| 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 | Very high | 97.9 | Very high | 109 Ų | 109 | 36.7 Ų | 36.7 | 76% | 0.762 | 20% | 0.204 | S | C | * | . | 0 | 160 | 0 | 41 | 0 | 0 | 0 | 0 | 107.6 | V102 | S1-V102 WeakPolarHBondContact CA-O 3.43Å; S1-V102 VanDerWaalsContact CB-O 3.28Å; S1-V102 WeakPolarHBondContact CB-O 3.47Å | |||
| 2 | H | 96.5 | Very high | 97.9 | Very high | 35 Ų | 35 | 35.2 Ų | 35.2 | 16% | 0.162 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 161.4 | 179.5 | -63.4 | -78.3 | 0 | 0 | 0 | 111.4 | D28 D101 V102 L167 L171 | H2-D28 WeakPolarHBondContact CA-OD1 3.24Å; H2-D28 IonicContact CE1-OD2 2.7Å; H2-D28 IonicContact CG-OD2 3.04Å; H2-D28 IonicContact ND1-OD1 3.39Å; H2-D28 IonicContact ND1-OD2 3.24Å; H2-D28 PolarHBondContact ND1-OD2 3.41Å; H2-D101 CarbonylContact O-C 3.58Å; H2-D101 WeakPolarHBondContact O-CA 3.35Å; H2-V102 HydrophobicContact CB-CG2 3.99Å; H2-V102 PolarHBondContact N-O 3.27Å; H2-V102 PolarHBondContact O-N 3.13Å; H2-L167 HydrophobicContact CB-CD1 4.5Å; H2-L171 HydrophobicContact CB-CD1 3.45Å; H2-L171 VanDerWaalsContact CB-CD1 3.45Å; H2-L171 HydrophobicContact CB-CD2 4.38Å |
| 3 | S | 97.9 | Very high | 97.7 | Very high | 22 Ų | 22 | 37.7 Ų | 37.7 | 15% | 0.154 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 151.8 | 179.2 | 67.1 | 0 | 0 | 0 | 0 | 112.2 | V27 D28 C100 D101 | S3-V27 CarbonylContact O-C 3.45Å; S3-V27 WeakPolarHBondContact O-CA 3.47Å; S3-D28 PolarHBondContact N-OD1 3.37Å; S3-D28 PolarHBondContact O-N 3.47Å; S3-D28 PolarHBondContact OG-OD1 2.63Å; S3-C100 WeakPolarHBondContact CA-O 3.31Å; S3-D101 WeakPolarHBondContact CB-OD1 3.42Å |
| 4 | M | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 123.1 | 166.1 | -175 | 172.5 | 55.8 | 0 | 0 | 108.7 | Y6 Y26 V27 F32 G99 C100 C163 W166 L167 Y170 | M4-Y6 HydrophobicContact CE-CE2 4.11Å; M4-Y6 HydrophobicContact CG-CE2 3.93Å; M4-Y6 HydrophobicContact SD-CE2 3.79Å; M4-Y26 CarbonylContact C-O 3.59Å; M4-Y26 WeakPolarHBondContact CA-O 3.42Å; M4-V27 HydrophobicContact CG-CG2 4.46Å; M4-F32 HydrophobicContact CG-CE1 4.45Å; M4-F32 HydrophobicContact SD-CZ 4.35Å; M4-G99 CarbonylContact O-C 3.55Å; M4-G99 WeakPolarHBondContact O-CA 3.29Å; M4-C100 PolarHBondContact N-O 2.94Å; M4-C100 PolarHBondContact O-N 2.99Å; M4-C163 HydrophobicContact CE-CB 4.16Å; M4-C163 VanDerWaalsContact CE-O 3.22Å; M4-C163 WeakPolarHBondContact CE-O 3.46Å; M4-C163 WeakPolarHBondContact CE-SG 3.5Å; M4-W166 HydrophobicContact CE-CB 3.99Å; M4-W166 HydrophobicContact SD-CB 4.35Å; M4-L167 HydrophobicContact CB-CB 4.14Å; M4-L167 HydrophobicContact CB-CD1 4.01Å; M4-L167 HydrophobicContact CB-CD2 4.17Å; M4-L167 HydrophobicContact CB-CG 4.33Å; M4-Y170 HydrophobicContact SD-CD2 3.81Å; M4-Y170 HydrophobicContact SD-CE2 3.53Å; M4-Y170 VanDerWaalsContact SD-CE2 3.53Å |
| 5 | R | 98.7 | Very high | 96.7 | Very high | 49 Ų | 49 | 42 Ų | 42 | 19% | 0.185 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 136.5 | -178.2 | -56.5 | -62.1 | 179.4 | 77.3 | 6 | 111.2 | F7 G25 Y26 D101 Y112 | R5-F7 HydrophobicContact CB-CD2 4.46Å; R5-F7 HydrophobicContact CB-CE2 3.62Å; R5-F7 HydrophobicContact CB-CZ 3.96Å; R5-G25 CarbonylContact O-C 3.49Å; R5-G25 WeakPolarHBondContact O-CA 3.31Å; R5-Y26 PolarHBondContact N-O 2.89Å; R5-Y26 PolarHBondContact O-N 3.44Å; R5-D101 IonicContact CZ-OD1 3.53Å; R5-D101 IonicContact NE-OD1 3.49Å; R5-D101 PolarHBondContact NE-OD1 2.9Å; R5-D101 VanDerWaalsContact NH2-CG 3.27Å; R5-D101 IonicContact NH2-OD1 2.76Å; R5-D101 PolarHBondContact NH2-OD1 2.94Å; R5-D101 IonicContact NH2-OD2 3Å; R5-D101 PolarHBondContact NH2-OD2 3.31Å; R5-Y112 VanDerWaalsContact CZ-CE2 3.41Å; R5-Y112 PolarHBondContact NH2-OH 3.31Å |
| 6 | Y | 98.8 | Very high | 96.4 | Very high | 7 Ų | 7 | 52.8 Ų | 52.8 | 3% | 0.027 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 136.7 | 170.5 | -67.7 | -91.7 | 0 | 0 | 0 | 109.8 | M4 Y8 V24 F32 V33 M97 Y98 | M4-Y6 HydrophobicContact CE-CE2 4.11Å; M4-Y6 HydrophobicContact CG-CE2 3.93Å; M4-Y6 HydrophobicContact SD-CE2 3.79Å; Y6-Y8 HydrophobicContact CD1-CE1 4.31Å; Y6-Y8 HydrophobicContact CG-CE1 4.5Å; Y6-V24 CarbonylContact C-O 3.59Å; Y6-V24 WeakPolarHBondContact CA-O 3.45Å; Y6-F32 AromaticContact CE1-CZ 3.87Å; Y6-F32 HydrophobicContact CE1-CZ 3.87Å; Y6-F32 AromaticContact CZ-CZ 3.69Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.45Å; Y6-V33 HydrophobicContact CE1-CG2 3.98Å; Y6-M97 WeakPolarHBondContact O-CA 3.28Å; Y6-Y98 VanDerWaalsContact CB-CZ 3.5Å; Y6-Y98 HydrophobicContact CD2-CD2 4.28Å; Y6-Y98 AromaticContact CD2-CE2 3.46Å; Y6-Y98 HydrophobicContact CD2-CE2 3.46Å; Y6-Y98 VanDerWaalsContact CD2-CE2 3.46Å; Y6-Y98 AromaticContact CD2-CZ 3.61Å; Y6-Y98 WeakPolarHBondContact CD2-OH 3.5Å; Y6-Y98 HydrophobicContact CE2-CE2 4.19Å; Y6-Y98 HydrophobicContact CG-CE1 4.26Å; Y6-Y98 HydrophobicContact CG-CE2 4Å; Y6-Y98 AromaticContact CG-CZ 3.65Å; Y6-Y98 PolarHBondContact N-O 3.17Å; Y6-Y98 PolarHBondContact O-N 3Å; Y6-Y98 VanDerWaalsContact O-N 3.1Å |
