R | 97 | Very high | 96.9 | Very high | 113 Ų | 113 | 55.7 Ų | 55.7 | 43% | 0.426 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.9 | -45.2 | 175.2 | -72.5 | 174.2 | -176.5 | -178.8 | 2 | 112 | W106 V164 E165 W166 Y170 L171 E172 | W106-R168 HydrophobicContact CE3-CG 4.2Å; W106-R168 PolarHBondContact O-NE 2.94Å; W106-R168 VanDerWaalsContact O-NE 3.13Å; W106-R168 PolarHBondContact O-NH2 3.05Å; V164-R168 VanDerWaalsContact O-CG 3.31Å; V164-R168 WeakPolarHBondContact O-CG 3.35Å; V164-R168 PolarHBondContact O-N 3.46Å; E165-R168 PolarHBondContact O-N 3.09Å; W166-R168 VanDerWaalsContact C-N 3.32Å; W166-R168 PolarHBondContact O-N 3.15Å; R168-Y170 PolarHBondContact O-N 3.13Å; R168-L171 PolarHBondContact O-N 2.9Å; R168-E172 PolarHBondContact O-N 2.81Å |
| 169 | R | 97 | Very high | 96.6 | Very high | 126 Ų | 126 | 56 Ų | 56 | 48% | 0.475 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -59.5 | -46 | 176.7 | -179.9 | 177.6 | 175 | 110.3 | -7.8 | 111.3 | E54 E165 W166 L167 L171 E172 N173 | E54-R169 IonicContact OE1-CZ 2.7Å; E54-R169 IonicContact OE1-NE 2.75Å; E54-R169 PolarHBondContact OE1-NE 3.04Å; E54-R169 IonicContact OE1-NH2 3.51Å; E54-R169 PolarHBondContact OE1-NH2 3.22Å; E54-R169 IonicContact OE2-CZ 3.63Å; E54-R169 IonicContact OE2-NE 3.71Å; E54-R169 PolarHBondContact OE2-NE 2.96Å; E54-R169 IonicContact OE2-NH2 2.82Å; E54-R169 PolarHBondContact OE2-NH2 2.6Å; E165-R169 PolarHBondContact O-N 3.29Å; W166-R169 PolarHBondContact O-N 3.35Å; L167-R169 PolarHBondContact O-N 3.11Å; R169-L171 VanDerWaalsContact C-N 3.35Å; R169-L171 PolarHBondContact O-N 2.95Å; R169-E172 PolarHBondContact O-N 3.17Å; R169-N173 WeakPolarHBondContact O-CB 3.22Å; R169-N173 PolarHBondContact O-N 3.17Å; R169-N173 PolarHBondContact O-OD1 3.2Å |
| 170 | Y | 97.8 | Very high | 96.4 | Very high | 1 Ų | 1 | 59.6 Ų | 59.6 | 0% | 0.004 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.2 | -36.9 | 179.2 | -61.4 | -25.8 | 0 | 0 | 0 | 112.7 | M4 V27 F32 W50 I51 Y58 W166 L167 R168 E172 N173 G174 L178 | M4-Y170 HydrophobicContact SD-CD2 3.78Å; M4-Y170 HydrophobicContact SD-CE2 3.5Å; M4-Y170 VanDerWaalsContact SD-CE2 3.5Å; V27-Y170 HydrophobicContact CG2-CD2 3.96Å; F32-Y170 HydrophobicContact CD2-CE2 4.48Å; F32-Y170 HydrophobicContact CE2-CD2 4.25Å; F32-Y170 AromaticContact CE2-CE2 3.67Å; F32-Y170 HydrophobicContact CE2-CE2 3.67Å; F32-Y170 AromaticContact CE2-CZ 4Å; F32-Y170 HydrophobicContact CZ-CD2 4.3Å; F32-Y170 AromaticContact CZ-CE2 3.8Å; F32-Y170 HydrophobicContact CZ-CE2 3.8Å; W50-Y170 HydrophobicContact CH2-CG 4.37Å; W50-Y170 HydrophobicContact CZ3-CD1 4Å; W50-Y170 AromaticContact CZ3-CG 3.83Å; W50-Y170 HydrophobicContact CZ3-CG 3.83Å; I51-Y170 HydrophobicContact CD1-CD1 3.7Å; I51-Y170 HydrophobicContact CD1-CE1 3.34Å; Y58-Y170 HydrophobicContact CE2-CE1 4.38Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.23Å; Y58-Y170 PolarHBondContact OH-OH 3.18Å; W166-Y170 HydrophobicContact CB-CE2 4.06Å; W166-Y170 HydrophobicContact CE3-CD1 4.39Å; W166-Y170 AromaticContact CE3-CE1 3.47Å; W166-Y170 HydrophobicContact CE3-CE1 3.47Å; W166-Y170 VanDerWaalsContact CE3-CE1 3.47Å; W166-Y170 HydrophobicContact CE3-CE2 4.42Å; W166-Y170 AromaticContact CE3-CZ 3.49Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.49Å; W166-Y170 VanDerWaalsContact CE3-OH 3.29Å; W166-Y170 AromaticContact CZ3-CE1 3.92Å; W166-Y170 HydrophobicContact CZ3-CE1 3.92Å; W166-Y170 WeakPolarHBondContact O-CD2 3.39Å; W166-Y170 PolarHBondContact O-N 3.16Å; L167-Y170 PolarHBondContact O-N 3.04Å; R168-Y170 PolarHBondContact O-N 3.13Å; Y170-E172 VanDerWaalsContact C-N 3.33Å; Y170-N173 PolarHBondContact O-N 2.85Å; Y170-G174 PolarHBondContact O-N 3.32Å; Y170-L178 WeakPolarHBondContact O-CD1 3.2Å |
| 171 | L | 96.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -70.3 | -29.5 | 176.7 | -74.4 | 164.6 | 0 | 0 | 0 | 113.1 | H2 V27 W106 L167 R168 R169 K175 L178 Q179 | H2-L171 HydrophobicContact CB-CD1 3.42Å; H2-L171 VanDerWaalsContact CB-CD1 3.42Å; H2-L171 HydrophobicContact CB-CD2 4.33Å; V27-L171 HydrophobicContact CG1-CD2 3.89Å; V27-L171 HydrophobicContact CG1-CG 4.17Å; W106-L171 HydrophobicContact CE3-CD1 4.49Å; W106-L171 HydrophobicContact CH2-CB 4.22Å; W106-L171 HydrophobicContact CH2-CD1 4.14Å; W106-L171 HydrophobicContact CZ3-CB 4.13Å; W106-L171 HydrophobicContact CZ3-CD1 3.48Å; W106-L171 VanDerWaalsContact CZ3-CD1 3.48Å; W106-L171 HydrophobicContact CZ3-CG 4.39Å; L167-L171 HydrophobicContact CD1-CD1 3.47Å; L167-L171 VanDerWaalsContact CD1-CD1 3.47Å; L167-L171 HydrophobicContact CD1-CG 3.95Å; L167-L171 HydrophobicContact CG-CD1 3.79Å; L167-L171 WeakPolarHBondContact O-CB 3.44Å; L167-L171 WeakPolarHBondContact O-CG 3.38Å; L167-L171 PolarHBondContact O-N 3.22Å; R168-L171 PolarHBondContact O-N 2.9Å; R169-L171 VanDerWaalsContact C-N 3.35Å; R169-L171 PolarHBondContact O-N 2.95Å; L171-K175 VanDerWaalsContact O-CA 3.22Å; L171-K175 WeakPolarHBondContact O-CA 3.4Å; L171-K175 WeakPolarHBondContact O-CB 3.48Å; L171-K175 PolarHBondContact O-N 3.22Å; L171-K175 VanDerWaalsContact O-N 3.16Å; L171-L178 HydrophobicContact CD2-CB 3.75Å; L171-L178 HydrophobicContact CD2-CD1 3.95Å; L171-L178 HydrophobicContact CD2-CG 4.47Å; L171-Q179 HydrophobicContact CD2-CG 4.42Å; L171-Q179 PolarHBondContact O-NE2 3.18Å |
| 172 | E | 96 | Very high | 96.2 | Very high | 126 Ų | 126 | 60.3 Ų | 60.3 | 59% | 0.589 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -72 | -49.1 | 170.1 | -170.1 | 60.8 | -149.8 | 0 | 0 | 110.7 | R168 R169 Y170 G174 K175 | R168-E172 PolarHBondContact O-N 2.81Å; R169-E172 PolarHBondContact O-N 3.17Å; Y170-E172 VanDerWaalsContact C-N 3.33Å; E172-G174 VanDerWaalsContact C-N 3.32Å; E172-G174 PolarHBondContact O-N 2.92Å; E172-K175 WeakPolarHBondContact O-CB 3.39Å; E172-K175 PolarHBondContact O-N 3.47Å |
| 173 | N | 96.6 | Very high | 96.2 | Very high | 44 Ų | 44 | 59.9 Ų | 59.9 | 24% | 0.235 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58 | -43.4 | 178.6 | -70 | -1.8 | 0 | 0 | 0 | 112.5 | Q53 E54 R169 Y170 | Q53-N173 PolarHBondContact NE2-ND2 3.34Å; Q53-N173 PolarHBondContact NE2-OD1 2.84Å; Q53-N173 VanDerWaalsContact NE2-OD1 3.08Å; E54-N173 PolarHBondContact OE1-ND2 3.22Å; R169-N173 WeakPolarHBondContact O-CB 3.22Å; R169-N173 PolarHBondContact O-N 3.17Å; R169-N173 PolarHBondContact O-OD1 3.2Å; Y170-N173 PolarHBondContact O-N 2.85Å |
| 174 | G | 96.1 | Very high | 96.2 | Very high | 2 Ų | 2 | 60.2 Ų | 60.2 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | 19.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | W50 Y170 E172 E176 T177 L178 | W50-G174 VanDerWaalsContact CG-CA 3.48Å; Y170-G174 PolarHBondContact O-N 3.32Å; E172-G174 VanDerWaalsContact C-N 3.32Å; E172-G174 PolarHBondContact O-N 2.92Å; G174-E176 VanDerWaalsContact C-N 3.29Å; G174-E176 PolarHBondContact O-N 2.89Å; G174-E176 VanDerWaalsContact O-N 3.16Å; G174-T177 PolarHBondContact O-N 3.46Å; G174-L178 WeakPolarHBondContact O-CB 3.39Å; G174-L178 PolarHBondContact O-N 3.03Å |
| 175 | K | 94.8 | Very high | 96.2 | Very high | 107 Ų | 107 | 66.6 Ų | 66.6 | 47% | 0.465 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -48.6 | -46.2 | -171.2 | -177.1 | 174.2 | -176.2 | 174.6 | 0 | 113.9 | L171 E172 T177 Q179 | L171-K175 VanDerWaalsContact O-CA 3.22Å; L171-K175 WeakPolarHBondContact O-CA 3.4Å; L171-K175 WeakPolarHBondContact O-CB 3.48Å; L171-K175 PolarHBondContact O-N 3.22Å; L171-K175 VanDerWaalsContact O-N 3.16Å; E172-K175 WeakPolarHBondContact O-CB 3.39Å; E172-K175 PolarHBondContact O-N 3.47Å; K175-T177 PolarHBondContact O-N 3.11Å; K175-Q179 WeakPolarHBondContact O-CB 3.42Å; K175-Q179 PolarHBondContact O-N 2.97Å; K175-Q179 VanDerWaalsContact O-N 3.14Å |
| 176 | E | 93.2 | Very high | 96.1 | Very high | 180 Ų | 180 | 62.3 Ų | 62.3 | 84% | 0.841 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -65.3 | -24.2 | -179.7 | -62.9 | -175.3 | 168.3 | 0 | 0 | 113.7 | G174 | G174-E176 VanDerWaalsContact C-N 3.29Å; G174-E176 PolarHBondContact O-N 2.89Å; G174-E176 VanDerWaalsContact O-N 3.16Å |
| 177 | T | 93.1 | Very high | 96 | Very high | 46 Ų | 46 | 63 Ų | 63 | 28% | 0.282 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -102.1 | -43.2 | -178.3 | -54.8 | 0 | 0 | 0 | 0 | 112.4 | G174 K175 R180 | G174-T177 PolarHBondContact O-N 3.46Å; K175-T177 PolarHBondContact O-N 3.11Å; T177-R180 WeakPolarHBondContact O-CD 3.22Å; T177-R180 VanDerWaalsContact O-CG 3.29Å; T177-R180 WeakPolarHBondContact O-CG 3.5Å |
| 178 | L | 94 | Very high | 95.9 | Very high | 4 Ų | 4 | 64.8 Ų | 64.8 | 2% | 0.021 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -84.7 | -28.5 | -172 | -63.2 | 171.3 | 0 | 0 | 0 | 112.7 | V27 T30 W50 Y170 L171 G174 | V27-L178 HydrophobicContact CB-CD1 4.28Å; V27-L178 HydrophobicContact CB-CD2 4.16Å; V27-L178 HydrophobicContact CG1-CD1 3.91Å; V27-L178 HydrophobicContact CG1-CD2 4.13Å; T30-L178 HydrophobicContact CG2-CD2 4.05Å; W50-L178 HydrophobicContact CD2-CD1 4.38Å; W50-L178 HydrophobicContact CH2-CD1 4.22Å; W50-L178 HydrophobicContact CZ2-CD1 3.78Å; W50-L178 HydrophobicContact CZ2-CD2 4.01Å; W50-L178 HydrophobicContact CZ2-CG 4.28Å; Y170-L178 WeakPolarHBondContact O-CD1 3.2Å; L171-L178 HydrophobicContact CD2-CB 3.75Å; L171-L178 HydrophobicContact CD2-CD1 3.95Å; L171-L178 HydrophobicContact CD2-CG 4.47Å; G174-L178 WeakPolarHBondContact O-CB 3.39Å; G174-L178 PolarHBondContact O-N 3.03Å |
| 179 | Q | 92.6 | Very high | 95.7 | Very high | 70 Ų | 70 | 61 Ų | 61 | 33% | 0.327 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -104.9 | 14.6 | 179 | -53.8 | -179.9 | 37.8 | 0 | 0 | 112.1 | L171 K175 | L171-Q179 HydrophobicContact CD2-CG 4.42Å; L171-Q179 PolarHBondContact O-NE2 3.18Å; K175-Q179 WeakPolarHBondContact O-CB 3.42Å; K175-Q179 PolarHBondContact O-N 2.97Å; K175-Q179 VanDerWaalsContact O-N 3.14Å |
| 180 | R | 94.6 | Very high | 95.6 | Very high | 78 Ų | 78 | 58.2 Ų | 58.2 | 29% | 0.294 | 29% | 0.29 | S | S | . | . | trans | -78.3 | 158.4 | 171.3 | 81 | -171.8 | 173.3 | -174.2 | 2.8 | 110.2 | T177 D182 Y208 | T177-R180 WeakPolarHBondContact O-CD 3.22Å; T177-R180 VanDerWaalsContact O-CG 3.29Å; T177-R180 WeakPolarHBondContact O-CG 3.5Å; R180-D182 IonicContact CZ-OD2 3.73Å; R180-D182 IonicContact NE-OD2 2.74Å; R180-D182 PolarHBondContact NE-OD2 2.85Å; R180-Y208 HydrophobicContact CG-CD1 3.81Å; R180-Y208 HydrophobicContact CG-CE1 4.27Å; R180-Y208 WeakPolarHBondContact O-CD1 3.04Å | ||
| 181 | T | 95.4 | Very high | 95.4 | Very high | 59 Ų | 59 | 62.3 Ų | 62.3 | 36% | 0.362 | 31% | 0.309 | S | S | . | . | trans | -135.4 | 116.4 | 170.7 | -34.9 | 0 | 0 | 0 | 0 | 108.7 | Y208 E263 | T181-Y208 WeakPolarHBondContact CA-O 3.34Å; T181-E263 HydrophobicContact CG2-CB 4.06Å; T181-E263 HydrophobicContact CG2-CG 4.18Å | ||
| 182 | D | 96.6 | Very high | 95.1 | Very high | 54 Ų | 54 | 66.1 Ų | 66.1 | 29% | 0.289 | 34% | 0.34 | S | S | . | . | B | Isolated β-bridge | trans | -105.9 | 114.2 | -179.4 | -61.1 | -38.5 | 0 | 0 | 0 | 108.2 | R180 F207 Y208 H262 | R180-D182 IonicContact CZ-OD2 3.73Å; R180-D182 IonicContact NE-OD2 2.74Å; R180-D182 PolarHBondContact NE-OD2 2.85Å; D182-F207 VanDerWaalsContact O-CA 3.25Å; D182-F207 WeakPolarHBondContact O-CA 3.43Å; D182-F207 WeakPolarHBondContact O-CB 3.2Å; D182-Y208 PolarHBondContact N-O 3.46Å; D182-Y208 PolarHBondContact O-N 3.32Å; D182-Y208 VanDerWaalsContact O-N 3.12Å; D182-H262 PolarHBondContact O-CE1 3.04Å; D182-H262 VanDerWaalsContact O-CE1 3.29Å |
| 183 | A | 97.9 | Very high | 94.8 | Very high | 47 Ų | 47 | 64.5 Ų | 64.5 | 39% | 0.388 | 34% | 0.338 | S | S | . | . | trans | -66 | 141.8 | 180 | 0 | 0 | 0 | 0 | 0 | 111.5 | K185 L265 | A183-K185 PolarHBondContact O-N 3.27Å; A183-L265 HydrophobicContact CB-CD2 4.01Å | ||