| 7 | F | 98.8 | Very high | 96.1 | Very high | 86 Ų | 86 | 53.2 Ų | 53.2 | 38% | 0.377 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 117.9 | 178.8 | -57 | -96.3 | 0 | 0 | 0 | 109.4 | R5 A23 V24 Y26 R96 M97 | R5-F7 HydrophobicContact CB-CD2 4.46Å; R5-F7 HydrophobicContact CB-CE2 3.62Å; R5-F7 HydrophobicContact CB-CZ 3.96Å; F7-A23 WeakPolarHBondContact O-CA 3.29Å; F7-V24 HydrophobicContact CB-CG2 3.83Å; F7-V24 HydrophobicContact CD2-CG2 4.31Å; F7-V24 PolarHBondContact N-O 3.24Å; F7-V24 PolarHBondContact O-N 3.5Å; F7-Y26 HydrophobicContact CD2-CD2 4.13Å; F7-Y26 HydrophobicContact CE2-CD2 4.15Å; F7-R96 WeakPolarHBondContact CA-O 3.49Å; F7-M97 HydrophobicContact CD1-CB 3.97Å; F7-M97 HydrophobicContact CD1-CG 3.63Å; F7-M97 HydrophobicContact CE1-CB 4.13Å; F7-M97 HydrophobicContact CE1-CG 3.38Å; F7-M97 HydrophobicContact CG-CG 4.43Å; F7-M97 HydrophobicContact CZ-CG 4Å |
| 8 | Y | 98.8 | Very high | 95.9 | Very high | 5 Ų | 5 | 56 Ų | 56 | 2% | 0.02 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 133.9 | 178.1 | -58.2 | -9.9 | 0 | 0 | 0 | 108.9 | Y6 F21 I22 A23 H69 Q95 R96 Y98 | Y6-Y8 HydrophobicContact CD1-CE1 4.31Å; Y6-Y8 HydrophobicContact CG-CE1 4.5Å; Y8-F21 HydrophobicContact CD1-CZ 4.42Å; Y8-F21 HydrophobicContact CD2-CE2 4.42Å; Y8-F21 AromaticContact CD2-CZ 3.83Å; Y8-F21 HydrophobicContact CD2-CZ 3.83Å; Y8-F21 HydrophobicContact CE2-CZ 4.45Å; Y8-F21 HydrophobicContact CG-CE2 4.44Å; Y8-F21 AromaticContact CG-CZ 3.79Å; Y8-F21 HydrophobicContact CG-CZ 3.79Å; Y8-I22 CarbonylContact C-O 3.56Å; Y8-I22 WeakPolarHBondContact CA-O 3.33Å; Y8-A23 HydrophobicContact CD1-CB 3.28Å; Y8-A23 HydrophobicContact CE1-CB 3.48Å; Y8-A23 VanDerWaalsContact CE1-CB 3.48Å; Y8-A23 HydrophobicContact CG-CB 4.13Å; Y8-H69 HydrophobicContact CD2-CB 4.34Å; Y8-H69 HydrophobicContact CE2-CB 4.03Å; Y8-H69 AromaticContact CE2-CD2 3.68Å; Y8-H69 AromaticContact CE2-CG 3.78Å; Y8-Q95 CarbonylContact O-C 3.58Å; Y8-Q95 VanDerWaalsContact O-CA 3.32Å; Y8-Q95 WeakPolarHBondContact O-CA 3.38Å; Y8-R96 PolarHBondContact N-O 3.41Å; Y8-R96 PolarHBondContact O-N 3.38Å; Y8-Y98 HydrophobicContact CD2-CE1 4.38Å; Y8-Y98 HydrophobicContact CE1-CE1 4.16Å; Y8-Y98 AromaticContact CE2-CE1 3.74Å; Y8-Y98 HydrophobicContact CE2-CE1 3.74Å; Y8-Y98 AromaticContact CZ-CE1 3.63Å; Y8-Y98 PolarHBondContact OH-OH 3.18Å |
| 9 | T | 98.8 | Very high | 96 | Very high | 41 Ų | 41 | 54.4 Ų | 54.4 | 25% | 0.252 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 127.1 | 177.7 | -57.5 | 0 | 0 | 0 | 0 | 109.4 | V11 F21 I22 T93 L94 Q95 | T9-V11 HydrophobicContact CG2-CG2 4.2Å; T9-F21 WeakPolarHBondContact O-CA 3.38Å; T9-I22 PolarHBondContact N-O 3.48Å; T9-I22 PolarHBondContact O-N 3.28Å; T9-T93 HydrophobicContact CG2-CG2 3.94Å; T9-L94 WeakPolarHBondContact CA-O 3.28Å; T9-Q95 HydrophobicContact CG2-CG 4.04Å |
| 10 | S | 98.6 | Very high | 96.1 | Very high | 2 Ų | 2 | 56.3 Ų | 56.3 | 1% | 0.014 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 129.3 | 173.6 | -57.1 | 0 | 0 | 0 | 0 | 110.2 | R20 F21 H73 T93 L94 | S10-R20 CarbonylContact C-O 3.58Å; S10-R20 VanDerWaalsContact CA-O 3.24Å; S10-R20 WeakPolarHBondContact CA-O 3.38Å; S10-F21 WeakPolarHBondContact OG-CD2 3.28Å; S10-H73 WeakPolarHBondContact OG-CB 3.29Å; S10-H73 PolarHBondContact OG-ND1 2.98Å; S10-T93 CarbonylContact O-C 3.59Å; S10-T93 VanDerWaalsContact O-CA 3.31Å; S10-T93 WeakPolarHBondContact O-CA 3.4Å; S10-L94 PolarHBondContact N-O 3.27Å; S10-L94 PolarHBondContact O-N 3.11Å |
| 11 | V | 98.4 | Very high | 96.2 | Very high | 48 Ų | 48 | 53.6 Ų | 53.6 | 29% | 0.291 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 116 | 177.5 | -174.1 | 0 | 0 | 0 | 0 | 108.4 | T9 P19 R20 H92 T93 | T9-V11 HydrophobicContact CG2-CG2 4.2Å; V11-P19 CarbonylContact O-C 3.55Å; V11-P19 WeakPolarHBondContact O-CA 3.33Å; V11-P19 WeakPolarHBondContact O-CB 3.41Å; V11-R20 PolarHBondContact N-O 2.9Å; V11-R20 PolarHBondContact O-N 3.43Å; V11-H92 WeakPolarHBondContact CA-O 3.4Å; V11-T93 HydrophobicContact CG2-CG2 4.24Å |
| 12 | S | 97.4 | Very high | 96.5 | Very high | 18 Ų | 18 | 50.4 Ų | 50.4 | 13% | 0.126 | 27% | 0.274 | C | S | . | . | trans | -67.1 | 148.9 | 174.9 | 73.4 | 0 | 0 | 0 | 0 | 110.5 | S91 H92 | S12-S91 PolarHBondContact O-OG 3.39Å; S12-H92 PolarHBondContact N-O 2.98Å; S12-H92 PolarHBondContact OG-N 3.34Å; S12-H92 PolarHBondContact OG-O 3.47Å | ||
| 13 | R | 95.8 | Very high | 96.6 | Very high | 68 Ų | 68 | 48.8 Ų | 48.8 | 26% | 0.257 | 27% | 0.267 | S | S | . | . | trans | -134.3 | 71.5 | -175.1 | -64.5 | -174.7 | -75.6 | -163 | -9.5 | 110.7 | G15 R16 E18 D38 | R13-G15 PolarHBondContact O-N 3.5Å; R13-R16 HydrophobicContact CB-CB 4.09Å; R13-R16 PolarHBondContact O-N 2.91Å; R13-E18 VanDerWaalsContact CZ-O 3.24Å; R13-E18 PolarHBondContact NE-O 3.28Å; R13-E18 PolarHBondContact NH2-O 3.4Å; R13-D38 IonicContact CZ-OD1 3.62Å; R13-D38 IonicContact CZ-OD2 2.82Å; R13-D38 IonicContact NH1-OD1 2.69Å; R13-D38 PolarHBondContact NH1-OD1 2.92Å; R13-D38 IonicContact NH1-OD2 3.55Å; R13-D38 PolarHBondContact NH1-OD2 3.28Å; R13-D38 IonicContact NH2-OD1 3.17Å; R13-D38 PolarHBondContact NH2-OD1 2.86Å; R13-D38 IonicContact NH2-OD2 2.71Å | ||
| 14 | P | 90.9 | Very high | 96.6 | Very high | 50 Ų | 50 | 48.9 Ų | 48.9 | 33% | 0.325 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50 | 127 | -177.6 | -26.6 | 34.4 | 0 | 0 | 0 | 112.2 | R16 E88 G90 | P14-R16 PolarHBondContact O-N 3.29Å; P14-E88 WeakPolarHBondContact CB-O 3.37Å; P14-E88 WeakPolarHBondContact CG-O 3.38Å; P14-G90 WeakPolarHBondContact CG-O 3.34Å |
| 15 | G | 89.1 | Confident | 96.6 | Very high | 90 Ų | 90 | 48.9 Ų | 48.9 | 93% | 0.928 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.9 | 3.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | R13 | R13-G15 PolarHBondContact O-N 3.5Š|
| 16 | R | 92.1 | Very high | 96.6 | Very high | 215 Ų | 215 | 49.9 Ų | 49.9 | 81% | 0.811 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -125.2 | 23.8 | -178.4 | -61 | -178.1 | -178.9 | -173.1 | 0.4 | 113.1 | R13 P14 | R13-R16 HydrophobicContact CB-CB 4.09Å; R13-R16 PolarHBondContact O-N 2.91Å; P14-R16 PolarHBondContact O-N 3.29Å |
| 17 | G | 90.9 | Very high | 96.6 | Very high | 59 Ų | 59 | 49.5 Ų | 49.5 | 61% | 0.608 | 27% | 0.269 | S | S | * | . | S | Bend | trans | 94.2 | -158.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 18 | E | 93.7 | Very high | 96.4 | Very high | 104 Ų | 104 | 46.8 Ų | 46.8 | 49% | 0.486 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -66.7 | 152 | -176.9 | -66.1 | -66.7 | 164.8 | 0 | 0 | 112.2 | R13 R20 R74 | R13-E18 VanDerWaalsContact CZ-O 3.24Å; R13-E18 PolarHBondContact NE-O 3.28Å; R13-E18 PolarHBondContact NH2-O 3.4Å; E18-R20 PolarHBondContact O-N 2.99Å; E18-R74 IonicContact OE1-NH1 3.66Å; E18-R74 PolarHBondContact OE1-NH1 3.39Å; E18-R74 WeakPolarHBondContact OE2-CD 3.45Å; E18-R74 IonicContact OE2-CZ 3.82Å; E18-R74 IonicContact OE2-NE 2.72Å; E18-R74 IonicContact OE2-NH1 3.7Å; E18-R74 PolarHBondContact OE2-NH1 2.94Å |
| 19 | P | 96.6 | Very high | 96.2 | Very high | 26 Ų | 26 | 49.8 Ų | 49.8 | 17% | 0.169 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -52.8 | 138.4 | 172.5 | -25.8 | 35 | 0 | 0 | 0 | 111.9 | V11 R74 L77 | V11-P19 CarbonylContact O-C 3.55Å; V11-P19 WeakPolarHBondContact O-CA 3.33Å; V11-P19 WeakPolarHBondContact O-CB 3.41Å; P19-R74 HydrophobicContact CG-CB 4.48Å; P19-R74 HydrophobicContact CG-CG 4.17Å; P19-L77 HydrophobicContact CB-CD1 3.71Å; P19-L77 HydrophobicContact CG-CD1 3.84Å |
| 20 | R | 98 | Very high | 96.1 | Very high | 91 Ų | 91 | 48.9 Ų | 48.9 | 34% | 0.343 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 128.3 | 171.4 | -170.5 | 174.7 | 178.1 | -176.1 | -2 | 108.2 | S10 V11 E18 I22 D36 D38 | S10-R20 CarbonylContact C-O 3.58Å; S10-R20 VanDerWaalsContact CA-O 3.24Å; S10-R20 WeakPolarHBondContact CA-O 3.38Å; V11-R20 PolarHBondContact N-O 2.9Å; V11-R20 PolarHBondContact O-N 3.43Å; E18-R20 PolarHBondContact O-N 2.99Å; R20-I22 HydrophobicContact CG-CG1 4.32Å; R20-D36 IonicContact CZ-OD1 3.6Å; R20-D36 IonicContact CZ-OD2 3.64Å; R20-D36 IonicContact NE-OD1 3.56Å; R20-D36 PolarHBondContact NE-OD1 3.43Å; R20-D36 VanDerWaalsContact NE-OD1 3.17Å; R20-D36 IonicContact NE-OD2 3.36Å; R20-D36 IonicContact NH2-OD1 3.84Å; R20-D36 IonicContact NH2-OD2 3.16Å; R20-D36 PolarHBondContact NH2-OD2 3.42Å; R20-D38 VanDerWaalsContact CD-OD2 3.29Å; R20-D38 WeakPolarHBondContact CD-OD2 3.34Å; R20-D38 IonicContact NE-OD2 3.41Å |
| 21 | F | 98.6 | Very high | 96 | Very high | 1 Ų | 1 | 51.1 Ų | 51.1 | 0% | 0.004 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 124.3 | 176.2 | -178.7 | -83.6 | 0 | 0 | 0 | 109.8 | Y8 T9 S10 A23 F35 S37 V66 H69 S70 H73 | Y8-F21 HydrophobicContact CD1-CZ 4.42Å; Y8-F21 HydrophobicContact CD2-CE2 4.42Å; Y8-F21 AromaticContact CD2-CZ 3.83Å; Y8-F21 HydrophobicContact CD2-CZ 3.83Å; Y8-F21 HydrophobicContact CE2-CZ 4.45Å; Y8-F21 HydrophobicContact CG-CE2 4.44Å; Y8-F21 AromaticContact CG-CZ 3.79Å; Y8-F21 HydrophobicContact CG-CZ 3.79Å; T9-F21 WeakPolarHBondContact O-CA 3.38Å; S10-F21 WeakPolarHBondContact OG-CD2 3.28Å; F21-A23 HydrophobicContact CE1-CB 3.65Å; F21-A23 HydrophobicContact CZ-CB 4.18Å; F21-F35 AromaticContact CD1-CD1 3.75Å; F21-F35 HydrophobicContact CD1-CD1 3.75Å; F21-F35 AromaticContact CD1-CE1 3.83Å; F21-F35 HydrophobicContact CD1-CE1 3.83Å; F21-F35 HydrophobicContact CE1-CD1 4.12Å; F21-F35 HydrophobicContact CE1-CE1 4.47Å; F21-S37 PolarHBondContact N-OG 2.88Å; F21-S37 PolarHBondContact O-N 3.45Å; F21-S37 PolarHBondContact O-OG 2.99Å; F21-V66 HydrophobicContact CD1-CG2 4.47Å; F21-V66 HydrophobicContact CE1-CG2 3.56Å; F21-V66 HydrophobicContact CZ-CG2 4.29Å; F21-H69 HydrophobicContact CZ-CB 4.18Å; F21-S70 WeakPolarHBondContact CB-OG 3.29Å; F21-H73 HydrophobicContact CD2-CB 4.17Å; F21-H73 HydrophobicContact CE2-CB 4.21Å; F21-H73 AromaticContact CE2-CG 3.78Å; F21-H73 AromaticContact CE2-ND1 3.67Å |