| 184 | P | 98.2 | Very high | 94.5 | Very high | 8 Ų | 8 | 64.9 Ų | 64.9 | 5% | 0.052 | 34% | 0.344 | C | S | . | . | trans | -65.3 | 130.9 | 179.8 | 27 | -34.7 | 0 | 0 | 0 | 112.3 | T186 A204 F207 I212 V260 H262 L265 | P184-T186 HydrophobicContact CB-CG2 4.1Å; P184-T186 HydrophobicContact CG-CG2 4.3Å; P184-T186 PolarHBondContact O-N 2.9Å; P184-A204 HydrophobicContact CB-CB 3.89Å; P184-F207 HydrophobicContact CB-CB 3.85Å; P184-F207 HydrophobicContact CB-CD1 4Å; P184-F207 HydrophobicContact CB-CG 4.19Å; P184-I212 HydrophobicContact CB-CD1 4.08Å; P184-I212 HydrophobicContact CG-CD1 4.13Å; P184-V260 HydrophobicContact CG-CG1 3.98Å; P184-H262 HydrophobicContact CG-CB 4.13Å; P184-L265 HydrophobicContact CG-CD1 3.85Å; P184-L265 HydrophobicContact CG-CD2 4.4Å; P184-L265 HydrophobicContact CG-CG 4.18Å | ||
| 185 | K | 98 | Very high | 94.1 | Very high | 142 Ų | 142 | 72 Ų | 72 | 62% | 0.617 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 109.6 | 164.3 | -65.2 | 177.9 | -173.6 | 169.4 | 0 | 107.8 | A183 L205 | A183-K185 PolarHBondContact O-N 3.27Å; K185-L205 HydrophobicContact CB-CB 4.49Å; K185-L205 PolarHBondContact N-O 2.9Å; K185-L205 PolarHBondContact O-N 3.28Å |
| 186 | T | 97.4 | Very high | 93.9 | Very high | 37 Ų | 37 | 73.7 Ų | 73.7 | 23% | 0.227 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 144.5 | -175.1 | 57.8 | 0 | 0 | 0 | 0 | 112.1 | P184 W203 A204 V260 L269 L271 | P184-T186 HydrophobicContact CB-CG2 4.1Å; P184-T186 HydrophobicContact CG-CG2 4.3Å; P184-T186 PolarHBondContact O-N 2.9Å; T186-W203 WeakPolarHBondContact CA-O 3.2Å; T186-W203 WeakPolarHBondContact CB-O 3.33Å; T186-A204 HydrophobicContact CG2-CB 4.39Å; T186-V260 HydrophobicContact CG2-CG1 4.33Å; T186-V260 HydrophobicContact CG2-CG2 4.15Å; T186-L269 HydrophobicContact CG2-CD1 4.44Å; T186-L271 HydrophobicContact CG2-CD1 4.07Å |
| 187 | H | 94.9 | Very high | 94 | Very high | 80 Ų | 80 | 69.5 Ų | 69.5 | 37% | 0.37 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 164.6 | 170.4 | 68.9 | -77.9 | 0 | 0 | 0 | 110.2 | W203 | H187-W203 AromaticContact CD2-CD1 3.87Å; H187-W203 WeakPolarHBondContact CE1-CB 3.48Å; H187-W203 AromaticContact CE1-CD1 3.73Å; H187-W203 AromaticContact CE1-CG 3.45Å; H187-W203 VanDerWaalsContact CE1-CG 3.45Å; H187-W203 PolarHBondContact N-O 3.12Å; H187-W203 AromaticContact NE2-CD1 3.36Å; H187-W203 AromaticContact NE2-CG 3.58Å; H187-W203 AromaticContact NE2-NE1 3.9Å; H187-W203 PolarHBondContact O-N 2.88Å |
| 188 | M | 95.4 | Very high | 94 | Very high | 37 Ų | 37 | 67.3 Ų | 67.3 | 18% | 0.182 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 141.7 | 175 | -76.6 | -167.7 | 163.8 | 0 | 0 | 111.3 | R201 C202 W216 C258 L271 W273 | M188-R201 WeakPolarHBondContact CA-O 3.38Å; M188-C202 HydrophobicContact CE-CB 4.49Å; M188-W216 HydrophobicContact CE-CH2 3.2Å; M188-W216 HydrophobicContact CE-CZ2 4Å; M188-W216 HydrophobicContact CE-CZ3 3.63Å; M188-W216 HydrophobicContact SD-CH2 4.13Å; M188-C258 HydrophobicContact CE-CB 3.41Å; M188-C258 VanDerWaalsContact CE-CB 3.41Å; M188-L271 HydrophobicContact CE-CB 3.76Å; M188-L271 VanDerWaalsContact CE-O 3.27Å; M188-L271 WeakPolarHBondContact CE-O 3.44Å; M188-L271 HydrophobicContact SD-CB 4.44Å; M188-W273 WeakPolarHBondContact SD-CA 3.19Å; M188-W273 HydrophobicContact SD-CB 3.84Å; M188-W273 PolarHBondContact SD-N 3.26Å |
| 189 | T | 94.7 | Very high | 94.1 | Very high | 33 Ų | 33 | 68.2 Ų | 68.2 | 20% | 0.202 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 141.7 | 170.1 | 51.3 | 0 | 0 | 0 | 0 | 109.3 | R201 W203 | T189-R201 PolarHBondContact N-O 3.2Å; T189-R201 PolarHBondContact O-N 2.69Å; T189-R201 WeakPolarHBondContact OG1-CB 3.42Å; T189-R201 PolarHBondContact OG1-O 3.4Å; T189-W203 PolarHBondContact OG1-NE1 3.17Å |
| 190 | H | 94.3 | Very high | 94.3 | Very high | 67 Ų | 67 | 64.9 Ų | 64.9 | 31% | 0.31 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 127.9 | 177.4 | 165.1 | -78.7 | 0 | 0 | 0 | 108.9 | A198 L200 W273 | H190-A198 WeakPolarHBondContact NE2-CB 3.01Å; H190-L200 HydrophobicContact CB-CD2 3.97Å; H190-W273 HydrophobicContact CB-CZ2 4.11Å; H190-W273 AromaticContact CD2-CZ2 3.96Å; H190-W273 AromaticContact CG-CE2 3.96Å; H190-W273 AromaticContact CG-CZ2 3.92Å; H190-W273 AromaticContact CG-NE1 4Å |
| 191 | H | 92.8 | Very high | 94.5 | Very high | 88 Ų | 88 | 63.6 Ų | 63.6 | 41% | 0.407 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 113 | 178.4 | -59.8 | -75.1 | 0 | 0 | 0 | 109.1 | V193 A198 T199 R201 | H191-V193 PolarHBondContact O-N 3.24Å; H191-A198 CarbonylContact O-C 3.52Å; H191-A198 VanDerWaalsContact O-CA 3.31Å; H191-A198 WeakPolarHBondContact O-CA 3.37Å; H191-T199 PolarHBondContact N-O 3.27Å; H191-T199 PolarHBondContact O-N 2.86Å; H191-R201 PolarHBondContact CD2-NH1 2.65Å; H191-R201 VanDerWaalsContact CD2-NH1 3.32Å; H191-R201 PolarHBondContact NE2-NH1 3.01Å |
| 192 | A | 91.4 | Very high | 94.6 | Very high | 79 Ų | 79 | 60.8 Ų | 60.8 | 65% | 0.653 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 128 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||
| 193 | V | 88.8 | Confident | 94.6 | Very high | 92 Ų | 92 | 60.4 Ų | 60.4 | 56% | 0.558 | 32% | 0.321 | S | S | * | . | trans | -99.1 | -41.5 | 176.7 | -179.4 | 0 | 0 | 0 | 0 | 109.6 | H191 E197 T199 | H191-V193 PolarHBondContact O-N 3.24Å; V193-E197 PolarHBondContact N-O 3.49Å; V193-T199 WeakPolarHBondContact CG2-OG1 3.26Å | ||
| 194 | S | 90.1 | Very high | 94.7 | Very high | 52 Ų | 52 | 58.1 Ų | 58.1 | 36% | 0.364 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -149.4 | -178.6 | 174.5 | 71.2 | 0 | 0 | 0 | 0 | 110.4 | H196 E197 | S194-H196 PolarHBondContact O-N 2.87Å; S194-H196 VanDerWaalsContact O-N 3.15Å; S194-H196 PolarHBondContact OG-N 3.25Å; S194-E197 PolarHBondContact N-O 3.08Å; S194-E197 PolarHBondContact O-N 3.22Å; S194-E197 VanDerWaalsContact O-O 3.06Å; S194-E197 PolarHBondContact OG-N 3.1Å |
| 195 | D | 87.5 | Confident | 94.7 | Very high | 152 Ų | 152 | 60 Ų | 60 | 81% | 0.813 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -65.7 | -10.2 | 172.5 | -65.1 | -22.1 | 0 | 0 | 0 | 113.4 | ||
| 196 | H | 91.5 | Very high | 94.7 | Very high | 143 Ų | 143 | 55.2 Ų | 55.2 | 66% | 0.662 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -115.2 | -14.9 | -176.4 | -56.9 | -43 | 0 | 0 | 0 | 113.4 | S194 P249 S250 | S194-H196 PolarHBondContact O-N 2.87Å; S194-H196 VanDerWaalsContact O-N 3.15Å; S194-H196 PolarHBondContact OG-N 3.25Å; H196-P249 CarbonylContact O-C 3.58Å; H196-P249 WeakPolarHBondContact O-CA 3.47Å; H196-S250 PolarHBondContact O-N 2.98Å; H196-S250 PolarHBondContact O-OG 3.41Å |
| 197 | E | 94.2 | Very high | 94.7 | Very high | 92 Ų | 92 | 53.5 Ų | 53.5 | 43% | 0.43 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 144 | -171 | -66.3 | -179.7 | 173.7 | 0 | 0 | 112.4 | V193 S194 V247 V248 S250 | V193-E197 PolarHBondContact N-O 3.49Å; S194-E197 PolarHBondContact N-O 3.08Å; S194-E197 PolarHBondContact O-N 3.22Å; S194-E197 VanDerWaalsContact O-O 3.06Å; S194-E197 PolarHBondContact OG-N 3.1Å; E197-V247 HydrophobicContact CB-CG1 4.16Å; E197-V247 HydrophobicContact CG-CG1 4.36Å; E197-V248 WeakPolarHBondContact CA-O 3.34Å; E197-S250 PolarHBondContact N-OG 3.05Å |
| 198 | A | 94.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 155 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | H190 H191 V247 V248 | H190-A198 WeakPolarHBondContact NE2-CB 3.01Å; H191-A198 CarbonylContact O-C 3.52Å; H191-A198 VanDerWaalsContact O-CA 3.31Å; H191-A198 WeakPolarHBondContact O-CA 3.37Å; A198-V247 WeakPolarHBondContact O-CA 2.99Å; A198-V248 HydrophobicContact CB-CG2 4.34Å; A198-V248 PolarHBondContact N-O 2.99Å; A198-V248 WeakPolarHBondContact O-CG2 3.35Å; A198-V248 PolarHBondContact O-N 3.41Å |
| 199 | T | 96.1 | Very high | 94.8 | Very high | 23 Ų | 23 | 49.1 Ų | 49.1 | 14% | 0.141 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 121.2 | 168.1 | -54.9 | 0 | 0 | 0 | 0 | 109.1 | H191 V193 A245 V246 | H191-T199 PolarHBondContact N-O 3.27Å; H191-T199 PolarHBondContact O-N 2.86Å; V193-T199 WeakPolarHBondContact CG2-OG1 3.26Å; T199-A245 HydrophobicContact CG2-CB 3.9Å; T199-V246 WeakPolarHBondContact CA-O 3.41Å |
| 200 | L | 96.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 129.1 | 164.8 | -64.3 | -178 | 0 | 0 | 0 | 108.8 | H190 W216 A245 V246 V248 E253 W273 | H190-L200 HydrophobicContact CB-CD2 3.97Å; L200-W216 HydrophobicContact CB-CH2 3.6Å; L200-W216 HydrophobicContact CB-CZ2 3.91Å; L200-W216 HydrophobicContact CB-CZ3 4.45Å; L200-W216 HydrophobicContact CD1-CH2 4.06Å; L200-W216 HydrophobicContact CD1-CZ3 4.27Å; L200-W216 HydrophobicContact CG-CH2 4.5Å; L200-A245 CarbonylContact O-C 3.57Å; L200-A245 WeakPolarHBondContact O-CA 3.35Å; L200-V246 HydrophobicContact CB-CG1 4.32Å; L200-V246 PolarHBondContact N-O 2.91Å; L200-V246 PolarHBondContact O-N 3.41Å; L200-V248 HydrophobicContact CD1-CG1 3.98Å; L200-V248 HydrophobicContact CD1-CG2 4.04Å; L200-V248 HydrophobicContact CG-CG1 4.18Å; L200-V248 HydrophobicContact CG-CG2 3.85Å; L200-E253 HydrophobicContact CD1-CB 4.05Å; L200-E253 HydrophobicContact CD1-CG 4.41Å; L200-E253 HydrophobicContact CD2-CG 4.32Å; L200-W273 HydrophobicContact CD1-CB 4.21Å; L200-W273 HydrophobicContact CD2-CB 3.93Å; L200-W273 HydrophobicContact CD2-CD2 4.29Å; L200-W273 HydrophobicContact CD2-CG 3.77Å |
| 201 | R | 97.4 | Very high | 95 | Very high | 50 Ų | 50 | 52 Ų | 52 | 19% | 0.189 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 124.1 | 175.2 | -179.7 | -174.6 | -58.8 | 113.1 | -0.1 | 110.4 | M188 T189 H191 W203 W243 A244 A245 | M188-R201 WeakPolarHBondContact CA-O 3.38Å; T189-R201 PolarHBondContact N-O 3.2Å; T189-R201 PolarHBondContact O-N 2.69Å; T189-R201 WeakPolarHBondContact OG1-CB 3.42Å; T189-R201 PolarHBondContact OG1-O 3.4Å; H191-R201 PolarHBondContact CD2-NH1 2.65Å; H191-R201 VanDerWaalsContact CD2-NH1 3.32Å; H191-R201 PolarHBondContact NE2-NH1 3.01Å; R201-W203 HydrophobicContact CG-CZ2 4.4Å; R201-W243 HydrophobicContact CG-CB 4.02Å; R201-W243 HydrophobicContact CG-CD2 4.13Å; R201-W243 HydrophobicContact CG-CE3 3.85Å; R201-W243 HydrophobicContact CG-CG 4.25Å; R201-A244 WeakPolarHBondContact CA-O 3.34Å; R201-A245 HydrophobicContact CB-CB 3.94Å; R201-A245 HydrophobicContact CG-CB 4.09Å |
| 202 | C | 97.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 121.8 | 176.9 | -177.1 | 0 | 0 | 0 | 0 | 109.2 | M188 W216 W243 A244 C258 | M188-C202 HydrophobicContact CE-CB 4.49Å; C202-W216 HydrophobicContact CB-CZ2 3.73Å; C202-W243 CarbonylContact O-C 3.58Å; C202-W243 WeakPolarHBondContact O-CA 3.43Å; C202-W243 VanDerWaalsContact O-CB 3.22Å; C202-W243 WeakPolarHBondContact O-CB 3.46Å; C202-A244 PolarHBondContact N-O 3.07Å; C202-A244 PolarHBondContact O-N 2.77Å; C202-C258 HydrophobicContact CB-CB 3.5Å; C202-C258 WeakPolarHBondContact CB-SG 3.45Å; C202-C258 WeakPolarHBondContact SG-CB 3.24Å; C202-C258 CovalentContact SG-SG 2.03Å; C202-C258 PolarHBondContact SG-SG 3.44Å |
| 203 | W | 98.1 | Very high | 95.6 | Very high | 46 Ų | 46 | 47.4 Ų | 47.4 | 17% | 0.174 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 140.6 | -179.3 | -67.3 | 88.5 | 0 | 0 | 0 | 110.7 | T186 H187 T189 R201 L205 W243 | T186-W203 WeakPolarHBondContact CA-O 3.2Å; T186-W203 WeakPolarHBondContact CB-O 3.33Å; H187-W203 AromaticContact CD2-CD1 3.87Å; H187-W203 WeakPolarHBondContact CE1-CB 3.48Å; H187-W203 AromaticContact CE1-CD1 3.73Å; H187-W203 AromaticContact CE1-CG 3.45Å; H187-W203 VanDerWaalsContact CE1-CG 3.45Å; H187-W203 PolarHBondContact N-O 3.12Å; H187-W203 AromaticContact NE2-CD1 3.36Å; H187-W203 AromaticContact NE2-CG 3.58Å; H187-W203 AromaticContact NE2-NE1 3.9Å; H187-W203 PolarHBondContact O-N 2.88Å; T189-W203 PolarHBondContact OG1-NE1 3.17Å; R201-W203 HydrophobicContact CG-CZ2 4.4Å; W203-L205 HydrophobicContact CE3-CD2 3.99Å; W203-W243 HydrophobicContact CD2-CB 3.96Å; W203-W243 HydrophobicContact CD2-CG 4.45Å; W203-W243 HydrophobicContact CE3-CB 3.84Å; W203-W243 AromaticContact CE3-CD1 3.83Å; W203-W243 HydrophobicContact CE3-CG 4.12Å; W203-W243 HydrophobicContact CG-CB 4.38Å; W203-W243 AromaticContact CH2-CD1 3.74Å; W203-W243 HydrophobicContact CH2-CG 4.3Å; W203-W243 HydrophobicContact CZ3-CB 4.28Å; W203-W243 AromaticContact CZ3-CD1 3.39Å; W203-W243 HydrophobicContact CZ3-CG 4.05Å |