| 22 | I | 98.7 | Very high | 96 | Very high | 42 Ų | 42 | 48.9 Ų | 48.9 | 22% | 0.215 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 132 | 174.8 | -57.5 | 173.7 | 0 | 0 | 0 | 107.9 | Y8 T9 R20 V24 F35 | Y8-I22 CarbonylContact C-O 3.56Å; Y8-I22 WeakPolarHBondContact CA-O 3.33Å; T9-I22 PolarHBondContact N-O 3.48Å; T9-I22 PolarHBondContact O-N 3.28Å; R20-I22 HydrophobicContact CG-CG1 4.32Å; I22-V24 HydrophobicContact CG2-CG1 4.39Å; I22-F35 WeakPolarHBondContact CA-O 3.35Å |
| 23 | A | 98.8 | Very high | 96.1 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.008 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 138.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | F7 Y8 F21 R34 F35 V66 | F7-A23 WeakPolarHBondContact O-CA 3.29Å; Y8-A23 HydrophobicContact CD1-CB 3.28Å; Y8-A23 HydrophobicContact CE1-CB 3.48Å; Y8-A23 VanDerWaalsContact CE1-CB 3.48Å; Y8-A23 HydrophobicContact CG-CB 4.13Å; F21-A23 HydrophobicContact CE1-CB 3.65Å; F21-A23 HydrophobicContact CZ-CB 4.18Å; A23-R34 CarbonylContact O-C 3.55Å; A23-R34 WeakPolarHBondContact O-CA 3.4Å; A23-F35 HydrophobicContact CB-CB 4.29Å; A23-F35 PolarHBondContact N-O 3.42Å; A23-F35 PolarHBondContact O-N 2.93Å; A23-V66 HydrophobicContact CB-CG2 3.69Å |
| 24 | V | 98.8 | Very high | 96.2 | Very high | 24 Ų | 24 | 48.1 Ų | 48.1 | 15% | 0.145 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 145.9 | 174.2 | -62.6 | 0 | 0 | 0 | 0 | 109.8 | Y6 F7 I22 Y26 V33 R34 | Y6-V24 CarbonylContact C-O 3.59Å; Y6-V24 WeakPolarHBondContact CA-O 3.45Å; F7-V24 HydrophobicContact CB-CG2 3.83Å; F7-V24 HydrophobicContact CD2-CG2 4.31Å; F7-V24 PolarHBondContact N-O 3.24Å; F7-V24 PolarHBondContact O-N 3.5Å; I22-V24 HydrophobicContact CG2-CG1 4.39Å; V24-Y26 HydrophobicContact CB-CE2 4.04Å; V24-Y26 HydrophobicContact CG2-CD2 4.35Å; V24-Y26 HydrophobicContact CG2-CE2 3.77Å; V24-V33 WeakPolarHBondContact CA-O 3.31Å; V24-R34 HydrophobicContact CG1-CB 4.5Å; V24-R34 HydrophobicContact CG1-CG 4.22Å |
| 25 | G | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 138.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | R5 Q31 F32 V33 | R5-G25 CarbonylContact O-C 3.49Å; R5-G25 WeakPolarHBondContact O-CA 3.31Å; G25-Q31 WeakPolarHBondContact O-CA 3.47Å; G25-Q31 WeakPolarHBondContact O-CG 3.25Å; G25-F32 WeakPolarHBondContact O-CD1 3.35Å; G25-F32 PolarHBondContact O-N 3.28Å; G25-V33 PolarHBondContact N-O 2.91Å; G25-V33 VanDerWaalsContact N-O 3.08Å; G25-V33 PolarHBondContact O-N 2.92Å |
| 26 | Y | 98.6 | Very high | 97 | Very high | 69 Ų | 69 | 42.6 Ų | 42.6 | 27% | 0.271 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 141.5 | 178.9 | -73.8 | -101.9 | 0 | 0 | 0 | 110.5 | M4 R5 F7 V24 T30 Q31 | M4-Y26 CarbonylContact C-O 3.59Å; M4-Y26 WeakPolarHBondContact CA-O 3.42Å; R5-Y26 PolarHBondContact N-O 2.89Å; R5-Y26 PolarHBondContact O-N 3.44Å; F7-Y26 HydrophobicContact CD2-CD2 4.13Å; F7-Y26 HydrophobicContact CE2-CD2 4.15Å; V24-Y26 HydrophobicContact CB-CE2 4.04Å; V24-Y26 HydrophobicContact CG2-CD2 4.35Å; V24-Y26 HydrophobicContact CG2-CE2 3.77Å; Y26-T30 WeakPolarHBondContact CA-O 3.45Å; Y26-T30 VanDerWaalsContact CD1-C 3.47Å; Y26-Q31 HydrophobicContact CD1-CB 3.97Å; Y26-Q31 VanDerWaalsContact CD1-N 3.3Å; Y26-Q31 HydrophobicContact CD2-CG 4.42Å; Y26-Q31 HydrophobicContact CE1-CB 3.49Å; Y26-Q31 VanDerWaalsContact CE1-CB 3.49Å; Y26-Q31 HydrophobicContact CE1-CG 4.18Å; Y26-Q31 HydrophobicContact CE2-CB 4.17Å; Y26-Q31 HydrophobicContact CE2-CG 3.93Å; Y26-Q31 HydrophobicContact CG-CB 4.49Å |
| 27 | V | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 119.6 | 157.4 | 176.2 | 0 | 0 | 0 | 0 | 106 | S3 M4 D29 T30 F32 W50 L167 Y170 L171 L178 | S3-V27 CarbonylContact O-C 3.45Å; S3-V27 WeakPolarHBondContact O-CA 3.47Å; M4-V27 HydrophobicContact CG-CG2 4.46Å; V27-D29 PolarHBondContact O-N 2.93Å; V27-T30 PolarHBondContact N-O 3.38Å; V27-T30 PolarHBondContact O-N 3.48Å; V27-F32 HydrophobicContact CG2-CD1 3.98Å; V27-F32 HydrophobicContact CG2-CE1 4.02Å; V27-W50 HydrophobicContact CB-CH2 4.46Å; V27-W50 HydrophobicContact CG2-CH2 3.97Å; V27-L167 HydrophobicContact CG1-CD1 3.64Å; V27-L167 HydrophobicContact CG2-CD1 4.26Å; V27-Y170 HydrophobicContact CG2-CD2 3.98Å; V27-L171 HydrophobicContact CG1-CD2 3.98Å; V27-L171 HydrophobicContact CG1-CG 4.19Å; V27-L178 HydrophobicContact CB-CD1 4.28Å; V27-L178 HydrophobicContact CB-CD2 4.17Å; V27-L178 HydrophobicContact CG1-CD1 3.9Å; V27-L178 HydrophobicContact CG1-CD2 4.14Å |
| 28 | D | 95.9 | Very high | 97.6 | Very high | 29 Ų | 29 | 34 Ų | 34 | 16% | 0.155 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.3 | -123 | -165.8 | -54.4 | -39.2 | 0 | 0 | 0 | 110.6 | H2 S3 | H2-D28 WeakPolarHBondContact CA-OD1 3.24Å; H2-D28 IonicContact CE1-OD2 2.7Å; H2-D28 IonicContact CG-OD2 3.04Å; H2-D28 IonicContact ND1-OD1 3.39Å; H2-D28 IonicContact ND1-OD2 3.24Å; H2-D28 PolarHBondContact ND1-OD2 3.41Å; S3-D28 PolarHBondContact N-OD1 3.37Å; S3-D28 PolarHBondContact O-N 3.47Å; S3-D28 PolarHBondContact OG-OD1 2.63Å |