| 204 | A | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 120.7 | 163.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | P184 T186 F207 I212 L214 Q241 K242 | P184-A204 HydrophobicContact CB-CB 3.89Å; T186-A204 HydrophobicContact CG2-CB 4.39Å; A204-F207 HydrophobicContact CB-CD1 4.11Å; A204-F207 HydrophobicContact CB-CE1 3.91Å; A204-F207 WeakPolarHBondContact O-CE1 3.41Å; A204-I212 HydrophobicContact CB-CD1 3.71Å; A204-L214 HydrophobicContact CB-CD1 4.11Å; A204-L214 HydrophobicContact CB-CD2 4.26Å; A204-Q241 CarbonylContact O-C 3.58Å; A204-Q241 VanDerWaalsContact O-CA 3.28Å; A204-Q241 WeakPolarHBondContact O-CA 3.33Å; A204-K242 PolarHBondContact N-O 2.99Å; A204-K242 PolarHBondContact O-N 3.35Å; A204-K242 VanDerWaalsContact O-O 3.08Å |
| 205 | L | 98.2 | Very high | 96.3 | Very high | 48 Ų | 48 | 42.8 Ų | 42.8 | 25% | 0.251 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 155.8 | -175.1 | -58.9 | 179.6 | 0 | 0 | 0 | 111.2 | K185 W203 F207 Q241 | K185-L205 HydrophobicContact CB-CB 4.49Å; K185-L205 PolarHBondContact N-O 2.9Å; K185-L205 PolarHBondContact O-N 3.28Å; W203-L205 HydrophobicContact CE3-CD2 3.99Å; L205-F207 VanDerWaalsContact C-N 3.31Å; L205-F207 PolarHBondContact O-N 3.42Å; L205-Q241 HydrophobicContact CD2-CB 3.57Å |
| 206 | S | 97.6 | Very high | 96.8 | Very high | 41 Ų | 41 | 35.7 Ų | 35.7 | 29% | 0.287 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 54.3 | 42.5 | 171 | -55.8 | 0 | 0 | 0 | 0 | 114 | T239 F240 | S206-T239 WeakPolarHBondContact CA-OG1 3.37Å; S206-F240 PolarHBondContact N-O 3.32Å |
| 207 | F | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 157.2 | 177.8 | 61.4 | -91.3 | 0 | 0 | 0 | 112.6 | D182 P184 A204 L205 P209 I212 T232 T239 F240 K242 H262 | D182-F207 VanDerWaalsContact O-CA 3.25Å; D182-F207 WeakPolarHBondContact O-CA 3.43Å; D182-F207 WeakPolarHBondContact O-CB 3.2Å; P184-F207 HydrophobicContact CB-CB 3.85Å; P184-F207 HydrophobicContact CB-CD1 4Å; P184-F207 HydrophobicContact CB-CG 4.19Å; A204-F207 HydrophobicContact CB-CD1 4.11Å; A204-F207 HydrophobicContact CB-CE1 3.91Å; A204-F207 WeakPolarHBondContact O-CE1 3.41Å; L205-F207 VanDerWaalsContact C-N 3.31Å; L205-F207 PolarHBondContact O-N 3.42Å; F207-P209 VanDerWaalsContact CD2-O 3.31Å; F207-P209 WeakPolarHBondContact CD2-O 3.15Å; F207-I212 HydrophobicContact CD1-CD1 3.95Å; F207-I212 HydrophobicContact CD2-CB 4.34Å; F207-I212 HydrophobicContact CD2-CD1 4.04Å; F207-I212 HydrophobicContact CE1-CD1 3.84Å; F207-I212 HydrophobicContact CE1-CG2 4.41Å; F207-I212 HydrophobicContact CE2-CB 3.76Å; F207-I212 HydrophobicContact CE2-CD1 3.95Å; F207-I212 HydrophobicContact CE2-CG1 4.44Å; F207-I212 HydrophobicContact CE2-CG2 3.6Å; F207-I212 HydrophobicContact CG-CD1 4.06Å; F207-I212 HydrophobicContact CZ-CB 4.09Å; F207-I212 HydrophobicContact CZ-CD1 3.87Å; F207-I212 HydrophobicContact CZ-CG2 3.51Å; F207-T232 HydrophobicContact CE2-CG2 4.08Å; F207-T232 HydrophobicContact CZ-CG2 3.84Å; F207-T239 WeakPolarHBondContact O-CA 3.2Å; F207-F240 VanDerWaalsContact CD1-O 3.27Å; F207-F240 WeakPolarHBondContact CD1-O 3.48Å; F207-F240 HydrophobicContact CD2-CB 3.93Å; F207-F240 HydrophobicContact CE1-CB 4.22Å; F207-F240 WeakPolarHBondContact CE1-O 3.45Å; F207-F240 HydrophobicContact CE2-CB 3.48Å; F207-F240 VanDerWaalsContact CE2-CB 3.48Å; F207-F240 HydrophobicContact CE2-CG 4.45Å; F207-F240 HydrophobicContact CG-CB 4.45Å; F207-F240 HydrophobicContact CZ-CB 3.62Å; F207-F240 PolarHBondContact N-O 3.01Å; F207-F240 PolarHBondContact O-N 2.92Å; F207-K242 HydrophobicContact CE1-CB 4.33Å; F207-K242 HydrophobicContact CZ-CB 4.14Å; F207-H262 AromaticContact CD2-CD2 3.85Å; F207-H262 AromaticContact CD2-NE2 3.64Å |
| 208 | Y | 96.8 | Very high | 97.2 | Very high | 3 Ų | 3 | 30.3 Ų | 30.3 | 1% | 0.012 | 15% | 0.153 | C | C | . | . | B | Isolated β-bridge | trans | -152 | 135.3 | 174 | -178.7 | -85 | 0 | 0 | 0 | 109.3 | T30 R180 T181 D182 G238 F240 H262 | T30-Y208 PolarHBondContact OG1-OH 2.94Å; R180-Y208 HydrophobicContact CG-CD1 3.81Å; R180-Y208 HydrophobicContact CG-CE1 4.27Å; R180-Y208 WeakPolarHBondContact O-CD1 3.04Å; T181-Y208 WeakPolarHBondContact CA-O 3.34Å; D182-Y208 PolarHBondContact N-O 3.46Å; D182-Y208 PolarHBondContact O-N 3.32Å; D182-Y208 VanDerWaalsContact O-N 3.12Å; Y208-G238 WeakPolarHBondContact CD2-O 3.45Å; Y208-F240 HydrophobicContact CD2-CD2 4.33Å; Y208-F240 AromaticContact CD2-CE2 3.86Å; Y208-F240 HydrophobicContact CD2-CE2 3.86Å; Y208-F240 HydrophobicContact CE2-CE2 4.25Å; Y208-H262 PolarHBondContact O-CE1 3.38Å |
| 209 | P | 96.1 | Very high | 97.2 | Very high | 23 Ų | 23 | 35 Ų | 35 | 15% | 0.149 | 18% | 0.179 | C | C | . | . | S | Bend | cis | -76.1 | -179.8 | 4.8 | 32.5 | -37.6 | 0 | 0 | 0 | 113.4 | F207 E211 H262 | F207-P209 VanDerWaalsContact CD2-O 3.31Å; F207-P209 WeakPolarHBondContact CD2-O 3.15Å; P209-E211 VanDerWaalsContact C-N 3.29Å; P209-E211 PolarHBondContact O-N 2.81Å; P209-H262 PolarHBondContact O-NE2 3.35Å |
| 210 | A | 97 | Very high | 97 | Very high | 15 Ų | 15 | 36.2 Ų | 36.2 | 12% | 0.124 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -69.1 | -24.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | D29 I212 T232 F240 | D29-A210 HydrophobicContact CB-CB 4.15Å; D29-A210 VanDerWaalsContact CG-CB 3.48Å; D29-A210 VanDerWaalsContact OD2-CB 3.29Å; D29-A210 WeakPolarHBondContact OD2-CB 3.18Å; D29-A210 PolarHBondContact OD2-N 3.01Å; A210-I212 PolarHBondContact O-N 2.92Å; A210-I212 VanDerWaalsContact O-N 3.17Å; A210-T232 HydrophobicContact CB-CG2 4.23Å; A210-T232 WeakPolarHBondContact O-CG2 3.34Å; A210-F240 HydrophobicContact CB-CD1 3.7Å; A210-F240 HydrophobicContact CB-CD2 3.72Å; A210-F240 HydrophobicContact CB-CE1 3.68Å; A210-F240 HydrophobicContact CB-CE2 3.72Å; A210-F240 HydrophobicContact CB-CG 3.74Å; A210-F240 HydrophobicContact CB-CZ 3.73Å |
| 211 | E | 96.8 | Very high | 96.9 | Very high | 146 Ų | 146 | 42.4 Ų | 42.4 | 68% | 0.682 | 22% | 0.224 | S | C | * | . | trans | -64.7 | 114.9 | 179.2 | -171.7 | 59.1 | -146.3 | 0 | 0 | 110.3 | P209 H262 | P209-E211 VanDerWaalsContact C-N 3.29Å; P209-E211 PolarHBondContact O-N 2.81Å; E211-H262 PolarHBondContact O-CD2 2.99Å | ||
| 212 | I | 97.8 | Very high | 96.8 | Very high | 11 Ų | 11 | 44.8 Ų | 44.8 | 6% | 0.056 | 24% | 0.241 | C | C | . | . | trans | -151.6 | 142.8 | -179.4 | -164 | 170.7 | 0 | 0 | 0 | 109.3 | P184 A204 F207 A210 L214 K242 V260 Q261 H262 | P184-I212 HydrophobicContact CB-CD1 4.08Å; P184-I212 HydrophobicContact CG-CD1 4.13Å; A204-I212 HydrophobicContact CB-CD1 3.71Å; F207-I212 HydrophobicContact CD1-CD1 3.95Å; F207-I212 HydrophobicContact CD2-CB 4.34Å; F207-I212 HydrophobicContact CD2-CD1 4.04Å; F207-I212 HydrophobicContact CE1-CD1 3.84Å; F207-I212 HydrophobicContact CE1-CG2 4.41Å; F207-I212 HydrophobicContact CE2-CB 3.76Å; F207-I212 HydrophobicContact CE2-CD1 3.95Å; F207-I212 HydrophobicContact CE2-CG1 4.44Å; F207-I212 HydrophobicContact CE2-CG2 3.6Å; F207-I212 HydrophobicContact CG-CD1 4.06Å; F207-I212 HydrophobicContact CZ-CB 4.09Å; F207-I212 HydrophobicContact CZ-CD1 3.87Å; F207-I212 HydrophobicContact CZ-CG2 3.51Å; A210-I212 PolarHBondContact O-N 2.92Å; A210-I212 VanDerWaalsContact O-N 3.17Å; I212-L214 HydrophobicContact CB-CD1 4.49Å; I212-L214 HydrophobicContact CD1-CD1 3.7Å; I212-L214 HydrophobicContact CG1-CD1 3.66Å; I212-L214 HydrophobicContact CG2-CD1 4.13Å; I212-K242 HydrophobicContact CG2-CB 4.24Å; I212-K242 HydrophobicContact CG2-CD 3.55Å; I212-V260 HydrophobicContact CD1-CG1 3.95Å; I212-V260 HydrophobicContact CG1-CG1 4.29Å; I212-Q261 VanDerWaalsContact CG1-O 3.31Å; I212-Q261 WeakPolarHBondContact CG1-O 3.1Å; I212-H262 HydrophobicContact CD1-CB 4.28Å; I212-H262 HydrophobicContact CG1-CB 4.05Å | ||
| 213 | T | 97.8 | Very high | 96.6 | Very high | 58 Ų | 58 | 45.4 Ų | 45.4 | 36% | 0.356 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 124.4 | 174.1 | -62.5 | 0 | 0 | 0 | 0 | 110.1 | T215 V260 Q261 | T213-T215 HydrophobicContact CG2-CG2 3.99Å; T213-V260 WeakPolarHBondContact O-CA 3.4Å; T213-Q261 PolarHBondContact N-O 3.09Å; T213-Q261 PolarHBondContact O-N 2.83Å |
| 214 | L | 97.8 | Very high | 96 | Very high | 6 Ų | 6 | 48.5 Ų | 48.5 | 3% | 0.031 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 122.2 | 172.8 | -87 | 61.6 | 0 | 0 | 0 | 108.4 | A204 I212 L229 K242 A244 H259 V260 | A204-L214 HydrophobicContact CB-CD1 4.11Å; A204-L214 HydrophobicContact CB-CD2 4.26Å; I212-L214 HydrophobicContact CB-CD1 4.49Å; I212-L214 HydrophobicContact CD1-CD1 3.7Å; I212-L214 HydrophobicContact CG1-CD1 3.66Å; I212-L214 HydrophobicContact CG2-CD1 4.13Å; L214-L229 HydrophobicContact CB-CD1 4.09Å; L214-K242 HydrophobicContact CD1-CD 4.24Å; L214-K242 HydrophobicContact CD2-CB 4.35Å; L214-K242 HydrophobicContact CD2-CD 4.47Å; L214-K242 HydrophobicContact CD2-CG 4.36Å; L214-A244 HydrophobicContact CB-CB 4.07Å; L214-A244 HydrophobicContact CD2-CB 4.28Å; L214-H259 WeakPolarHBondContact CA-O 3.34Å; L214-V260 HydrophobicContact CD1-CG1 4.05Å; L214-V260 HydrophobicContact CG-CG2 4.32Å |
| 215 | T | 97 | Very high | 95.4 | Very high | 42 Ų | 42 | 57.4 Ų | 57.4 | 26% | 0.258 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 150 | 175.8 | 59.3 | 0 | 0 | 0 | 0 | 111.6 | T213 C258 H259 | T213-T215 HydrophobicContact CG2-CG2 3.99Å; T215-C258 CarbonylContact O-C 3.52Å; T215-C258 WeakPolarHBondContact O-CA 3.46Å; T215-H259 PolarHBondContact N-O 3.2Å; T215-H259 PolarHBondContact O-N 3.43Å |
| 216 | W | 97.6 | Very high | 94.7 | Very high | 3 Ų | 3 | 60.4 Ų | 60.4 | 1% | 0.011 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 137.5 | 170.6 | -82.3 | 102.5 | 0 | 0 | 0 | 110.2 | M188 L200 C202 Q223 A244 V246 T257 C258 | M188-W216 HydrophobicContact CE-CH2 3.2Å; M188-W216 HydrophobicContact CE-CZ2 4Å; M188-W216 HydrophobicContact CE-CZ3 3.63Å; M188-W216 HydrophobicContact SD-CH2 4.13Å; L200-W216 HydrophobicContact CB-CH2 3.6Å; L200-W216 HydrophobicContact CB-CZ2 3.91Å; L200-W216 HydrophobicContact CB-CZ3 4.45Å; L200-W216 HydrophobicContact CD1-CH2 4.06Å; L200-W216 HydrophobicContact CD1-CZ3 4.27Å; L200-W216 HydrophobicContact CG-CH2 4.5Å; C202-W216 HydrophobicContact CB-CZ2 3.73Å; W216-Q223 HydrophobicContact CB-CB 4.22Å; W216-Q223 PolarHBondContact O-N 3.34Å; W216-A244 PolarHBondContact NE1-O 3.08Å; W216-V246 HydrophobicContact CD2-CB 4.32Å; W216-V246 HydrophobicContact CD2-CG1 3.57Å; W216-V246 HydrophobicContact CE3-CG1 3.83Å; W216-V246 HydrophobicContact CG-CB 4.17Å; W216-V246 HydrophobicContact CG-CG1 3.94Å; W216-V246 HydrophobicContact CH2-CG1 4.28Å; W216-V246 HydrophobicContact CZ2-CG1 4.07Å; W216-V246 HydrophobicContact CZ3-CG1 4.19Å; W216-T257 WeakPolarHBondContact CA-O 3.45Å; W216-T257 VanDerWaalsContact CE3-C 3.47Å; W216-C258 HydrophobicContact CD2-CB 4.21Å; W216-C258 HydrophobicContact CE3-CB 4.19Å; W216-C258 HydrophobicContact CH2-CB 4.15Å; W216-C258 HydrophobicContact CZ2-CB 4.14Å; W216-C258 HydrophobicContact CZ3-CB 4.15Å |
| 217 | Q | 97.3 | Very high | 94.5 | Very high | 43 Ų | 43 | 59.5 Ų | 59.5 | 20% | 0.201 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 146.9 | 171.4 | -68.5 | -172.8 | -11 | 0 | 0 | 110.4 | E221 D222 Y256 T257 H259 | Q217-E221 CarbonylContact C-O 3.59Å; Q217-E221 VanDerWaalsContact CA-O 3.25Å; Q217-E221 WeakPolarHBondContact CA-O 3.33Å; Q217-D222 VanDerWaalsContact CG-OD1 3.26Å; Q217-D222 WeakPolarHBondContact CG-OD1 3.32Å; Q217-D222 PolarHBondContact NE2-OD1 2.94Å; Q217-Y256 CarbonylContact O-C 3.51Å; Q217-Y256 VanDerWaalsContact O-CA 3.27Å; Q217-Y256 WeakPolarHBondContact O-CA 3.46Å; Q217-T257 PolarHBondContact N-O 3.24Å; Q217-T257 PolarHBondContact O-N 2.96Å; Q217-H259 PolarHBondContact OE1-NE2 3.42Å |