| 29 | D | 94.4 | Very high | 97.7 | Very high | 67 Ų | 67 | 30.4 Ų | 30.4 | 36% | 0.358 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 6.7 | 179.9 | -51.7 | -56.8 | 0 | 0 | 0 | 113.4 | V27 A210 F240 | V27-D29 PolarHBondContact O-N 2.93Å; D29-A210 HydrophobicContact CB-CB 4.14Å; D29-A210 VanDerWaalsContact CG-CB 3.49Å; D29-A210 VanDerWaalsContact OD2-CB 3.29Å; D29-A210 WeakPolarHBondContact OD2-CB 3.42Å; D29-A210 PolarHBondContact OD2-N 3.04Å; D29-F240 HydrophobicContact CB-CE1 4.49Å; D29-F240 HydrophobicContact CB-CE2 3.86Å; D29-F240 HydrophobicContact CB-CZ 3.51Å |
| 30 | T | 95.9 | Very high | 97.7 | Very high | 23 Ų | 23 | 34.5 Ų | 34.5 | 14% | 0.141 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 116 | -175.7 | -60.5 | 0 | 0 | 0 | 0 | 111.8 | Y26 V27 F32 L178 Y208 | Y26-T30 WeakPolarHBondContact CA-O 3.45Å; Y26-T30 VanDerWaalsContact CD1-C 3.47Å; V27-T30 PolarHBondContact N-O 3.38Å; V27-T30 PolarHBondContact O-N 3.48Å; T30-F32 PolarHBondContact O-N 3.01Å; T30-L178 HydrophobicContact CG2-CD2 4.05Å; T30-Y208 PolarHBondContact OG1-OH 3.47Å |
| 31 | Q | 97.2 | Very high | 97.5 | Very high | 49 Ų | 49 | 32.7 Ų | 32.7 | 23% | 0.229 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 130.5 | 173.9 | -166.3 | -179.8 | 2.4 | 0 | 0 | 110.5 | G25 Y26 V33 R47 | G25-Q31 WeakPolarHBondContact O-CA 3.47Å; G25-Q31 WeakPolarHBondContact O-CG 3.25Å; Y26-Q31 HydrophobicContact CD1-CB 3.97Å; Y26-Q31 VanDerWaalsContact CD1-N 3.3Å; Y26-Q31 HydrophobicContact CD2-CG 4.42Å; Y26-Q31 HydrophobicContact CE1-CB 3.49Å; Y26-Q31 VanDerWaalsContact CE1-CB 3.49Å; Y26-Q31 HydrophobicContact CE1-CG 4.18Å; Y26-Q31 HydrophobicContact CE2-CB 4.17Å; Y26-Q31 HydrophobicContact CE2-CG 3.93Å; Y26-Q31 HydrophobicContact CG-CB 4.49Å; Q31-V33 PolarHBondContact NE2-O 2.89Å; Q31-R47 HydrophobicContact CB-CB 4.48Å; Q31-R47 HydrophobicContact CG-CB 4.1Å; Q31-R47 HydrophobicContact CG-CG 4.36Å; Q31-R47 CarbonylContact O-C 3.52Å |
| 32 | F | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | -22.2 | 179.7 | 74.9 | -83 | 0 | 0 | 0 | 114.5 | M4 Y6 G25 V27 T30 P46 R47 A48 W50 I51 Y170 | M4-F32 HydrophobicContact CG-CE1 4.45Å; M4-F32 HydrophobicContact SD-CZ 4.35Å; Y6-F32 AromaticContact CE1-CZ 3.87Å; Y6-F32 HydrophobicContact CE1-CZ 3.87Å; Y6-F32 AromaticContact CZ-CZ 3.69Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.45Å; G25-F32 WeakPolarHBondContact O-CD1 3.35Å; G25-F32 PolarHBondContact O-N 3.28Å; V27-F32 HydrophobicContact CG2-CD1 3.98Å; V27-F32 HydrophobicContact CG2-CE1 4.02Å; T30-F32 PolarHBondContact O-N 3.01Å; F32-P46 CarbonylContact O-C 3.57Å; F32-R47 PolarHBondContact O-N 3.37Å; F32-A48 HydrophobicContact CB-CB 4.22Å; F32-W50 HydrophobicContact CB-CH2 3.12Å; F32-W50 HydrophobicContact CB-CZ2 3.35Å; F32-W50 HydrophobicContact CB-CZ3 3.97Å; F32-W50 HydrophobicContact CD1-CH2 4.12Å; F32-W50 AromaticContact CD2-CH2 3.88Å; F32-W50 HydrophobicContact CD2-CH2 3.88Å; F32-W50 HydrophobicContact CD2-CZ3 4.18Å; F32-W50 AromaticContact CG-CH2 3.48Å; F32-W50 HydrophobicContact CG-CH2 3.48Å; F32-W50 VanDerWaalsContact CG-CH2 3.48Å; F32-W50 HydrophobicContact CG-CZ2 4.16Å; F32-W50 HydrophobicContact CG-CZ3 4.23Å; F32-I51 HydrophobicContact CD2-CB 4.49Å; F32-I51 HydrophobicContact CD2-CD1 4.04Å; F32-I51 HydrophobicContact CD2-CG1 4.05Å; F32-I51 HydrophobicContact CE2-CD1 4.42Å; F32-I51 VanDerWaalsContact O-CG2 3.29Å; F32-I51 WeakPolarHBondContact O-CG2 3.06Å; F32-Y170 HydrophobicContact CE2-CD2 4.27Å; F32-Y170 AromaticContact CE2-CE2 3.69Å; F32-Y170 HydrophobicContact CE2-CE2 3.69Å; F32-Y170 AromaticContact CE2-CZ 4Å; F32-Y170 HydrophobicContact CZ-CD2 4.31Å; F32-Y170 AromaticContact CZ-CE2 3.81Å; F32-Y170 HydrophobicContact CZ-CE2 3.81Å |
| 33 | V | 98.5 | Very high | 97.3 | Very high | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.012 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 153.1 | 176 | -72.8 | 0 | 0 | 0 | 0 | 112.8 | Y6 V24 G25 Q31 M44 E45 I51 W59 | Y6-V33 HydrophobicContact CE1-CG2 3.98Å; V24-V33 WeakPolarHBondContact CA-O 3.31Å; G25-V33 PolarHBondContact N-O 2.91Å; G25-V33 VanDerWaalsContact N-O 3.08Å; G25-V33 PolarHBondContact O-N 2.92Å; Q31-V33 PolarHBondContact NE2-O 2.89Å; V33-M44 HydrophobicContact CB-CG 4.11Å; V33-M44 HydrophobicContact CB-SD 3.72Å; V33-M44 HydrophobicContact CG1-CG 4.12Å; V33-M44 HydrophobicContact CG1-SD 4.39Å; V33-M44 HydrophobicContact CG2-SD 4.16Å; V33-E45 WeakPolarHBondContact CA-O 3.42Å; V33-I51 HydrophobicContact CG1-CG1 4.48Å; V33-W59 HydrophobicContact CG1-CH2 4.13Å; V33-W59 HydrophobicContact CG1-CZ3 3.93Å |
| 34 | R | 98.5 | Very high | 97.3 | Very high | 68 Ų | 68 | 45.2 Ų | 45.2 | 26% | 0.257 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 143.8 | 172.3 | -179.5 | 173.6 | 170.5 | 100.3 | 6.1 | 111.4 | A23 V24 D36 M44 E45 R47 | A23-R34 CarbonylContact O-C 3.55Å; A23-R34 WeakPolarHBondContact O-CA 3.4Å; V24-R34 HydrophobicContact CG1-CB 4.5Å; V24-R34 HydrophobicContact CG1-CG 4.22Å; R34-D36 IonicContact NH2-OD2 3.69Å; R34-D36 PolarHBondContact NH2-OD2 2.86Å; R34-M44 VanDerWaalsContact C-SD 3.58Å; R34-E45 PolarHBondContact N-O 2.92Å; R34-E45 PolarHBondContact O-N 3.3Å; R34-R47 HydrophobicContact CB-CG 3.83Å |
| 35 | F | 98.8 | Very high | 97.3 | Very high | 6 Ų | 6 | 46.8 Ų | 46.8 | 3% | 0.026 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 142.7 | 165.2 | 174.8 | -85 | 0 | 0 | 0 | 109.7 | F21 I22 A23 R42 R43 M44 V66 K67 | F21-F35 AromaticContact CD1-CD1 3.75Å; F21-F35 HydrophobicContact CD1-CD1 3.75Å; F21-F35 AromaticContact CD1-CE1 3.83Å; F21-F35 HydrophobicContact CD1-CE1 3.83Å; F21-F35 HydrophobicContact CE1-CD1 4.12Å; F21-F35 HydrophobicContact CE1-CE1 4.47Å; I22-F35 WeakPolarHBondContact CA-O 3.35Å; A23-F35 HydrophobicContact CB-CB 4.29Å; A23-F35 PolarHBondContact N-O 3.42Å; A23-F35 PolarHBondContact O-N 2.93Å; F35-R42 HydrophobicContact CE2-CB 4.47Å; F35-R42 WeakPolarHBondContact CE2-O 3.24Å; F35-R43 WeakPolarHBondContact CD2-O 3.43Å; F35-M44 HydrophobicContact CB-CE 4.26Å; F35-M44 HydrophobicContact CB-SD 3.95Å; F35-V66 HydrophobicContact CB-CG1 4.12Å; F35-V66 HydrophobicContact CB-CG2 3.87Å; F35-V66 HydrophobicContact CD1-CG1 4.25Å; F35-V66 HydrophobicContact CD1-CG2 3.89Å; F35-V66 HydrophobicContact CD2-CG1 3.36Å; F35-V66 HydrophobicContact CD2-CG2 4.37Å; F35-V66 HydrophobicContact CE2-CG1 3.73Å; F35-V66 HydrophobicContact CG-CB 4.41Å; F35-V66 HydrophobicContact CG-CG1 3.66Å; F35-V66 HydrophobicContact CG-CG2 3.79Å; F35-V66 HydrophobicContact CZ-CG1 4.33Å; F35-K67 HydrophobicContact CE2-CG 4.23Å; F35-K67 HydrophobicContact CZ-CG 4.19Å |
| 36 | D | 98.5 | Very high | 97.2 | Very high | 19 Ų | 19 | 48.9 Ų | 48.9 | 10% | 0.102 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 122.9 | 173.7 | -163.3 | -31.2 | 0 | 0 | 0 | 109.2 | R20 R34 D38 A39 | R20-D36 IonicContact CZ-OD1 3.6Å; R20-D36 IonicContact CZ-OD2 3.64Å; R20-D36 IonicContact NE-OD1 3.56Å; R20-D36 PolarHBondContact NE-OD1 3.43Å; R20-D36 VanDerWaalsContact NE-OD1 3.17Å; R20-D36 IonicContact NE-OD2 3.36Å; R20-D36 IonicContact NH2-OD1 3.84Å; R20-D36 IonicContact NH2-OD2 3.16Å; R20-D36 PolarHBondContact NH2-OD2 3.42Å; R34-D36 IonicContact NH2-OD2 3.69Å; R34-D36 PolarHBondContact NH2-OD2 2.86Å; D36-D38 PolarHBondContact O-N 3.49Å; D36-D38 PolarHBondContact OD1-N 2.92Å; D36-D38 VanDerWaalsContact OD1-N 3.16Å; D36-A39 HydrophobicContact CB-CB 4.15Å; D36-A39 WeakPolarHBondContact O-CB 3.34Å; D36-A39 PolarHBondContact O-N 2.93Å; D36-A39 VanDerWaalsContact O-N 3.16Å |
| 37 | S | 97.8 | Very high | 97.2 | Very high | 17 Ų | 17 | 50.5 Ų | 50.5 | 12% | 0.119 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -24.9 | -179.1 | 62.9 | 0 | 0 | 0 | 0 | 113.2 | F21 R42 | F21-S37 PolarHBondContact N-OG 2.88Å; F21-S37 PolarHBondContact O-N 3.45Å; F21-S37 PolarHBondContact O-OG 2.99Å; S37-R42 PolarHBondContact O-NE 2.92Å; S37-R42 VanDerWaalsContact O-NE 3.16Å |
| 38 | D | 97.1 | Very high | 97.1 | Very high | 76 Ų | 76 | 50.7 Ų | 50.7 | 41% | 0.406 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -11.6 | -179.1 | -69 | 1.2 | 0 | 0 | 0 | 112.3 | R13 R20 D36 | R13-D38 IonicContact CZ-OD1 3.62Å; R13-D38 IonicContact CZ-OD2 2.82Å; R13-D38 IonicContact NH1-OD1 2.69Å; R13-D38 PolarHBondContact NH1-OD1 2.92Å; R13-D38 IonicContact NH1-OD2 3.55Å; R13-D38 PolarHBondContact NH1-OD2 3.28Å; R13-D38 IonicContact NH2-OD1 3.17Å; R13-D38 PolarHBondContact NH2-OD1 2.86Å; R13-D38 IonicContact NH2-OD2 2.71Å; R20-D38 VanDerWaalsContact CD-OD2 3.29Å; R20-D38 WeakPolarHBondContact CD-OD2 3.34Å; R20-D38 IonicContact NE-OD2 3.41Å; D36-D38 PolarHBondContact O-N 3.49Å; D36-D38 PolarHBondContact OD1-N 2.92Å; D36-D38 VanDerWaalsContact OD1-N 3.16Å |
| 39 | A | 96.8 | Very high | 97.1 | Very high | 29 Ų | 29 | 54.2 Ų | 54.2 | 24% | 0.24 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -66 | 149.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | D36 S41 R42 | D36-A39 HydrophobicContact CB-CB 4.15Å; D36-A39 WeakPolarHBondContact O-CB 3.34Å; D36-A39 PolarHBondContact O-N 2.93Å; D36-A39 VanDerWaalsContact O-N 3.16Å; A39-S41 VanDerWaalsContact C-N 3.35Å; A39-S41 PolarHBondContact O-N 3.42Å; A39-R42 WeakPolarHBondContact O-CG 3.31Å; A39-R42 PolarHBondContact O-N 3.5Å |
| 40 | A | 96.1 | Very high | 97.2 | Very high | 111 Ų | 111 | 51.7 Ų | 51.7 | 92% | 0.917 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -65 | -38.1 | 179 | 0 | 0 | 0 | 0 | 0 | 112.6 | R42 | A40-R42 VanDerWaalsContact C-N 3.35Š|
| 41 | S | 93.4 | Very high | 97.3 | Very high | 54 Ų | 54 | 50.6 Ų | 50.6 | 38% | 0.378 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -66.5 | -36 | 179.6 | 62.8 | 0 | 0 | 0 | 0 | 112.2 | A39 R43 E45 | A39-S41 VanDerWaalsContact C-N 3.35Å; A39-S41 PolarHBondContact O-N 3.42Å; S41-R43 WeakPolarHBondContact O-CG 3.07Å; S41-R43 PolarHBondContact O-N 3.4Å; S41-R43 VanDerWaalsContact O-N 3.17Å; S41-E45 PolarHBondContact OG-OE1 2.97Å |