| 218 | R | 96.4 | Very high | 94.4 | Very high | 78 Ų | 78 | 65 Ų | 65 | 29% | 0.294 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 116.2 | 168.3 | -178 | -178.8 | 67.8 | -164.4 | -5 | 108.4 | G220 E221 Q223 R255 Y256 | R218-G220 PolarHBondContact O-N 3.31Å; R218-E221 PolarHBondContact N-O 2.88Å; R218-E221 PolarHBondContact O-N 3.5Å; R218-Q223 HydrophobicContact CB-CG 3.94Å; R218-R255 WeakPolarHBondContact CA-O 3.34Å; R218-R255 HydrophobicContact CG-CB 4.32Å; R218-Y256 HydrophobicContact CB-CD1 4.13Å; R218-Y256 HydrophobicContact CB-CE1 3.99Å; R218-Y256 WeakPolarHBondContact CD-OH 3.44Å; R218-Y256 HydrophobicContact CG-CD2 4.44Å; R218-Y256 HydrophobicContact CG-CE1 4.22Å; R218-Y256 HydrophobicContact CG-CE2 4.1Å |
| 219 | D | 94.3 | Very high | 94.4 | Very high | 100 Ų | 100 | 69 Ų | 69 | 54% | 0.535 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | 30.4 | -174.6 | -53.2 | -49.1 | 0 | 0 | 0 | 114.2 | R255 | D219-R255 PolarHBondContact N-O 2.84Å; D219-R255 WeakPolarHBondContact OD1-CB 3.33Å; D219-R255 IonicContact OD1-NE 3.48Å; D219-R255 PolarHBondContact OD1-NE 2.93Å; D219-R255 IonicContact OD2-CZ 3.07Å; D219-R255 IonicContact OD2-NE 2.76Å; D219-R255 PolarHBondContact OD2-NE 2.84Å; D219-R255 IonicContact OD2-NH2 2.62Å; D219-R255 PolarHBondContact OD2-NH2 2.67Å |
| 220 | G | 91.6 | Very high | 94.4 | Very high | 48 Ų | 48 | 69.6 Ų | 69.6 | 50% | 0.495 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.1 | -3.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | R218 | R218-G220 PolarHBondContact O-N 3.31Š|
| 221 | E | 95.1 | Very high | 94.3 | Very high | 130 Ų | 130 | 77.1 Ų | 77.1 | 61% | 0.607 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 127.8 | 175.6 | -63.8 | -175.9 | 166.3 | 0 | 0 | 111.8 | Q217 R218 Q223 | Q217-E221 CarbonylContact C-O 3.59Å; Q217-E221 VanDerWaalsContact CA-O 3.25Å; Q217-E221 WeakPolarHBondContact CA-O 3.33Å; R218-E221 PolarHBondContact N-O 2.88Å; R218-E221 PolarHBondContact O-N 3.5Å; E221-Q223 PolarHBondContact O-NE2 3.43Å |
| 222 | D | 95.1 | Very high | 94.4 | Very high | 99 Ų | 99 | 72.3 Ų | 72.3 | 53% | 0.529 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 136.2 | -179.9 | -69.2 | -26.5 | 0 | 0 | 0 | 112.6 | Q217 | Q217-D222 VanDerWaalsContact CG-OD1 3.26Å; Q217-D222 WeakPolarHBondContact CG-OD1 3.32Å; Q217-D222 PolarHBondContact NE2-OD1 2.94Å |
| 223 | Q | 94.1 | Very high | 94.3 | Very high | 13 Ų | 13 | 76.3 Ų | 76.3 | 6% | 0.061 | 40% | 0.396 | C | S | . | . | trans | -109.2 | 39.6 | -177.5 | -57.9 | -60.2 | -73.6 | 0 | 0 | 112.3 | W216 R218 E221 Q225 D226 T227 Y256 | W216-Q223 HydrophobicContact CB-CB 4.22Å; W216-Q223 PolarHBondContact O-N 3.34Å; R218-Q223 HydrophobicContact CB-CG 3.94Å; E221-Q223 PolarHBondContact O-NE2 3.43Å; Q223-Q225 VanDerWaalsContact C-N 3.33Å; Q223-Q225 PolarHBondContact O-N 2.76Å; Q223-D226 PolarHBondContact O-N 3.45Å; Q223-T227 WeakPolarHBondContact O-CB 3.29Å; Q223-T227 PolarHBondContact O-N 2.9Å; Q223-T227 PolarHBondContact O-OG1 2.9Å; Q223-Y256 HydrophobicContact CG-CE1 4.37Å | ||
| 224 | T | 85.4 | Confident | 94.3 | Very high | 111 Ų | 111 | 78 Ų | 78 | 68% | 0.681 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -35.9 | -169.1 | -42.6 | 0 | 0 | 0 | 0 | 114.1 | ||
| 225 | Q | 85.5 | Confident | 94.2 | Very high | 188 Ų | 188 | 80 Ų | 80 | 88% | 0.879 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -31.7 | -178.3 | -67.1 | -174.2 | 5 | 0 | 0 | 113.2 | Q223 T227 | Q223-Q225 VanDerWaalsContact C-N 3.33Å; Q223-Q225 PolarHBondContact O-N 2.76Å; Q225-T227 VanDerWaalsContact C-N 3.32Å |
| 226 | D | 84.4 | Confident | 94 | Very high | 110 Ų | 110 | 81.6 Ų | 81.6 | 59% | 0.588 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | 2.5 | -178 | -57.4 | -45.7 | 0 | 0 | 0 | 112.4 | Q223 | Q223-D226 PolarHBondContact O-N 3.45Š|
| 227 | T | 92.6 | Very high | 93.7 | Very high | 23 Ų | 23 | 86.5 Ų | 86.5 | 14% | 0.141 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 121.3 | -179.4 | -64.6 | 0 | 0 | 0 | 0 | 110.9 | Q223 Q225 L229 A244 A245 | Q223-T227 WeakPolarHBondContact O-CB 3.29Å; Q223-T227 PolarHBondContact O-N 2.9Å; Q223-T227 PolarHBondContact O-OG1 2.9Å; Q225-T227 VanDerWaalsContact C-N 3.32Å; T227-L229 HydrophobicContact CG2-CB 4.32Å; T227-L229 PolarHBondContact O-N 2.75Å; T227-A244 HydrophobicContact CG2-CB 3.99Å; T227-A245 CarbonylContact C-O 3.5Å; T227-A245 VanDerWaalsContact CA-O 3.3Å; T227-A245 WeakPolarHBondContact CA-O 3.44Å |
| 228 | E | 95.7 | Very high | 93.5 | Very high | 114 Ų | 114 | 86.4 Ų | 86.4 | 53% | 0.533 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 105.2 | 163.1 | -173.5 | -174.9 | -170.7 | 0 | 0 | 108.9 | W243 A244 A245 | E228-W243 HydrophobicContact CB-CZ3 4.21Å; E228-W243 HydrophobicContact CG-CH2 3.86Å; E228-W243 HydrophobicContact CG-CZ3 3.81Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.32Å; E228-W243 WeakPolarHBondContact OE2-CH2 3.42Å; E228-A244 CarbonylContact O-C 3.53Å; E228-A244 WeakPolarHBondContact O-CA 3.34Å; E228-A245 HydrophobicContact CB-CB 4.37Å; E228-A245 PolarHBondContact N-O 3.1Å; E228-A245 PolarHBondContact O-N 3.21Å |
| 229 | L | 96.1 | Very high | 93.5 | Very high | 89 Ų | 89 | 83.3 Ų | 83.3 | 47% | 0.466 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 120.1 | 178.4 | -175.1 | 67.8 | 0 | 0 | 0 | 110.1 | L214 T227 A244 | L214-L229 HydrophobicContact CB-CD1 4.09Å; T227-L229 HydrophobicContact CG2-CB 4.32Å; T227-L229 PolarHBondContact O-N 2.75Å; L229-A244 HydrophobicContact CD1-CB 3.64Å |
| 230 | V | 96.1 | Very high | 93.7 | Very high | 34 Ų | 34 | 79.6 Ų | 79.6 | 21% | 0.206 | 46% | 0.456 | C | S | . | . | P | Polyproline II helix | trans | -85.6 | 152.5 | 174.8 | -64.5 | 0 | 0 | 0 | 0 | 112.2 | K242 W243 | V230-K242 HydrophobicContact CG2-CG 4.41Å; V230-K242 VanDerWaalsContact O-CE 3.27Å; V230-K242 WeakPolarHBondContact O-CE 3.35Å; V230-K242 WeakPolarHBondContact O-CG 3.36Å; V230-K242 PolarHBondContact O-NZ 3.05Å; V230-W243 HydrophobicContact CB-CZ2 4.39Å; V230-W243 HydrophobicContact CG1-CD2 3.99Å; V230-W243 HydrophobicContact CG1-CE3 4.31Å; V230-W243 HydrophobicContact CG1-CH2 3.59Å; V230-W243 HydrophobicContact CG1-CZ2 3.18Å; V230-W243 HydrophobicContact CG1-CZ3 4.12Å; V230-W243 HydrophobicContact CG2-CD2 3.75Å; V230-W243 HydrophobicContact CG2-CE3 4.47Å; V230-W243 HydrophobicContact CG2-CG 3.74Å; V230-W243 HydrophobicContact CG2-CZ2 4.38Å; V230-W243 WeakPolarHBondContact CG2-O 3.44Å; V230-W243 PolarHBondContact N-O 3.31Å |
| 231 | E | 96.4 | Very high | 94 | Very high | 173 Ų | 173 | 79.4 Ų | 79.4 | 81% | 0.808 | 44% | 0.443 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 150.4 | 167.5 | -67.4 | -174.1 | 166.9 | 0 | 0 | 111.3 | R233 | E231-R233 PolarHBondContact O-N 3.49Š|
| 232 | T | 97.6 | Very high | 94.1 | Very high | 45 Ų | 45 | 74.2 Ų | 74.2 | 28% | 0.276 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 129.9 | 174.6 | -56.6 | 0 | 0 | 0 | 0 | 108.6 | F207 A210 F240 K242 | F207-T232 HydrophobicContact CE2-CG2 4.08Å; F207-T232 HydrophobicContact CZ-CG2 3.84Å; A210-T232 HydrophobicContact CB-CG2 4.23Å; A210-T232 WeakPolarHBondContact O-CG2 3.34Å; T232-F240 HydrophobicContact CG2-CB 3.75Å; T232-F240 HydrophobicContact CG2-CD1 3.91Å; T232-F240 HydrophobicContact CG2-CG 4.09Å; T232-K242 PolarHBondContact OG1-NZ 3.15Å |
| 233 | R | 96.9 | Very high | 94.3 | Very high | 95 Ų | 95 | 70.8 Ų | 70.8 | 36% | 0.358 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 145.4 | -175.3 | 69 | -167.3 | -179.1 | -169.2 | 3.3 | 111.4 | E231 F240 Q241 | E231-R233 PolarHBondContact O-N 3.49Å; R233-F240 WeakPolarHBondContact O-CA 3.37Å; R233-Q241 HydrophobicContact CG-CG 3.58Å; R233-Q241 PolarHBondContact N-O 2.99Å; R233-Q241 WeakPolarHBondContact O-CG 3.44Å; R233-Q241 PolarHBondContact O-N 3.33Å |
| 234 | P | 96.8 | Very high | 94.5 | Very high | 93 Ų | 93 | 70.1 Ų | 70.1 | 60% | 0.604 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 145.5 | 177.2 | 28.5 | -34.5 | 0 | 0 | 0 | 111.1 | F240 | P234-F240 HydrophobicContact CB-CE1 4.34Å |
| 235 | A | 96.1 | Very high | 95 | Very high | 48 Ų | 48 | 65 Ų | 65 | 40% | 0.397 | 36% | 0.363 | S | S | . | . | trans | -89.2 | -16.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113 | D237 T239 Q241 | A235-D237 WeakPolarHBondContact CB-OD1 3.34Å; A235-T239 PolarHBondContact N-O 3.4Å; A235-Q241 HydrophobicContact CB-CG 4.5Å | ||
| 236 | G | 92.9 | Very high | 95.6 | Very high | 77 Ų | 77 | 56.2 Ų | 56.2 | 79% | 0.794 | 32% | 0.322 | S | S | * | . | S | Bend | trans | 97.4 | -9.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 237 | D | 92.3 | Very high | 96.1 | Very high | 106 Ų | 106 | 54.6 Ų | 54.6 | 57% | 0.567 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -104.8 | 13.9 | 176.9 | 62.2 | -2.1 | 0 | 0 | 0 | 112.9 | A235 T239 | A235-D237 WeakPolarHBondContact CB-OD1 3.34Å; D237-T239 WeakPolarHBondContact OD1-CB 3.17Å; D237-T239 PolarHBondContact OD1-N 3.48Å; D237-T239 PolarHBondContact OD1-OG1 3.18Å |
| 238 | G | 91.8 | Very high | 96.3 | Very high | 40 Ų | 40 | 53.5 Ų | 53.5 | 41% | 0.412 | 31% | 0.31 | S | S | . | . | S | Bend | trans | 83.8 | 6.1 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y208 | Y208-G238 WeakPolarHBondContact CD2-O 3.45Š|
| 239 | T | 96.6 | Very high | 96.2 | Very high | 13 Ų | 13 | 50.2 Ų | 50.2 | 8% | 0.08 | 30% | 0.298 | C | S | . | . | trans | -108 | 173.1 | 170.9 | 73.5 | 0 | 0 | 0 | 0 | 112.1 | S206 F207 A235 D237 | S206-T239 WeakPolarHBondContact CA-OG1 3.37Å; F207-T239 WeakPolarHBondContact O-CA 3.2Å; A235-T239 PolarHBondContact N-O 3.4Å; D237-T239 WeakPolarHBondContact OD1-CB 3.17Å; D237-T239 PolarHBondContact OD1-N 3.48Å; D237-T239 PolarHBondContact OD1-OG1 3.18Å | ||
| 240 | F | 98.1 | Very high | 95.9 | Very high | 23 Ų | 23 | 48.6 Ų | 48.6 | 10% | 0.101 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 162.3 | -177.9 | -63 | -84.8 | 0 | 0 | 0 | 112.3 | D29 S206 F207 Y208 A210 T232 R233 P234 | D29-F240 HydrophobicContact CB-CE2 3.82Å; D29-F240 HydrophobicContact CB-CZ 3.51Å; S206-F240 PolarHBondContact N-O 3.32Å; F207-F240 VanDerWaalsContact CD1-O 3.27Å; F207-F240 WeakPolarHBondContact CD1-O 3.48Å; F207-F240 HydrophobicContact CD2-CB 3.93Å; F207-F240 HydrophobicContact CE1-CB 4.22Å; F207-F240 WeakPolarHBondContact CE1-O 3.45Å; F207-F240 HydrophobicContact CE2-CB 3.48Å; F207-F240 VanDerWaalsContact CE2-CB 3.48Å; F207-F240 HydrophobicContact CE2-CG 4.45Å; F207-F240 HydrophobicContact CG-CB 4.45Å; F207-F240 HydrophobicContact CZ-CB 3.62Å; F207-F240 PolarHBondContact N-O 3.01Å; F207-F240 PolarHBondContact O-N 2.92Å; Y208-F240 HydrophobicContact CD2-CD2 4.33Å; Y208-F240 AromaticContact CD2-CE2 3.86Å; Y208-F240 HydrophobicContact CD2-CE2 3.86Å; Y208-F240 HydrophobicContact CE2-CE2 4.25Å; A210-F240 HydrophobicContact CB-CD1 3.7Å; A210-F240 HydrophobicContact CB-CD2 3.72Å; A210-F240 HydrophobicContact CB-CE1 3.68Å; A210-F240 HydrophobicContact CB-CE2 3.72Å; A210-F240 HydrophobicContact CB-CG 3.74Å; A210-F240 HydrophobicContact CB-CZ 3.73Å; T232-F240 HydrophobicContact CG2-CB 3.75Å; T232-F240 HydrophobicContact CG2-CD1 3.91Å; T232-F240 HydrophobicContact CG2-CG 4.09Å; R233-F240 WeakPolarHBondContact O-CA 3.37Å; P234-F240 HydrophobicContact CB-CE1 4.34Å |
| 241 | Q | 98.1 | Very high | 95.6 | Very high | 44 Ų | 44 | 50.1 Ų | 50.1 | 21% | 0.206 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 147.3 | 174.3 | 42.8 | 165.9 | -20.9 | 0 | 0 | 110 | A204 L205 R233 A235 | A204-Q241 CarbonylContact O-C 3.58Å; A204-Q241 VanDerWaalsContact O-CA 3.28Å; A204-Q241 WeakPolarHBondContact O-CA 3.33Å; L205-Q241 HydrophobicContact CD2-CB 3.57Å; R233-Q241 HydrophobicContact CG-CG 3.58Å; R233-Q241 PolarHBondContact N-O 2.99Å; R233-Q241 WeakPolarHBondContact O-CG 3.44Å; R233-Q241 PolarHBondContact O-N 3.33Å; A235-Q241 HydrophobicContact CB-CG 4.5Å |
| 242 | K | 98.4 | Very high | 95.5 | Very high | 21 Ų | 21 | 45 Ų | 45 | 9% | 0.091 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 154.4 | 177.2 | -162.4 | -176.4 | -173.1 | 71.5 | 0 | 108.9 | A204 F207 I212 L214 V230 T232 | A204-K242 PolarHBondContact N-O 2.99Å; A204-K242 PolarHBondContact O-N 3.35Å; A204-K242 VanDerWaalsContact O-O 3.08Å; F207-K242 HydrophobicContact CE1-CB 4.33Å; F207-K242 HydrophobicContact CZ-CB 4.14Å; I212-K242 HydrophobicContact CG2-CB 4.24Å; I212-K242 HydrophobicContact CG2-CD 3.55Å; L214-K242 HydrophobicContact CD1-CD 4.24Å; L214-K242 HydrophobicContact CD2-CB 4.35Å; L214-K242 HydrophobicContact CD2-CD 4.47Å; L214-K242 HydrophobicContact CD2-CG 4.36Å; V230-K242 HydrophobicContact CG2-CG 4.41Å; V230-K242 VanDerWaalsContact O-CE 3.27Å; V230-K242 WeakPolarHBondContact O-CE 3.35Å; V230-K242 WeakPolarHBondContact O-CG 3.36Å; V230-K242 PolarHBondContact O-NZ 3.05Å; T232-K242 PolarHBondContact OG1-NZ 3.15Å |
| 243 | W | 98 | Very high | 95.3 | Very high | 26 Ų | 26 | 43.7 Ų | 43.7 | 10% | 0.098 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 158.1 | 169.6 | 59 | -98.1 | 0 | 0 | 0 | 111.5 | R201 C202 W203 E228 V230 A245 | R201-W243 HydrophobicContact CG-CB 4.02Å; R201-W243 HydrophobicContact CG-CD2 4.13Å; R201-W243 HydrophobicContact CG-CE3 3.85Å; R201-W243 HydrophobicContact CG-CG 4.25Å; C202-W243 CarbonylContact O-C 3.58Å; C202-W243 WeakPolarHBondContact O-CA 3.43Å; C202-W243 VanDerWaalsContact O-CB 3.22Å; C202-W243 WeakPolarHBondContact O-CB 3.46Å; W203-W243 HydrophobicContact CD2-CB 3.96Å; W203-W243 HydrophobicContact CD2-CG 4.45Å; W203-W243 HydrophobicContact CE3-CB 3.84Å; W203-W243 AromaticContact CE3-CD1 3.83Å; W203-W243 HydrophobicContact CE3-CG 4.12Å; W203-W243 HydrophobicContact CG-CB 4.38Å; W203-W243 AromaticContact CH2-CD1 3.74Å; W203-W243 HydrophobicContact CH2-CG 4.3Å; W203-W243 HydrophobicContact CZ3-CB 4.28Å; W203-W243 AromaticContact CZ3-CD1 3.39Å; W203-W243 HydrophobicContact CZ3-CG 4.05Å; E228-W243 HydrophobicContact CB-CZ3 4.21Å; E228-W243 HydrophobicContact CG-CH2 3.86Å; E228-W243 HydrophobicContact CG-CZ3 3.81Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.32Å; E228-W243 WeakPolarHBondContact OE2-CH2 3.42Å; V230-W243 HydrophobicContact CB-CZ2 4.39Å; V230-W243 HydrophobicContact CG1-CD2 3.99Å; V230-W243 HydrophobicContact CG1-CE3 4.31Å; V230-W243 HydrophobicContact CG1-CH2 3.59Å; V230-W243 HydrophobicContact CG1-CZ2 3.18Å; V230-W243 HydrophobicContact CG1-CZ3 4.12Å; V230-W243 HydrophobicContact CG2-CD2 3.75Å; V230-W243 HydrophobicContact CG2-CE3 4.47Å; V230-W243 HydrophobicContact CG2-CG 3.74Å; V230-W243 HydrophobicContact CG2-CZ2 4.38Å; V230-W243 WeakPolarHBondContact CG2-O 3.44Å; V230-W243 PolarHBondContact N-O 3.31Å; W243-A245 HydrophobicContact CE3-CB 4Å; W243-A245 HydrophobicContact CZ3-CB 3.69Å |
| 244 | A | 97.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 132.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | R201 C202 L214 W216 T227 E228 L229 | R201-A244 WeakPolarHBondContact CA-O 3.34Å; C202-A244 PolarHBondContact N-O 3.07Å; C202-A244 PolarHBondContact O-N 2.77Å; L214-A244 HydrophobicContact CB-CB 4.07Å; L214-A244 HydrophobicContact CD2-CB 4.28Å; W216-A244 PolarHBondContact NE1-O 3.08Å; T227-A244 HydrophobicContact CG2-CB 3.99Å; E228-A244 CarbonylContact O-C 3.53Å; E228-A244 WeakPolarHBondContact O-CA 3.34Å; L229-A244 HydrophobicContact CD1-CB 3.64Å |
| 245 | A | 97.3 | Very high | 95 | Very high | 3 Ų | 3 | 44.5 Ų | 44.5 | 3% | 0.025 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 146.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112 | T199 L200 R201 T227 E228 W243 | T199-A245 HydrophobicContact CG2-CB 3.9Å; L200-A245 CarbonylContact O-C 3.57Å; L200-A245 WeakPolarHBondContact O-CA 3.35Å; R201-A245 HydrophobicContact CB-CB 3.94Å; R201-A245 HydrophobicContact CG-CB 4.09Å; T227-A245 CarbonylContact C-O 3.5Å; T227-A245 VanDerWaalsContact CA-O 3.3Å; T227-A245 WeakPolarHBondContact CA-O 3.44Å; E228-A245 HydrophobicContact CB-CB 4.37Å; E228-A245 PolarHBondContact N-O 3.1Å; E228-A245 PolarHBondContact O-N 3.21Å; W243-A245 HydrophobicContact CE3-CB 4Å; W243-A245 HydrophobicContact CZ3-CB 3.69Å |
| 246 | V | 97 | Very high | 95 | Very high | 3 Ų | 3 | 42.5 Ų | 42.5 | 2% | 0.018 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 142.4 | 176.3 | 65 | 0 | 0 | 0 | 0 | 109.1 | T199 L200 W216 V248 Y256 | T199-V246 WeakPolarHBondContact CA-O 3.41Å; L200-V246 HydrophobicContact CB-CG1 4.32Å; L200-V246 PolarHBondContact N-O 2.91Å; L200-V246 PolarHBondContact O-N 3.41Å; W216-V246 HydrophobicContact CD2-CB 4.32Å; W216-V246 HydrophobicContact CD2-CG1 3.57Å; W216-V246 HydrophobicContact CE3-CG1 3.83Å; W216-V246 HydrophobicContact CG-CB 4.17Å; W216-V246 HydrophobicContact CG-CG1 3.94Å; W216-V246 HydrophobicContact CH2-CG1 4.28Å; W216-V246 HydrophobicContact CZ2-CG1 4.07Å; W216-V246 HydrophobicContact CZ3-CG1 4.19Å; V246-V248 HydrophobicContact CG1-CG1 3.77Å; V246-Y256 HydrophobicContact CG1-CD1 3.97Å; V246-Y256 HydrophobicContact CG1-CE1 4.41Å; V246-Y256 HydrophobicContact CG2-CD1 4.29Å; V246-Y256 HydrophobicContact CG2-CE1 3.97Å |
| 247 | V | 96.3 | Very high | 95.2 | Very high | 76 Ų | 76 | 39.3 Ų | 39.3 | 46% | 0.461 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 128 | 171.2 | -178.4 | 0 | 0 | 0 | 0 | 108.2 | E197 A198 | E197-V247 HydrophobicContact CB-CG1 4.16Å; E197-V247 HydrophobicContact CG-CG1 4.36Å; A198-V247 WeakPolarHBondContact O-CA 2.99Å |
| 248 | V | 95.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 142.1 | -176.9 | -52.7 | 0 | 0 | 0 | 0 | 110.4 | E197 A198 L200 V246 E253 Y256 | E197-V248 WeakPolarHBondContact CA-O 3.34Å; A198-V248 HydrophobicContact CB-CG2 4.34Å; A198-V248 PolarHBondContact N-O 2.99Å; A198-V248 WeakPolarHBondContact O-CG2 3.35Å; A198-V248 PolarHBondContact O-N 3.41Å; L200-V248 HydrophobicContact CD1-CG1 3.98Å; L200-V248 HydrophobicContact CD1-CG2 4.04Å; L200-V248 HydrophobicContact CG-CG1 4.18Å; L200-V248 HydrophobicContact CG-CG2 3.85Å; V246-V248 HydrophobicContact CG1-CG1 3.77Å; V248-E253 HydrophobicContact CG2-CG 3.93Å; V248-Y256 HydrophobicContact CB-CD2 4.03Å; V248-Y256 HydrophobicContact CB-CE2 3.77Å; V248-Y256 HydrophobicContact CG1-CD1 3.7Å; V248-Y256 HydrophobicContact CG1-CD2 3.58Å; V248-Y256 HydrophobicContact CG1-CE1 3.69Å; V248-Y256 HydrophobicContact CG1-CE2 3.6Å; V248-Y256 HydrophobicContact CG1-CG 3.63Å |
| 249 | P | 94.9 | Very high | 95.8 | Very high | 45 Ų | 45 | 33.9 Ų | 33.9 | 29% | 0.292 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 140.3 | 170 | -20.2 | 32.4 | 0 | 0 | 0 | 111 | H196 G251 Q252 | H196-P249 CarbonylContact O-C 3.58Å; H196-P249 WeakPolarHBondContact O-CA 3.47Å; P249-G251 PolarHBondContact O-N 3.21Å; P249-Q252 HydrophobicContact CB-CB 4.39Å; P249-Q252 HydrophobicContact CB-CG 4.15Å; P249-Q252 WeakPolarHBondContact O-CB 3.43Å; P249-Q252 PolarHBondContact O-N 2.88Å |
| 250 | S | 89.9 | Confident | 95.9 | Very high | 56 Ų | 56 | 33.3 Ų | 33.3 | 39% | 0.392 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | 132.1 | 177.3 | -61.5 | 0 | 0 | 0 | 0 | 111.4 | H196 E197 Q252 E253 | H196-S250 PolarHBondContact O-N 2.98Å; H196-S250 PolarHBondContact O-OG 3.41Å; E197-S250 PolarHBondContact N-OG 3.05Å; S250-Q252 VanDerWaalsContact C-N 3.3Å; S250-E253 WeakPolarHBondContact CA-OE1 3.31Å |
| 251 | G | 89.2 | Confident | 95.9 | Very high | 66 Ų | 66 | 37 Ų | 37 | 68% | 0.68 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 84.4 | -3.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | P249 E253 | P249-G251 PolarHBondContact O-N 3.21Å; G251-E253 WeakPolarHBondContact CA-OE2 3.27Å; G251-E253 VanDerWaalsContact N-CD 3.33Å; G251-E253 PolarHBondContact N-OE1 3.25Å; G251-E253 PolarHBondContact N-OE2 3.5Å |
| 252 | Q | 93.6 | Very high | 95.9 | Very high | 64 Ų | 64 | 35.6 Ų | 35.6 | 30% | 0.299 | 19% | 0.194 | S | C | . | . | trans | -104.1 | 5.2 | 175.5 | -59.8 | -167.3 | 38.4 | 0 | 0 | 113.3 | P249 S250 Q254 R255 Y256 | P249-Q252 HydrophobicContact CB-CB 4.39Å; P249-Q252 HydrophobicContact CB-CG 4.15Å; P249-Q252 WeakPolarHBondContact O-CB 3.43Å; P249-Q252 PolarHBondContact O-N 2.88Å; S250-Q252 VanDerWaalsContact C-N 3.3Å; Q252-Q254 PolarHBondContact O-N 3.13Å; Q252-Q254 VanDerWaalsContact O-N 3.09Å; Q252-R255 WeakPolarHBondContact O-CB 3.38Å; Q252-R255 PolarHBondContact O-N 3.29Å; Q252-Y256 HydrophobicContact CB-CE2 4.43Å; Q252-Y256 WeakPolarHBondContact O-CD2 3.47Å | ||
| 253 | E | 93.5 | Very high | 95.7 | Very high | 19 Ų | 19 | 41.9 Ų | 41.9 | 9% | 0.089 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -54.7 | -35.9 | -174.4 | -59.2 | 79.1 | -175.7 | 0 | 0 | 112.1 | L200 V248 S250 G251 R255 Y256 W273 | L200-E253 HydrophobicContact CD1-CB 4.05Å; L200-E253 HydrophobicContact CD1-CG 4.41Å; L200-E253 HydrophobicContact CD2-CG 4.32Å; V248-E253 HydrophobicContact CG2-CG 3.93Å; S250-E253 WeakPolarHBondContact CA-OE1 3.31Å; G251-E253 WeakPolarHBondContact CA-OE2 3.27Å; G251-E253 VanDerWaalsContact N-CD 3.33Å; G251-E253 PolarHBondContact N-OE1 3.25Å; G251-E253 PolarHBondContact N-OE2 3.5Å; E253-R255 VanDerWaalsContact C-N 3.25Å; E253-R255 PolarHBondContact O-N 2.89Å; E253-Y256 PolarHBondContact O-N 2.84Å; E253-Y256 VanDerWaalsContact O-N 3.16Å; E253-W273 HydrophobicContact CB-CD2 4.25Å; E253-W273 HydrophobicContact CB-CE3 3.46Å; E253-W273 VanDerWaalsContact CB-CE3 3.46Å; E253-W273 HydrophobicContact CB-CZ3 3.94Å; E253-W273 HydrophobicContact CG-CE3 3.84Å; E253-W273 HydrophobicContact CG-CZ3 3.96Å |
| 254 | Q | 92.9 | Very high | 95.6 | Very high | 95 Ų | 95 | 41.7 Ų | 41.7 | 44% | 0.444 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -68.4 | -19.5 | -179.6 | -64.6 | -57.2 | -42.2 | 0 | 0 | 114.5 | Q252 W273 | Q252-Q254 PolarHBondContact O-N 3.13Å; Q252-Q254 VanDerWaalsContact O-N 3.09Å; Q254-W273 PolarHBondContact NE2-O 3.13Å |
| 255 | R | 95.4 | Very high | 95.5 | Very high | 109 Ų | 109 | 42.9 Ų | 42.9 | 41% | 0.411 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -76.8 | -17 | 176 | -63.1 | 175.5 | 67.5 | -175.8 | 7.6 | 112 | R218 D219 Q252 E253 | R218-R255 WeakPolarHBondContact CA-O 3.34Å; R218-R255 HydrophobicContact CG-CB 4.32Å; D219-R255 PolarHBondContact N-O 2.84Å; D219-R255 WeakPolarHBondContact OD1-CB 3.33Å; D219-R255 IonicContact OD1-NE 3.48Å; D219-R255 PolarHBondContact OD1-NE 2.93Å; D219-R255 IonicContact OD2-CZ 3.07Å; D219-R255 IonicContact OD2-NE 2.76Å; D219-R255 PolarHBondContact OD2-NE 2.84Å; D219-R255 IonicContact OD2-NH2 2.62Å; D219-R255 PolarHBondContact OD2-NH2 2.67Å; Q252-R255 WeakPolarHBondContact O-CB 3.38Å; Q252-R255 PolarHBondContact O-N 3.29Å; E253-R255 VanDerWaalsContact C-N 3.25Å; E253-R255 PolarHBondContact O-N 2.89Å |
| 256 | Y | 96.3 | Very high | 95.4 | Very high | 7 Ų | 7 | 49.1 Ų | 49.1 | 3% | 0.027 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 130.5 | -177.2 | -69.1 | -102.5 | 0 | 0 | 0 | 111 | Q217 R218 Q223 V246 V248 Q252 E253 | Q217-Y256 CarbonylContact O-C 3.51Å; Q217-Y256 VanDerWaalsContact O-CA 3.27Å; Q217-Y256 WeakPolarHBondContact O-CA 3.46Å; R218-Y256 HydrophobicContact CB-CD1 4.13Å; R218-Y256 HydrophobicContact CB-CE1 3.99Å; R218-Y256 WeakPolarHBondContact CD-OH 3.44Å; R218-Y256 HydrophobicContact CG-CD2 4.44Å; R218-Y256 HydrophobicContact CG-CE1 4.22Å; R218-Y256 HydrophobicContact CG-CE2 4.1Å; Q223-Y256 HydrophobicContact CG-CE1 4.37Å; V246-Y256 HydrophobicContact CG1-CD1 3.97Å; V246-Y256 HydrophobicContact CG1-CE1 4.41Å; V246-Y256 HydrophobicContact CG2-CD1 4.29Å; V246-Y256 HydrophobicContact CG2-CE1 3.97Å; V248-Y256 HydrophobicContact CB-CD2 4.03Å; V248-Y256 HydrophobicContact CB-CE2 3.77Å; V248-Y256 HydrophobicContact CG1-CD1 3.7Å; V248-Y256 HydrophobicContact CG1-CD2 3.58Å; V248-Y256 HydrophobicContact CG1-CE1 3.69Å; V248-Y256 HydrophobicContact CG1-CE2 3.6Å; V248-Y256 HydrophobicContact CG1-CG 3.63Å; Q252-Y256 HydrophobicContact CB-CE2 4.43Å; Q252-Y256 WeakPolarHBondContact O-CD2 3.47Å; E253-Y256 PolarHBondContact O-N 2.84Å; E253-Y256 VanDerWaalsContact O-N 3.16Å |