| 42 | R | 96.1 | Very high | 97.2 | Very high | 149 Ų | 149 | 54.2 Ų | 54.2 | 56% | 0.562 | 28% | 0.281 | S | S | * | . | trans | 40.5 | 47.8 | -169 | -56.5 | -174.4 | -179.8 | 152.6 | 3.2 | 111.2 | F35 S37 A39 A40 K67 | F35-R42 HydrophobicContact CE2-CB 4.47Å; F35-R42 WeakPolarHBondContact CE2-O 3.24Å; S37-R42 PolarHBondContact O-NE 2.92Å; S37-R42 VanDerWaalsContact O-NE 3.16Å; A39-R42 WeakPolarHBondContact O-CG 3.31Å; A39-R42 PolarHBondContact O-N 3.5Å; A40-R42 VanDerWaalsContact C-N 3.35Å; R42-K67 WeakPolarHBondContact O-CE 2.95Å; R42-K67 PolarHBondContact O-NZ 3.21Å | ||
| 43 | R | 97.9 | Very high | 97.1 | Very high | 148 Ų | 148 | 60 Ų | 60 | 56% | 0.558 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -123.2 | 156.7 | 179.3 | -83 | 178 | 166.3 | 156.5 | -2 | 110 | F35 S41 E45 T63 | F35-R43 WeakPolarHBondContact CD2-O 3.43Å; S41-R43 WeakPolarHBondContact O-CG 3.07Å; S41-R43 PolarHBondContact O-N 3.4Å; S41-R43 VanDerWaalsContact O-N 3.17Å; R43-E45 PolarHBondContact O-N 3.02Å; R43-T63 HydrophobicContact CB-CG2 4.48Å; R43-T63 HydrophobicContact CG-CG2 4.05Å |
| 44 | M | 98.3 | Very high | 97 | Very high | 10 Ų | 10 | 60.5 Ų | 60.5 | 5% | 0.049 | 31% | 0.31 | C | S | . | . | trans | -68.6 | 128.4 | 166.2 | -171.3 | 64.6 | 80.2 | 0 | 0 | 107.8 | V33 R34 F35 W59 E62 T63 V66 | V33-M44 HydrophobicContact CB-CG 4.11Å; V33-M44 HydrophobicContact CB-SD 3.72Å; V33-M44 HydrophobicContact CG1-CG 4.12Å; V33-M44 HydrophobicContact CG1-SD 4.39Å; V33-M44 HydrophobicContact CG2-SD 4.16Å; R34-M44 VanDerWaalsContact C-SD 3.58Å; F35-M44 HydrophobicContact CB-CE 4.26Å; F35-M44 HydrophobicContact CB-SD 3.95Å; M44-W59 HydrophobicContact CB-CE3 4.31Å; M44-W59 HydrophobicContact CG-CE3 4.25Å; M44-W59 HydrophobicContact CG-CZ3 4.04Å; M44-E62 HydrophobicContact CB-CB 4.13Å; M44-E62 HydrophobicContact CE-CB 4.46Å; M44-E62 HydrophobicContact CG-CB 4.09Å; M44-T63 PolarHBondContact N-OG1 3.48Å; M44-V66 HydrophobicContact CE-CB 3.83Å; M44-V66 HydrophobicContact CE-CG1 4.02Å; M44-V66 HydrophobicContact CE-CG2 3.98Å | ||
| 45 | E | 98.1 | Very high | 97 | Very high | 57 Ų | 57 | 59 Ų | 59 | 27% | 0.266 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 141.3 | -175.3 | -63 | 175.9 | 175.8 | 0 | 0 | 110.6 | V33 R34 S41 R43 R47 | V33-E45 WeakPolarHBondContact CA-O 3.42Å; R34-E45 PolarHBondContact N-O 2.92Å; R34-E45 PolarHBondContact O-N 3.3Å; S41-E45 PolarHBondContact OG-OE1 2.97Å; R43-E45 PolarHBondContact O-N 3.02Å; E45-R47 IonicContact OE2-CZ 3.57Å; E45-R47 IonicContact OE2-NH1 3.45Å; E45-R47 PolarHBondContact OE2-NH1 2.96Å; E45-R47 VanDerWaalsContact OE2-NH1 3.16Å; E45-R47 IonicContact OE2-NH2 3.69Å; E45-R47 PolarHBondContact OE2-NH2 3.39Å |
| 46 | P | 98.1 | Very high | 96.9 | Very high | 43 Ų | 43 | 63.6 Ų | 63.6 | 28% | 0.279 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 148.1 | 174.8 | 28.6 | -34.5 | 0 | 0 | 0 | 111.1 | F32 I51 E52 W59 | F32-P46 CarbonylContact O-C 3.57Å; P46-I51 HydrophobicContact CB-CG2 3.63Å; P46-E52 HydrophobicContact CB-CG 3.75Å; P46-E52 HydrophobicContact CG-CG 3.97Å; P46-W59 HydrophobicContact CB-CH2 3.63Å; P46-W59 HydrophobicContact CB-CZ2 3.97Å; P46-W59 HydrophobicContact CB-CZ3 4.5Å; P46-W59 HydrophobicContact CG-CH2 4.26Å; P46-W59 HydrophobicContact CG-CZ2 4.41Å |
| 47 | R | 97.3 | Very high | 96.9 | Very high | 103 Ų | 103 | 71.1 Ų | 71.1 | 39% | 0.389 | 38% | 0.381 | S | S | . | . | trans | -130 | 2.2 | 173.6 | -65.7 | -63.6 | -178.6 | -92.6 | 2.9 | 113.3 | Q31 F32 R34 E45 | Q31-R47 HydrophobicContact CB-CB 4.48Å; Q31-R47 HydrophobicContact CG-CB 4.1Å; Q31-R47 HydrophobicContact CG-CG 4.36Å; Q31-R47 CarbonylContact O-C 3.52Å; F32-R47 PolarHBondContact O-N 3.37Å; R34-R47 HydrophobicContact CB-CG 3.83Å; E45-R47 IonicContact OE2-CZ 3.57Å; E45-R47 IonicContact OE2-NH1 3.45Å; E45-R47 PolarHBondContact OE2-NH1 2.96Å; E45-R47 VanDerWaalsContact OE2-NH1 3.16Å; E45-R47 IonicContact OE2-NH2 3.69Å; E45-R47 PolarHBondContact OE2-NH2 3.39Å | ||
| 48 | A | 96 | Very high | 96.9 | Very high | 5 Ų | 5 | 71.1 Ų | 71.1 | 4% | 0.041 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -139.7 | 144.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | F32 W50 I51 | F32-A48 HydrophobicContact CB-CB 4.22Å; A48-W50 VanDerWaalsContact C-N 3.29Å; A48-W50 HydrophobicContact CB-CD2 4.16Å; A48-W50 HydrophobicContact CB-CG 4.35Å; A48-W50 HydrophobicContact CB-CZ2 3.95Å; A48-W50 PolarHBondContact O-N 3.22Å; A48-I51 WeakPolarHBondContact O-CG2 3.47Å; A48-I51 PolarHBondContact O-N 3.49Å |
| 49 | P | 96.1 | Very high | 96.9 | Very high | 102 Ų | 102 | 69.4 Ų | 69.4 | 66% | 0.662 | 37% | 0.367 | S | S | * | . | G | 310 helix | trans | -58.7 | -38.2 | -177.3 | -26.5 | 34.9 | 0 | 0 | 0 | 113.8 | I51 E52 | P49-I51 PolarHBondContact O-N 3.11Å; P49-E52 WeakPolarHBondContact O-CB 3.31Å; P49-E52 PolarHBondContact O-N 2.85Å; P49-E52 VanDerWaalsContact O-N 3.09Å |