| 257 | T | 97.4 | Very high | 95.4 | Very high | 10 Ų | 10 | 56.8 Ų | 56.8 | 6% | 0.061 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 135 | 175.9 | 45.9 | 0 | 0 | 0 | 0 | 110.5 | W216 Q217 H259 T270 L271 R272 | W216-T257 WeakPolarHBondContact CA-O 3.45Å; W216-T257 VanDerWaalsContact CE3-C 3.47Å; Q217-T257 PolarHBondContact N-O 3.24Å; Q217-T257 PolarHBondContact O-N 2.96Å; T257-H259 PolarHBondContact OG1-NE2 2.72Å; T257-T270 HydrophobicContact CG2-CG2 3.84Å; T257-L271 WeakPolarHBondContact CA-O 3.44Å; T257-R272 HydrophobicContact CG2-CG 3.52Å; T257-R272 VanDerWaalsContact CG2-NE 3.33Å |
| 258 | C | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 129.8 | 168.8 | 174.8 | 0 | 0 | 0 | 0 | 109.4 | M188 C202 T215 W216 T270 L271 | M188-C258 HydrophobicContact CE-CB 3.41Å; M188-C258 VanDerWaalsContact CE-CB 3.41Å; C202-C258 HydrophobicContact CB-CB 3.5Å; C202-C258 WeakPolarHBondContact CB-SG 3.45Å; C202-C258 WeakPolarHBondContact SG-CB 3.24Å; C202-C258 CovalentContact SG-SG 2.03Å; C202-C258 PolarHBondContact SG-SG 3.44Å; T215-C258 CarbonylContact O-C 3.52Å; T215-C258 WeakPolarHBondContact O-CA 3.46Å; W216-C258 HydrophobicContact CD2-CB 4.21Å; W216-C258 HydrophobicContact CE3-CB 4.19Å; W216-C258 HydrophobicContact CH2-CB 4.15Å; W216-C258 HydrophobicContact CZ2-CB 4.14Å; W216-C258 HydrophobicContact CZ3-CB 4.15Å; C258-T270 CarbonylContact O-C 3.52Å; C258-T270 WeakPolarHBondContact O-CA 3.27Å; C258-L271 HydrophobicContact CB-CB 4.27Å; C258-L271 PolarHBondContact N-O 2.7Å; C258-L271 PolarHBondContact O-N 2.91Å |
| 259 | H | 97.7 | Very high | 95.5 | Very high | 32 Ų | 32 | 60 Ų | 60 | 15% | 0.148 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 128.5 | 177.4 | -62.8 | -105.8 | 0 | 0 | 0 | 109.5 | L214 T215 Q217 T257 L269 T270 | L214-H259 WeakPolarHBondContact CA-O 3.34Å; T215-H259 PolarHBondContact N-O 3.2Å; T215-H259 PolarHBondContact O-N 3.43Å; Q217-H259 PolarHBondContact OE1-NE2 3.42Å; T257-H259 PolarHBondContact OG1-NE2 2.72Å; H259-L269 CarbonylContact C-O 3.59Å; H259-L269 WeakPolarHBondContact CA-O 3.29Å; H259-T270 PolarHBondContact ND1-OG1 3.43Å |
| 260 | V | 98.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 119.5 | -178.6 | -174.6 | 0 | 0 | 0 | 0 | 108.8 | P184 T186 I212 T213 L214 L265 P268 L269 L271 | P184-V260 HydrophobicContact CG-CG1 3.98Å; T186-V260 HydrophobicContact CG2-CG1 4.33Å; T186-V260 HydrophobicContact CG2-CG2 4.15Å; I212-V260 HydrophobicContact CD1-CG1 3.95Å; I212-V260 HydrophobicContact CG1-CG1 4.29Å; T213-V260 WeakPolarHBondContact O-CA 3.4Å; L214-V260 HydrophobicContact CD1-CG1 4.05Å; L214-V260 HydrophobicContact CG-CG2 4.32Å; V260-L265 HydrophobicContact CG1-CD1 4.15Å; V260-P268 WeakPolarHBondContact O-CA 3.04Å; V260-L269 HydrophobicContact CB-CB 4.35Å; V260-L269 PolarHBondContact N-O 3.1Å; V260-L269 PolarHBondContact O-N 2.04Å; V260-L271 HydrophobicContact CG2-CD1 4.02Å |
| 261 | Q | 98.3 | Very high | 95.9 | Very high | 100 Ų | 100 | 60.7 Ų | 60.7 | 47% | 0.467 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 127.4 | 173.7 | -51.1 | -177.7 | 22.7 | 0 | 0 | 109.2 | I212 T213 P268 | I212-Q261 VanDerWaalsContact CG1-O 3.31Å; I212-Q261 WeakPolarHBondContact CG1-O 3.1Å; T213-Q261 PolarHBondContact N-O 3.09Å; T213-Q261 PolarHBondContact O-N 2.83Å; Q261-P268 HydrophobicContact CG-CB 4.07Å; Q261-P268 HydrophobicContact CG-CG 4.13Å |
| 262 | H | 97.9 | Very high | 96.1 | Very high | 16 Ų | 16 | 65 Ų | 65 | 7% | 0.074 | 32% | 0.324 | C | S | . | . | trans | -154.1 | 146.5 | -179.4 | -173.3 | -99.6 | 0 | 0 | 0 | 108.6 | D182 P184 F207 Y208 P209 E211 I212 G264 L265 | D182-H262 PolarHBondContact O-CE1 3.04Å; D182-H262 VanDerWaalsContact O-CE1 3.29Å; P184-H262 HydrophobicContact CG-CB 4.13Å; F207-H262 AromaticContact CD2-CD2 3.85Å; F207-H262 AromaticContact CD2-NE2 3.64Å; Y208-H262 PolarHBondContact O-CE1 3.38Å; P209-H262 PolarHBondContact O-NE2 3.35Å; E211-H262 PolarHBondContact O-CD2 2.99Å; I212-H262 HydrophobicContact CD1-CB 4.28Å; I212-H262 HydrophobicContact CG1-CB 4.05Å; H262-G264 WeakPolarHBondContact ND1-CA 3.41Å; H262-G264 PolarHBondContact ND1-N 2.81Å; H262-G264 PolarHBondContact O-N 2.86Å; H262-L265 HydrophobicContact CB-CD1 3.98Å; H262-L265 HydrophobicContact CB-CG 4.16Å; H262-L265 WeakPolarHBondContact O-CB 3.03Å; H262-L265 PolarHBondContact O-N 3Å | ||
| 263 | E | 95.2 | Very high | 96 | Very high | 152 Ų | 152 | 64 Ų | 64 | 71% | 0.71 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -29.2 | -179.7 | -173.4 | 176.4 | 153.6 | 0 | 0 | 112.7 | T181 L265 | T181-E263 HydrophobicContact CG2-CB 4.06Å; T181-E263 HydrophobicContact CG2-CG 4.18Å; E263-L265 PolarHBondContact O-N 3.33Å |
| 264 | G | 94.9 | Very high | 95.6 | Very high | 23 Ų | 23 | 70.8 Ų | 70.8 | 24% | 0.237 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -8.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | H262 | H262-G264 WeakPolarHBondContact ND1-CA 3.41Å; H262-G264 PolarHBondContact ND1-N 2.81Å; H262-G264 PolarHBondContact O-N 2.86Å |
| 265 | L | 97.2 | Very high | 94.9 | Very high | 25 Ų | 25 | 70 Ų | 70 | 13% | 0.131 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -98.9 | 126.1 | 177.3 | -64.2 | 170.8 | 0 | 0 | 0 | 110 | A183 P184 V260 H262 E263 K267 L269 | A183-L265 HydrophobicContact CB-CD2 4.01Å; P184-L265 HydrophobicContact CG-CD1 3.85Å; P184-L265 HydrophobicContact CG-CD2 4.4Å; P184-L265 HydrophobicContact CG-CG 4.18Å; V260-L265 HydrophobicContact CG1-CD1 4.15Å; H262-L265 HydrophobicContact CB-CD1 3.98Å; H262-L265 HydrophobicContact CB-CG 4.16Å; H262-L265 WeakPolarHBondContact O-CB 3.03Å; H262-L265 PolarHBondContact O-N 3Å; E263-L265 PolarHBondContact O-N 3.33Å; L265-K267 WeakPolarHBondContact CB-O 3.33Å; L265-K267 PolarHBondContact O-N 2.89Å; L265-L269 HydrophobicContact CD1-CB 4.42Å; L265-L269 HydrophobicContact CD1-CD1 3.85Å; L265-L269 HydrophobicContact CD1-CG 3.82Å; L265-L269 HydrophobicContact CD2-CD1 3.56Å; L265-L269 HydrophobicContact CD2-CG 3.87Å; L265-L269 HydrophobicContact CG-CD1 4.37Å; L265-L269 HydrophobicContact CG-CG 4.42Å |
| 266 | P | 95.6 | Very high | 93.4 | Very high | 134 Ų | 134 | 69.8 Ų | 69.8 | 87% | 0.87 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -65.1 | -24.2 | 177.7 | 27 | -34.8 | 0 | 0 | 0 | 112.5 | ||
| 267 | K | 96.3 | Very high | 91.1 | Very high | 164 Ų | 164 | 75 Ų | 75 | 71% | 0.713 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -146.5 | 151.3 | 173.6 | -64 | -176.5 | -177.9 | 177.3 | 0 | 109 | L265 L269 | L265-K267 WeakPolarHBondContact CB-O 3.33Å; L265-K267 PolarHBondContact O-N 2.89Å; K267-L269 PolarHBondContact O-N 2.98Å |
| 268 | P | 96.8 | Very high | 88.6 | Confident | 80 Ų | 80 | 82.3 Ų | 82.3 | 52% | 0.519 | 44% | 0.438 | S | S | . | . | trans | -50.6 | 136.9 | 171.3 | -28.1 | 36.4 | 0 | 0 | 0 | 112 | V260 Q261 | V260-P268 WeakPolarHBondContact O-CA 3.04Å; Q261-P268 HydrophobicContact CG-CB 4.07Å; Q261-P268 HydrophobicContact CG-CG 4.13Å | ||
| 269 | L | 97.1 | Very high | 86.1 | Confident | 62 Ų | 62 | 87.4 Ų | 87.4 | 33% | 0.325 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 139.3 | 173.6 | -67.9 | 176.9 | 0 | 0 | 0 | 109.8 | T186 H259 V260 L265 K267 | T186-L269 HydrophobicContact CG2-CD1 4.44Å; H259-L269 CarbonylContact C-O 3.59Å; H259-L269 WeakPolarHBondContact CA-O 3.29Å; V260-L269 HydrophobicContact CB-CB 4.35Å; V260-L269 PolarHBondContact N-O 3.1Å; V260-L269 PolarHBondContact O-N 2.04Å; L265-L269 HydrophobicContact CD1-CB 4.42Å; L265-L269 HydrophobicContact CD1-CD1 3.85Å; L265-L269 HydrophobicContact CD1-CG 3.82Å; L265-L269 HydrophobicContact CD2-CD1 3.56Å; L265-L269 HydrophobicContact CD2-CG 3.87Å; L265-L269 HydrophobicContact CG-CD1 4.37Å; L265-L269 HydrophobicContact CG-CG 4.42Å; K267-L269 PolarHBondContact O-N 2.98Å |
| 270 | T | 97.1 | Very high | 83.8 | Confident | 81 Ų | 81 | 92.3 Ų | 92.3 | 50% | 0.497 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 117.3 | 171.1 | -56.2 | 0 | 0 | 0 | 0 | 108.3 | T257 C258 H259 | T257-T270 HydrophobicContact CG2-CG2 3.84Å; C258-T270 CarbonylContact O-C 3.52Å; C258-T270 WeakPolarHBondContact O-CA 3.27Å; H259-T270 PolarHBondContact ND1-OG1 3.43Å |
| 271 | L | 95.8 | Very high | 81.7 | Confident | 36 Ų | 36 | 97.3 Ų | 97.3 | 19% | 0.188 | 53% | 0.53 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 137.5 | -178.2 | -63.5 | 158.5 | 0 | 0 | 0 | 109.3 | T186 M188 T257 C258 V260 | T186-L271 HydrophobicContact CG2-CD1 4.07Å; M188-L271 HydrophobicContact CE-CB 3.76Å; M188-L271 VanDerWaalsContact CE-O 3.27Å; M188-L271 WeakPolarHBondContact CE-O 3.44Å; M188-L271 HydrophobicContact SD-CB 4.44Å; T257-L271 WeakPolarHBondContact CA-O 3.44Å; C258-L271 HydrophobicContact CB-CB 4.27Å; C258-L271 PolarHBondContact N-O 2.7Å; C258-L271 PolarHBondContact O-N 2.91Å; V260-L271 HydrophobicContact CG2-CD1 4.02Å |
| 272 | R | 93.9 | Very high | 79.6 | Confident | 155 Ų | 155 | 96.8 Ų | 96.8 | 59% | 0.585 | 54% | 0.535 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 151.9 | 168.2 | -73.2 | -176.7 | 178.5 | 162.2 | -0.7 | 108.8 | T257 E274 | T257-R272 HydrophobicContact CG2-CG 3.52Å; T257-R272 VanDerWaalsContact CG2-NE 3.33Å; R272-E274 PolarHBondContact O-N 3Å |
| 273 | W | 91.9 | Very high | 77.7 | Confident | 45 Ų | 45 | 101.5 Ų | 101.5 | 17% | 0.17 | 56% | 0.559 | C | S | . | * | trans | -72.5 | 124.6 | 175.3 | 175.1 | 70.8 | 0 | 0 | 0 | 109 | M188 H190 L200 E253 Q254 P275 | M188-W273 WeakPolarHBondContact SD-CA 3.19Å; M188-W273 HydrophobicContact SD-CB 3.84Å; M188-W273 PolarHBondContact SD-N 3.26Å; H190-W273 HydrophobicContact CB-CZ2 4.11Å; H190-W273 AromaticContact CD2-CZ2 3.96Å; H190-W273 AromaticContact CG-CE2 3.96Å; H190-W273 AromaticContact CG-CZ2 3.92Å; H190-W273 AromaticContact CG-NE1 4Å; L200-W273 HydrophobicContact CD1-CB 4.21Å; L200-W273 HydrophobicContact CD2-CB 3.93Å; L200-W273 HydrophobicContact CD2-CD2 4.29Å; L200-W273 HydrophobicContact CD2-CG 3.77Å; E253-W273 HydrophobicContact CB-CD2 4.25Å; E253-W273 HydrophobicContact CB-CE3 3.46Å; E253-W273 VanDerWaalsContact CB-CE3 3.46Å; E253-W273 HydrophobicContact CB-CZ3 3.94Å; E253-W273 HydrophobicContact CG-CE3 3.84Å; E253-W273 HydrophobicContact CG-CZ3 3.96Å; Q254-W273 PolarHBondContact NE2-O 3.13Å; W273-P275 HydrophobicContact CE3-CG 4.32Å; W273-P275 HydrophobicContact CH2-CB 3.94Å; W273-P275 HydrophobicContact CH2-CG 3.72Å; W273-P275 HydrophobicContact CZ2-CB 4.15Å; W273-P275 HydrophobicContact CZ2-CG 4.28Å; W273-P275 HydrophobicContact CZ3-CB 4.45Å; W273-P275 HydrophobicContact CZ3-CG 3.74Å | ||
| 274 | E | 84.6 | Confident | 75.9 | Confident | 160 Ų | 160 | 100 Ų | 100 | 75% | 0.748 | 56% | 0.56 | S | S | * | * | trans | -108.5 | 126.1 | 170.5 | -73.4 | -177.4 | 176.7 | 0 | 0 | 108.8 | R272 S276 | R272-E274 PolarHBondContact O-N 3Å; E274-S276 PolarHBondContact O-N 2.97Å | ||
| 275 | P | 78.1 | Confident | 74.2 | Confident | 79 Ų | 79 | 101 Ų | 101 | 51% | 0.513 | 57% | 0.57 | S | S | . | * | trans | -57.7 | 127.3 | 171.8 | -15.6 | 25.1 | 0 | 0 | 0 | 108.9 | W273 S277 | W273-P275 HydrophobicContact CE3-CG 4.32Å; W273-P275 HydrophobicContact CH2-CB 3.94Å; W273-P275 HydrophobicContact CH2-CG 3.72Å; W273-P275 HydrophobicContact CZ2-CB 4.15Å; W273-P275 HydrophobicContact CZ2-CG 4.28Å; W273-P275 HydrophobicContact CZ3-CB 4.45Å; W273-P275 HydrophobicContact CZ3-CG 3.74Å; P275-S277 PolarHBondContact O-N 2.7Å | ||
| 276 | S | 62.8 | Low | 72.7 | Confident | 105 Ų | 105 | 104.3 Ų | 104.3 | 73% | 0.734 | 59% | 0.587 | S | S | * | * | trans | -58.8 | 111.4 | 179.1 | 63.1 | 0 | 0 | 0 | 0 | 109.7 | E274 Q278 | E274-S276 PolarHBondContact O-N 2.97Å; S276-Q278 PolarHBondContact O-N 3.4Å | ||
| 277 | S | 47.9 | Very low | 71.3 | Confident | 116 Ų | 116 | 102.5 Ų | 102.5 | 81% | 0.811 | 57% | 0.569 | S | S | * | * | trans | -77.7 | 60.3 | 169.7 | 52.2 | 0 | 0 | 0 | 0 | 109.5 | P275 P279 | P275-S277 PolarHBondContact O-N 2.7Å; S277-P279 WeakPolarHBondContact O-CD 3.37Å | ||
| 278 | Q | 46 | Very low | 69.9 | Low | 164 Ų | 164 | 97 Ų | 97 | 77% | 0.766 | 56% | 0.555 | S | S | * | * | trans | -70.3 | 112.5 | 157.9 | -81.2 | -166.7 | -22.4 | 0 | 0 | 106 | S276 T280 | S276-Q278 PolarHBondContact O-N 3.4Å; Q278-T280 PolarHBondContact O-N 2.98Å | ||
| 279 | P | 44 | Very low | 68.7 | Low | 106 Ų | 106 | 94.8 Ų | 94.8 | 69% | 0.688 | 55% | 0.546 | S | S | * | . | trans | -62.2 | 119.4 | 167.7 | 22.8 | -20.7 | 0 | 0 | 0 | 105.2 | S277 I281 | S277-P279 WeakPolarHBondContact O-CD 3.37Å; P279-I281 PolarHBondContact O-N 3.44Å | ||
| 280 | T | 50.9 | Low | 67.8 | Low | 135 Ų | 135 | 97.6 Ų | 97.6 | 83% | 0.828 | 56% | 0.561 | S | S | * | * | trans | -60.6 | 88.2 | 163.3 | -35 | 0 | 0 | 0 | 0 | 105.2 | Q278 P282 | Q278-T280 PolarHBondContact O-N 2.98Å; T280-P282 VanDerWaalsContact O-CD 3.24Å; T280-P282 WeakPolarHBondContact O-CD 3.49Å | ||
| 281 | I | 54 | Low | 66.8 | Low | 106 Ų | 106 | 98.3 Ų | 98.3 | 54% | 0.544 | 57% | 0.565 | S | S | . | * | trans | -53.4 | 118.5 | 169.6 | -63.6 | 176 | 0 | 0 | 0 | 103.5 | P279 I283 I286 | P279-I281 PolarHBondContact O-N 3.44Å; I281-I283 PolarHBondContact O-N 3.42Å; I281-I286 HydrophobicContact CG2-CD1 3.85Å | ||
| 282 | P | 53.6 | Low | 65.7 | Low | 89 Ų | 89 | 102.3 Ų | 102.3 | 58% | 0.578 | 59% | 0.586 | S | S | * | * | trans | -73.1 | 82.7 | -177.5 | 29.1 | -32 | 0 | 0 | 0 | 106.9 | T280 V284 G285 I286 | T280-P282 VanDerWaalsContact O-CD 3.24Å; T280-P282 WeakPolarHBondContact O-CD 3.49Å; P282-V284 PolarHBondContact O-N 2.94Å; P282-V284 VanDerWaalsContact O-N 3.09Å; P282-G285 PolarHBondContact O-N 3.18Å; P282-I286 PolarHBondContact O-N 3.44Å | ||
| 283 | I | 58.8 | Low | 64.7 | Low | 115 Ų | 115 | 102 Ų | 102 | 59% | 0.59 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -53.5 | -32.1 | 177.6 | -66.9 | 168.7 | 0 | 0 | 0 | 109.1 | I281 G285 I286 I287 | I281-I283 PolarHBondContact O-N 3.42Å; I283-G285 PolarHBondContact O-N 2.88Å; I283-I286 PolarHBondContact O-N 3Å; I283-I287 HydrophobicContact CG2-CD1 3.71Å; I283-I287 HydrophobicContact CG2-CG1 4.33Å; I283-I287 VanDerWaalsContact O-CG1 3.26Å; I283-I287 WeakPolarHBondContact O-CG1 3.38Å; I283-I287 PolarHBondContact O-N 2.82Å |
| 284 | V | 56.2 | Low | 63.7 | Low | 120 Ų | 120 | 101.6 Ų | 101.6 | 73% | 0.727 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -61.9 | -40.4 | 174.2 | -175.7 | 0 | 0 | 0 | 0 | 112.8 | P282 A288 | P282-V284 PolarHBondContact O-N 2.94Å; P282-V284 VanDerWaalsContact O-N 3.09Å; V284-A288 WeakPolarHBondContact O-CB 3.31Å; V284-A288 PolarHBondContact O-N 3.05Å |
| 285 | G | 58.9 | Low | 63.3 | Low | 43 Ų | 43 | 96.7 Ų | 96.7 | 44% | 0.443 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -69.4 | -36.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | P282 I283 G289 | P282-G285 PolarHBondContact O-N 3.18Å; I283-G285 PolarHBondContact O-N 2.88Å; G285-G289 PolarHBondContact O-N 2.96Å |
| 286 | I | 65.7 | Low | 63.3 | Low | 95 Ų | 95 | 97.8 Ų | 97.8 | 49% | 0.487 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -70.3 | -42.9 | 176.4 | -61.1 | 174.4 | 0 | 0 | 0 | 110.4 | I281 P282 I283 G289 L290 | I281-I286 HydrophobicContact CG2-CD1 3.85Å; P282-I286 PolarHBondContact O-N 3.44Å; I283-I286 PolarHBondContact O-N 3Å; I286-G289 PolarHBondContact O-N 3.43Å; I286-L290 HydrophobicContact CG2-CD1 3.95Å; I286-L290 HydrophobicContact CG2-CG 4.49Å; I286-L290 WeakPolarHBondContact O-CB 3.49Å; I286-L290 WeakPolarHBondContact O-CG 3.23Å; I286-L290 PolarHBondContact O-N 3.47Å |
| 287 | I | 66.7 | Low | 63.9 | Low | 96 Ų | 96 | 97.6 Ų | 97.6 | 49% | 0.492 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -64.3 | -46.4 | 176.9 | -67.4 | 169.7 | 0 | 0 | 0 | 110.8 | I283 G289 L290 V291 | I283-I287 HydrophobicContact CG2-CD1 3.71Å; I283-I287 HydrophobicContact CG2-CG1 4.33Å; I283-I287 VanDerWaalsContact O-CG1 3.26Å; I283-I287 WeakPolarHBondContact O-CG1 3.38Å; I283-I287 PolarHBondContact O-N 2.82Å; I287-G289 VanDerWaalsContact C-N 3.32Å; I287-G289 PolarHBondContact O-N 3.31Å; I287-L290 PolarHBondContact O-N 2.94Å; I287-V291 HydrophobicContact CG2-CG2 4.29Å; I287-V291 WeakPolarHBondContact O-CB 3.34Å; I287-V291 VanDerWaalsContact O-CG2 3.28Å; I287-V291 WeakPolarHBondContact O-CG2 3.25Å; I287-V291 PolarHBondContact O-N 3.16Å |
| 288 | A | 67.6 | Low | 65 | Low | 50 Ų | 50 | 96.3 Ų | 96.3 | 41% | 0.413 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -60.8 | -42.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V284 V291 L292 | V284-A288 WeakPolarHBondContact O-CB 3.31Å; V284-A288 PolarHBondContact O-N 3.05Å; A288-V291 PolarHBondContact O-N 2.75Å; A288-L292 WeakPolarHBondContact O-CB 3.42Å; A288-L292 WeakPolarHBondContact O-CG 3.49Å; A288-L292 PolarHBondContact O-N 3.46Å |
| 289 | G | 71.8 | Confident | 66.3 | Low | 33 Ų | 33 | 90.5 Ų | 90.5 | 34% | 0.34 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -61.4 | -44.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | G285 I286 I287 L292 F293 | G285-G289 PolarHBondContact O-N 2.96Å; I286-G289 PolarHBondContact O-N 3.43Å; I287-G289 VanDerWaalsContact C-N 3.32Å; I287-G289 PolarHBondContact O-N 3.31Å; G289-L292 PolarHBondContact O-N 3.18Å; G289-F293 WeakPolarHBondContact O-CB 2.84Å; G289-F293 PolarHBondContact O-N 2.87Å |
| 290 | L | 77.1 | Confident | 67.8 | Low | 120 Ų | 120 | 88.3 Ų | 88.3 | 63% | 0.628 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -67.8 | -38.9 | 178.5 | -74.3 | 169.9 | 0 | 0 | 0 | 112.8 | I286 I287 F293 G294 | I286-L290 HydrophobicContact CG2-CD1 3.95Å; I286-L290 HydrophobicContact CG2-CG 4.49Å; I286-L290 WeakPolarHBondContact O-CB 3.49Å; I286-L290 WeakPolarHBondContact O-CG 3.23Å; I286-L290 PolarHBondContact O-N 3.47Å; I287-L290 PolarHBondContact O-N 2.94Å; L290-F293 PolarHBondContact O-N 3.29Å; L290-G294 PolarHBondContact O-N 3.15Å |
| 291 | V | 76.4 | Confident | 69 | Low | 97 Ų | 97 | 85.8 Ų | 85.8 | 59% | 0.588 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.4 | -43.8 | 176.2 | 171.4 | 0 | 0 | 0 | 0 | 110.7 | I287 A288 G294 A295 | I287-V291 HydrophobicContact CG2-CG2 4.29Å; I287-V291 WeakPolarHBondContact O-CB 3.34Å; I287-V291 VanDerWaalsContact O-CG2 3.28Å; I287-V291 WeakPolarHBondContact O-CG2 3.25Å; I287-V291 PolarHBondContact O-N 3.16Å; A288-V291 PolarHBondContact O-N 2.75Å; V291-G294 PolarHBondContact O-N 2.9Å; V291-A295 WeakPolarHBondContact O-CB 3.5Å; V291-A295 PolarHBondContact O-N 3.34Å |
| 292 | L | 72.8 | Confident | 70 | Confident | 119 Ų | 119 | 84.8 Ų | 84.8 | 62% | 0.623 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.8 | -45.2 | 176.2 | -74.5 | 168.8 | 0 | 0 | 0 | 111.7 | A288 G289 G294 A295 V296 | A288-L292 WeakPolarHBondContact O-CB 3.42Å; A288-L292 WeakPolarHBondContact O-CG 3.49Å; A288-L292 PolarHBondContact O-N 3.46Å; G289-L292 PolarHBondContact O-N 3.18Å; L292-G294 PolarHBondContact O-N 2.86Å; L292-A295 PolarHBondContact O-N 2.69Å; L292-V296 VanDerWaalsContact O-CG2 3.32Å; L292-V296 WeakPolarHBondContact O-CG2 3.46Å; L292-V296 PolarHBondContact O-N 3.29Å |
| 293 | F | 72.5 | Confident | 70.9 | Confident | 148 Ų | 148 | 83.4 Ų | 83.4 | 65% | 0.649 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.6 | -43.9 | 175.6 | -109.3 | -89 | 0 | 0 | 0 | 112 | G289 L290 A295 V296 I297 | G289-F293 WeakPolarHBondContact O-CB 2.84Å; G289-F293 PolarHBondContact O-N 2.87Å; L290-F293 PolarHBondContact O-N 3.29Å; F293-A295 PolarHBondContact O-N 2.84Å; F293-V296 PolarHBondContact O-N 3.12Å; F293-I297 WeakPolarHBondContact O-CG1 3.47Å; F293-I297 PolarHBondContact O-N 2.93Å |
| 294 | G | 71.9 | Confident | 71.5 | Confident | 38 Ų | 38 | 80.6 Ų | 80.6 | 39% | 0.392 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.4 | -45 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L290 V291 L292 I297 T298 | L290-G294 PolarHBondContact O-N 3.15Å; V291-G294 PolarHBondContact O-N 2.9Å; L292-G294 PolarHBondContact O-N 2.86Å; G294-I297 PolarHBondContact O-N 2.87Å; G294-T298 PolarHBondContact O-N 3.46Å; G294-T298 PolarHBondContact O-OG1 3.25Å |
| 295 | A | 75.5 | Confident | 72.3 | Confident | 57 Ų | 57 | 78.8 Ų | 78.8 | 47% | 0.471 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.3 | -40.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | V291 L292 F293 T298 G299 | V291-A295 WeakPolarHBondContact O-CB 3.5Å; V291-A295 PolarHBondContact O-N 3.34Å; L292-A295 PolarHBondContact O-N 2.69Å; F293-A295 PolarHBondContact O-N 2.84Å; A295-T298 WeakPolarHBondContact CA-OG1 3.5Å; A295-T298 PolarHBondContact O-OG1 2.82Å; A295-G299 PolarHBondContact O-N 3.15Å |
| 296 | V | 78.4 | Confident | 73 | Confident | 102 Ų | 102 | 83 Ų | 83 | 62% | 0.618 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.7 | -44.3 | 176.1 | 171.9 | 0 | 0 | 0 | 0 | 110.8 | L292 F293 G299 A300 | L292-V296 VanDerWaalsContact O-CG2 3.32Å; L292-V296 WeakPolarHBondContact O-CG2 3.46Å; L292-V296 PolarHBondContact O-N 3.29Å; F293-V296 PolarHBondContact O-N 3.12Å; V296-G299 PolarHBondContact O-N 3.18Å; V296-A300 WeakPolarHBondContact O-CB 3.37Å; V296-A300 PolarHBondContact O-N 3.29Å |
| 297 | I | 74.4 | Confident | 73.3 | Confident | 101 Ų | 101 | 88.2 Ų | 88.2 | 52% | 0.518 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.2 | -45.2 | 178.6 | -68.1 | 179.4 | 0 | 0 | 0 | 110.7 | F293 G294 G299 A300 V301 | F293-I297 WeakPolarHBondContact O-CG1 3.47Å; F293-I297 PolarHBondContact O-N 2.93Å; G294-I297 PolarHBondContact O-N 2.87Å; I297-G299 PolarHBondContact O-N 3.17Å; I297-A300 PolarHBondContact O-N 3.14Å; I297-V301 HydrophobicContact CG2-CG2 4.39Å; I297-V301 VanDerWaalsContact O-CG2 3.27Å; I297-V301 WeakPolarHBondContact O-CG2 3.41Å; I297-V301 PolarHBondContact O-N 3.16Å |
| 298 | T | 71.3 | Confident | 73.3 | Confident | 89 Ų | 89 | 93 Ų | 93 | 55% | 0.546 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.6 | -42.6 | 176.6 | 23.6 | 0 | 0 | 0 | 0 | 111.8 | G294 A295 A300 V301 V302 | G294-T298 PolarHBondContact O-N 3.46Å; G294-T298 PolarHBondContact O-OG1 3.25Å; A295-T298 WeakPolarHBondContact CA-OG1 3.5Å; A295-T298 PolarHBondContact O-OG1 2.82Å; T298-A300 PolarHBondContact O-N 3.48Å; T298-V301 PolarHBondContact O-N 2.84Å; T298-V302 WeakPolarHBondContact O-CB 3.47Å; T298-V302 VanDerWaalsContact O-CG2 3.27Å; T298-V302 WeakPolarHBondContact O-CG2 3.46Å; T298-V302 PolarHBondContact O-N 3.13Å |
| 299 | G | 73.1 | Confident | 73 | Confident | 42 Ų | 42 | 99.9 Ų | 99.9 | 43% | 0.433 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -59 | -45.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | A295 V296 I297 V302 A303 | A295-G299 PolarHBondContact O-N 3.15Å; V296-G299 PolarHBondContact O-N 3.18Å; I297-G299 PolarHBondContact O-N 3.17Å; G299-V302 PolarHBondContact O-N 3.48Å; G299-A303 WeakPolarHBondContact O-CB 3.11Å; G299-A303 PolarHBondContact O-N 3.1Å |
| 300 | A | 75.3 | Confident | 72.1 | Confident | 59 Ų | 59 | 107 Ų | 107 | 49% | 0.488 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -64.7 | -41.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V296 I297 T298 A303 A304 | V296-A300 WeakPolarHBondContact O-CB 3.37Å; V296-A300 PolarHBondContact O-N 3.29Å; I297-A300 PolarHBondContact O-N 3.14Å; T298-A300 PolarHBondContact O-N 3.48Å; A300-A303 PolarHBondContact O-N 2.96Å; A300-A304 VanDerWaalsContact O-CB 3.3Å; A300-A304 WeakPolarHBondContact O-CB 3.44Å; A300-A304 PolarHBondContact O-N 3.31Å |
| 301 | V | 75.9 | Confident | 71 | Confident | 83 Ų | 83 | 104.6 Ų | 104.6 | 50% | 0.503 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -65.3 | -45.1 | 177 | 172.2 | 0 | 0 | 0 | 0 | 110.9 | I297 T298 A303 A304 V305 | I297-V301 HydrophobicContact CG2-CG2 4.39Å; I297-V301 VanDerWaalsContact O-CG2 3.27Å; I297-V301 WeakPolarHBondContact O-CG2 3.41Å; I297-V301 PolarHBondContact O-N 3.16Å; T298-V301 PolarHBondContact O-N 2.84Å; V301-A303 PolarHBondContact O-N 3.4Å; V301-A304 PolarHBondContact O-N 3.02Å; V301-V305 HydrophobicContact CG1-CG2 4.32Å; V301-V305 WeakPolarHBondContact O-CB 3.18Å; V301-V305 VanDerWaalsContact O-CG2 3.27Å; V301-V305 WeakPolarHBondContact O-CG2 3.33Å; V301-V305 PolarHBondContact O-N 2.7Å |
| 302 | V | 75.6 | Confident | 69.9 | Low | 84 Ų | 84 | 103.8 Ų | 103.8 | 51% | 0.509 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62.3 | -44.5 | 177.4 | 172.8 | 0 | 0 | 0 | 0 | 110.7 | T298 G299 A304 V305 M306 | T298-V302 WeakPolarHBondContact O-CB 3.47Å; T298-V302 VanDerWaalsContact O-CG2 3.27Å; T298-V302 WeakPolarHBondContact O-CG2 3.46Å; T298-V302 PolarHBondContact O-N 3.13Å; G299-V302 PolarHBondContact O-N 3.48Å; V302-A304 PolarHBondContact O-N 3.05Å; V302-V305 PolarHBondContact O-N 3.28Å; V302-M306 HydrophobicContact CG1-CG 4.48Å; V302-M306 HydrophobicContact CG1-SD 4.18Å; V302-M306 WeakPolarHBondContact O-CB 3.31Å; V302-M306 WeakPolarHBondContact O-CG 3.3Å; V302-M306 PolarHBondContact O-N 3Å |
| 303 | A | 72.4 | Confident | 68.7 | Low | 60 Ų | 60 | 105.6 Ų | 105.6 | 50% | 0.496 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -61.3 | -43.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | G299 A300 V301 M306 W307 | G299-A303 WeakPolarHBondContact O-CB 3.11Å; G299-A303 PolarHBondContact O-N 3.1Å; A300-A303 PolarHBondContact O-N 2.96Å; V301-A303 PolarHBondContact O-N 3.4Å; A303-M306 PolarHBondContact O-N 3.09Å; A303-W307 WeakPolarHBondContact O-CB 3.29Å; A303-W307 PolarHBondContact O-N 3.15Å |
| 304 | A | 72.8 | Confident | 67.5 | Low | 57 Ų | 57 | 109.4 Ų | 109.4 | 47% | 0.471 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -65.2 | -39.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | A300 V301 V302 W307 R308 | A300-A304 VanDerWaalsContact O-CB 3.3Å; A300-A304 WeakPolarHBondContact O-CB 3.44Å; A300-A304 PolarHBondContact O-N 3.31Å; V301-A304 PolarHBondContact O-N 3.02Å; V302-A304 PolarHBondContact O-N 3.05Å; A304-W307 PolarHBondContact O-N 3.31Å; A304-R308 WeakPolarHBondContact O-CB 3.46Å; A304-R308 PolarHBondContact O-N 3.4Å |
| 305 | V | 72.9 | Confident | 65.8 | Low | 82 Ų | 82 | 117.1 Ų | 117.1 | 50% | 0.497 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -67.3 | -42.4 | 176.3 | 170.6 | 0 | 0 | 0 | 0 | 111 | V301 V302 W307 R308 R309 | V301-V305 HydrophobicContact CG1-CG2 4.32Å; V301-V305 WeakPolarHBondContact O-CB 3.18Å; V301-V305 VanDerWaalsContact O-CG2 3.27Å; V301-V305 WeakPolarHBondContact O-CG2 3.33Å; V301-V305 PolarHBondContact O-N 2.7Å; V302-V305 PolarHBondContact O-N 3.28Å; V305-W307 VanDerWaalsContact C-N 3.35Å; V305-R308 PolarHBondContact O-N 3.11Å; V305-R309 PolarHBondContact O-N 3.15Å |
| 306 | M | 73.5 | Confident | 63.9 | Low | 131 Ų | 131 | 118.3 Ų | 118.3 | 65% | 0.645 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -64.1 | -39.5 | 174.9 | -73.6 | -175.8 | 68.3 | 0 | 0 | 112 | V302 A303 R309 K310 | V302-M306 HydrophobicContact CG1-CG 4.48Å; V302-M306 HydrophobicContact CG1-SD 4.18Å; V302-M306 WeakPolarHBondContact O-CB 3.31Å; V302-M306 WeakPolarHBondContact O-CG 3.3Å; V302-M306 PolarHBondContact O-N 3Å; A303-M306 PolarHBondContact O-N 3.09Å; M306-R309 PolarHBondContact O-N 3.19Å; M306-K310 WeakPolarHBondContact O-CB 3.23Å; M306-K310 PolarHBondContact O-N 3.05Å |
| 307 | W | 71.4 | Confident | 61.7 | Low | 204 Ų | 204 | 117.3 Ų | 117.3 | 77% | 0.773 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -63.2 | -44.2 | 173.6 | -162.6 | -60.1 | 0 | 0 | 0 | 111.4 | A303 A304 V305 K310 S311 | A303-W307 WeakPolarHBondContact O-CB 3.29Å; A303-W307 PolarHBondContact O-N 3.15Å; A304-W307 PolarHBondContact O-N 3.31Å; V305-W307 VanDerWaalsContact C-N 3.35Å; W307-K310 PolarHBondContact O-N 3.24Å; W307-S311 WeakPolarHBondContact O-CB 3.4Å; W307-S311 PolarHBondContact O-N 3.13Å; W307-S311 PolarHBondContact O-OG 2.85Å |
| 308 | R | 66.2 | Low | 59.8 | Low | 198 Ų | 198 | 118.2 Ų | 118.2 | 75% | 0.747 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -60.8 | -46.6 | 175.1 | -93 | -173.4 | 177.7 | 175.1 | 0.8 | 111.8 | A304 V305 K310 S311 S312 | A304-R308 WeakPolarHBondContact O-CB 3.46Å; A304-R308 PolarHBondContact O-N 3.4Å; V305-R308 PolarHBondContact O-N 3.11Å; R308-K310 VanDerWaalsContact C-N 3.33Å; R308-K310 PolarHBondContact O-N 3.38Å; R308-S311 WeakPolarHBondContact CA-OG 3.37Å; R308-S311 PolarHBondContact O-N 2.89Å; R308-S311 VanDerWaalsContact O-N 3.09Å; R308-S311 PolarHBondContact O-OG 3.3Å; R308-S312 PolarHBondContact O-N 3.38Å; R308-S312 PolarHBondContact O-OG 3.12Å |
| 309 | R | 60.8 | Low | 58 | Low | 194 Ų | 194 | 124.3 Ų | 124.3 | 73% | 0.732 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -59.9 | -40.7 | 176.4 | -106.6 | -177.5 | 167.2 | 176.4 | -3.2 | 112.5 | V305 M306 S311 S312 | V305-R309 PolarHBondContact O-N 3.15Å; M306-R309 PolarHBondContact O-N 3.19Å; R309-S311 VanDerWaalsContact C-N 3.29Å; R309-S311 PolarHBondContact O-N 3.14Å; R309-S312 WeakPolarHBondContact CA-OG 3.41Å; R309-S312 PolarHBondContact O-N 3.41Å; R309-S312 PolarHBondContact O-OG 2.77Å; R309-S312 VanDerWaalsContact O-OG 3.08Å |
| 310 | K | 54.3 | Low | 56.1 | Low | 182 Ų | 182 | 127.1 Ų | 127.1 | 79% | 0.791 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -70.1 | -25.1 | 176.5 | -164.3 | 173.4 | -178.8 | 179.4 | 0 | 112.9 | M306 W307 R308 | M306-K310 WeakPolarHBondContact O-CB 3.23Å; M306-K310 PolarHBondContact O-N 3.05Å; W307-K310 PolarHBondContact O-N 3.24Å; R308-K310 VanDerWaalsContact C-N 3.33Å; R308-K310 PolarHBondContact O-N 3.38Å |
| 311 | S | 53.9 | Low | 54.1 | Low | 70 Ų | 70 | 133.2 Ų | 133.2 | 49% | 0.49 | 70% | 0.701 | S | S | . | * | H | α-helix | trans | -87.3 | -24.3 | 176.4 | 70 | 0 | 0 | 0 | 0 | 114.3 | W307 R308 R309 | W307-S311 WeakPolarHBondContact O-CB 3.4Å; W307-S311 PolarHBondContact O-N 3.13Å; W307-S311 PolarHBondContact O-OG 2.85Å; R308-S311 WeakPolarHBondContact CA-OG 3.37Å; R308-S311 PolarHBondContact O-N 2.89Å; R308-S311 VanDerWaalsContact O-N 3.09Å; R308-S311 PolarHBondContact O-OG 3.3Å; R309-S311 VanDerWaalsContact C-N 3.29Å; R309-S311 PolarHBondContact O-N 3.14Å |
| 312 | S | 53.3 | Low | 52 | Low | 80 Ų | 80 | 133.8 Ų | 133.8 | 56% | 0.559 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -82 | -18.1 | 179.9 | 56.5 | 0 | 0 | 0 | 0 | 114.2 | R308 R309 R314 | R308-S312 PolarHBondContact O-N 3.38Å; R308-S312 PolarHBondContact O-OG 3.12Å; R309-S312 WeakPolarHBondContact CA-OG 3.41Å; R309-S312 PolarHBondContact O-N 3.41Å; R309-S312 PolarHBondContact O-OG 2.77Å; R309-S312 VanDerWaalsContact O-OG 3.08Å; S312-R314 PolarHBondContact O-N 2.92Å |
| 313 | D | 46.7 | Very low | 50 | Low | 156 Ų | 156 | 134.4 Ų | 134.4 | 83% | 0.834 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | 5.1 | 174.1 | -101.9 | -5.5 | 0 | 0 | 0 | 114 | ||
| 314 | R | 46.8 | Very low | 48.1 | Very low | 228 Ų | 228 | 137 Ų | 137 | 86% | 0.86 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.5 | 12.1 | -175 | -148.5 | 178.3 | 172.5 | 160.4 | -0.6 | 116.2 | S312 | S312-R314 PolarHBondContact O-N 2.92Š|
| 315 | K | 37.9 | Very low | 46.4 | Very low | 201 Ų | 201 | 139.6 Ų | 139.6 | 87% | 0.874 | 76% | 0.758 | S | S | * | * | trans | -155.3 | 85.1 | 172 | -111.6 | 168.2 | -174 | -175.8 | 0 | 112.2 | ||||
| 316 | G | 34.7 | Very low | 44.7 | Very low | 81 Ų | 81 | 143.1 Ų | 143.1 | 84% | 0.835 | 77% | 0.774 | S | S | * | * | trans | -84.2 | 138.5 | 162 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 317 | G | 32.1 | Very low | 43.3 | Very low | 81 Ų | 81 | 142.9 Ų | 142.9 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | trans | 90.8 | 106.3 | 148 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 318 | S | 34.2 | Very low | 41.6 | Very low | 121 Ų | 121 | 137.5 Ų | 137.5 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | -178.3 | 129.9 | 115 | -172.1 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 319 | Y | 33.6 | Very low | 40.2 | Very low | 217 Ų | 217 | 137.3 Ų | 137.3 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | trans | -60.3 | 162.1 | 161.3 | -73.1 | -104.3 | 0 | 0 | 0 | 109.7 | ||||
| 320 | S | 34.3 | Very low | 39 | Very low | 101 Ų | 101 | 131.8 Ų | 131.8 | 71% | 0.706 | 80% | 0.795 | S | S | * | * | cis | -171.2 | 139 | 40.8 | -20.8 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 321 | Q | 32.4 | Very low | 38.3 | Very low | 186 Ų | 186 | 128 Ų | 128 | 87% | 0.869 | 79% | 0.791 | S | S | * | * | 93.9 | 126.8 | 96.9 | -163.3 | 173.8 | 11 | 0 | 0 | 116.8 | |||||
| 322 | A | 31.3 | Very low | 37.6 | Very low | 95 Ų | 95 | 131.1 Ų | 131.1 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | trans | 71.4 | 119.2 | 157.5 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 323 | A | 34.8 | Very low | 36.8 | Very low | 98 Ų | 98 | 133.1 Ų | 133.1 | 81% | 0.81 | 81% | 0.811 | S | S | * | * | -173 | 126.7 | 91.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 324 | S | 32.8 | Very low | 36.3 | Very low | 113 Ų | 113 | 129.7 Ų | 129.7 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | trans | -11.1 | 131.7 | 147.2 | 143.2 | 0 | 0 | 0 | 0 | 118 | ||||
| 325 | S | 37.3 | Very low | 36.1 | Very low | 112 Ų | 112 | 127.2 Ų | 127.2 | 78% | 0.783 | 80% | 0.802 | S | S | * | * | -165.8 | 124.8 | 120.8 | 56.6 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 326 | D | 35.6 | Very low | 36.2 | Very low | 157 Ų | 157 | 123.5 Ų | 123.5 | 84% | 0.84 | 80% | 0.797 | S | S | * | * | trans | -52.9 | 144.6 | 168.4 | -72.7 | -52.2 | 0 | 0 | 0 | 113.7 | ||||
| 327 | S | 43.8 | Very low | 36.3 | Very low | 125 Ų | 125 | 123.5 Ų | 123.5 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | trans | -154.4 | 123.2 | 138.1 | -49.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 328 | A | 36.2 | Very low | 36.6 | Very low | 91 Ų | 91 | 125.1 Ų | 125.1 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | trans | -71.3 | 150 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 329 | Q | 38.3 | Very low | 36.8 | Very low | 195 Ų | 195 | 128.5 Ų | 128.5 | 91% | 0.911 | 79% | 0.786 | S | S | * | * | 159.5 | 123.7 | 114.3 | -95.1 | 177.6 | -30.4 | 0 | 0 | 109.8 | |||||
| 330 | G | 34.9 | Very low | 37.1 | Very low | 78 Ų | 78 | 128.5 Ų | 128.5 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | 175.1 | 43.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 331 | S | 38.6 | Very low | 37.3 | Very low | 101 Ų | 101 | 129.9 Ų | 129.9 | 71% | 0.706 | 81% | 0.813 | S | S | * | * | trans | -71 | 147.3 | 152.4 | 27.9 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 332 | D | 39.2 | Very low | 37.5 | Very low | 137 Ų | 137 | 126.9 Ų | 126.9 | 73% | 0.733 | 81% | 0.81 | S | S | * | * | cis | -167.5 | 152.2 | 5.5 | -124.8 | -19.9 | 0 | 0 | 0 | 107 | ||||
| 333 | V | 37.8 | Very low | 37.9 | Very low | 122 Ų | 122 | 128.7 Ų | 128.7 | 74% | 0.739 | 81% | 0.811 | S | S | * | * | 48.2 | 133.9 | 127.3 | 166.3 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 334 | S | 35.9 | Very low | 38.1 | Very low | 83 Ų | 83 | 130.5 Ų | 130.5 | 58% | 0.58 | 81% | 0.811 | S | S | * | * | cis | -176.7 | 167.6 | 3.7 | -83.4 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 335 | L | 41.9 | Very low | 38.4 | Very low | 176 Ų | 176 | 131.6 Ų | 131.6 | 92% | 0.921 | 81% | 0.813 | S | S | * | * | -171 | 103 | 125.8 | -99.3 | 161 | 0 | 0 | 0 | 109.6 | |||||
| 336 | T | 40.3 | Very low | 38.5 | Very low | 124 Ų | 124 | 132.9 Ų | 132.9 | 76% | 0.761 | 82% | 0.815 | S | S | * | * | trans | -71.1 | 122.7 | 167.1 | -33.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 337 | A | 38 | Very low | 38.7 | Very low | 81 Ų | 81 | 131.2 Ų | 131.2 | 67% | 0.669 | 81% | 0.813 | S | S | * | * | 68.9 | 139.8 | 128.7 | 0 | 0 | 0 | 0 | 0 | 123 | |||||
| 338 | C | 36.4 | Very low | 38.3 | Very low | 115 Ų | 115 | 131.7 Ų | 131.7 | 78% | 0.777 | 81% | 0.808 | S | S | * | * | trans | 81.8 | 107.3 | 142.7 | -75.9 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 339 | K | 38.6 | Very low | 38.4 | Very low | 192 Ų | 192 | 135.1 Ų | 135.1 | 84% | 0.835 | 81% | 0.813 | S | S | * | * | 85.1 | 100 | 70.2 | -170.2 | -173.5 | -155.7 | -178.3 | 0 | 110.6 | |||||
| 340 | V | 41.4 | Very low | 38.5 | Very low | 217 Ų | 217 | 129.6 Ų | 129.6 | 100% | 1.315 | 80% | 0.804 | S | S | * | * | -141.6 | 0 | 117 | 176.6 | 0 | 0 | 0 | 0 | 106.9 |
Retrieved 340 of 340 residues in 1489.1 ms
(Link to these results)