| 50 | W | 96.1 | Very high | 97 | Very high | 15 Ų | 15 | 71.9 Ų | 71.9 | 6% | 0.057 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -69.1 | -14.3 | -176.2 | 54 | -105.5 | 0 | 0 | 0 | 114.5 | V27 F32 A48 Q53 Y170 G174 L178 | V27-W50 HydrophobicContact CB-CH2 4.46Å; V27-W50 HydrophobicContact CG2-CH2 3.97Å; F32-W50 HydrophobicContact CB-CH2 3.12Å; F32-W50 HydrophobicContact CB-CZ2 3.35Å; F32-W50 HydrophobicContact CB-CZ3 3.97Å; F32-W50 HydrophobicContact CD1-CH2 4.12Å; F32-W50 AromaticContact CD2-CH2 3.88Å; F32-W50 HydrophobicContact CD2-CH2 3.88Å; F32-W50 HydrophobicContact CD2-CZ3 4.18Å; F32-W50 AromaticContact CG-CH2 3.48Å; F32-W50 HydrophobicContact CG-CH2 3.48Å; F32-W50 VanDerWaalsContact CG-CH2 3.48Å; F32-W50 HydrophobicContact CG-CZ2 4.16Å; F32-W50 HydrophobicContact CG-CZ3 4.23Å; A48-W50 VanDerWaalsContact C-N 3.29Å; A48-W50 HydrophobicContact CB-CD2 4.16Å; A48-W50 HydrophobicContact CB-CG 4.35Å; A48-W50 HydrophobicContact CB-CZ2 3.95Å; A48-W50 PolarHBondContact O-N 3.22Å; W50-Q53 WeakPolarHBondContact O-CG 3.42Å; W50-Y170 HydrophobicContact CH2-CG 4.37Å; W50-Y170 AromaticContact CZ3-CD1 3.99Å; W50-Y170 HydrophobicContact CZ3-CD1 3.99Å; W50-Y170 AromaticContact CZ3-CG 3.83Å; W50-Y170 HydrophobicContact CZ3-CG 3.83Å; W50-G174 VanDerWaalsContact CG-CA 3.49Å; W50-L178 HydrophobicContact CD2-CD1 4.39Å; W50-L178 HydrophobicContact CH2-CD1 4.24Å; W50-L178 HydrophobicContact CZ2-CD1 3.79Å; W50-L178 HydrophobicContact CZ2-CD2 4.02Å; W50-L178 HydrophobicContact CZ2-CG 4.29Å |
| 51 | I | 97.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -89 | -19.8 | 173.6 | -163.5 | 70.8 | 0 | 0 | 0 | 111.8 | F32 V33 P46 A48 P49 Q53 E54 Y58 W59 Y170 | F32-I51 HydrophobicContact CD2-CB 4.49Å; F32-I51 HydrophobicContact CD2-CD1 4.04Å; F32-I51 HydrophobicContact CD2-CG1 4.05Å; F32-I51 HydrophobicContact CE2-CD1 4.42Å; F32-I51 VanDerWaalsContact O-CG2 3.29Å; F32-I51 WeakPolarHBondContact O-CG2 3.06Å; V33-I51 HydrophobicContact CG1-CG1 4.48Å; P46-I51 HydrophobicContact CB-CG2 3.63Å; A48-I51 WeakPolarHBondContact O-CG2 3.47Å; A48-I51 PolarHBondContact O-N 3.49Å; P49-I51 PolarHBondContact O-N 3.11Å; I51-Q53 PolarHBondContact O-N 2.7Å; I51-Q53 VanDerWaalsContact O-N 3.15Å; I51-E54 HydrophobicContact CD1-CG 3.69Å; I51-E54 HydrophobicContact CG1-CG 4.25Å; I51-E54 WeakPolarHBondContact O-CB 3.47Å; I51-E54 WeakPolarHBondContact O-CG 3.35Å; I51-E54 PolarHBondContact O-N 2.97Å; I51-Y58 HydrophobicContact CD1-CE1 4.25Å; I51-Y58 HydrophobicContact CG1-CE1 4.24Å; I51-W59 HydrophobicContact CB-CH2 4.46Å; I51-W59 HydrophobicContact CG1-CH2 3.77Å; I51-W59 HydrophobicContact CG1-CZ2 4.01Å; I51-W59 HydrophobicContact CG2-CH2 3.99Å; I51-W59 HydrophobicContact CG2-CZ2 4.35Å; I51-W59 WeakPolarHBondContact O-CZ2 3.34Å; I51-Y170 HydrophobicContact CD1-CD1 3.74Å; I51-Y170 HydrophobicContact CD1-CE1 3.36Å |
| 52 | E | 96.6 | Very high | 97.3 | Very high | 125 Ų | 125 | 65.3 Ų | 65.3 | 58% | 0.584 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -22.5 | -176.6 | -63.6 | -177.7 | -176.2 | 0 | 0 | 113.2 | P46 P49 E54 | P46-E52 HydrophobicContact CB-CG 3.75Å; P46-E52 HydrophobicContact CG-CG 3.97Å; P49-E52 WeakPolarHBondContact O-CB 3.31Å; P49-E52 PolarHBondContact O-N 2.85Å; P49-E52 VanDerWaalsContact O-N 3.09Å; E52-E54 PolarHBondContact O-N 2.72Å |
| 53 | Q | 95.4 | Very high | 97.4 | Very high | 122 Ų | 122 | 58.8 Ų | 58.8 | 57% | 0.57 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -12.7 | 175.4 | 69.3 | -177.9 | 17.1 | 0 | 0 | 114.1 | W50 I51 N173 | W50-Q53 WeakPolarHBondContact O-CG 3.42Å; I51-Q53 PolarHBondContact O-N 2.7Å; I51-Q53 VanDerWaalsContact O-N 3.15Å; Q53-N173 PolarHBondContact NE2-ND2 3.2Å; Q53-N173 PolarHBondContact NE2-OD1 3.18Å |
| 54 | E | 97.2 | Very high | 97.4 | Very high | 12 Ų | 12 | 60.1 Ų | 60.1 | 6% | 0.056 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -65.3 | 138.1 | 175 | -67.3 | -62.7 | 165 | 0 | 0 | 111 | I51 E52 Y58 W59 R169 N173 | I51-E54 HydrophobicContact CD1-CG 3.69Å; I51-E54 HydrophobicContact CG1-CG 4.25Å; I51-E54 WeakPolarHBondContact O-CB 3.47Å; I51-E54 WeakPolarHBondContact O-CG 3.35Å; I51-E54 PolarHBondContact O-N 2.97Å; E52-E54 PolarHBondContact O-N 2.72Å; E54-Y58 HydrophobicContact CB-CD1 3.56Å; E54-Y58 HydrophobicContact CB-CD2 4.43Å; E54-Y58 HydrophobicContact CB-CE1 4.19Å; E54-Y58 HydrophobicContact CB-CG 3.71Å; E54-Y58 HydrophobicContact CG-CD1 4.05Å; E54-Y58 HydrophobicContact CG-CD2 4.33Å; E54-Y58 HydrophobicContact CG-CE1 4.26Å; E54-Y58 HydrophobicContact CG-CG 4.09Å; E54-W59 PolarHBondContact O-NE1 3.38Å; E54-R169 IonicContact OE1-CZ 3.86Å; E54-R169 IonicContact OE1-NE 2.7Å; E54-R169 PolarHBondContact OE1-NE 3.17Å; E54-R169 IonicContact OE1-NH2 3.04Å; E54-R169 PolarHBondContact OE1-NH2 3.22Å; E54-R169 IonicContact OE2-CZ 3.44Å; E54-R169 IonicContact OE2-NE 2.76Å; E54-R169 PolarHBondContact OE2-NE 3.06Å; E54-R169 IonicContact OE2-NH2 3.26Å; E54-R169 PolarHBondContact OE2-NH2 2.89Å; E54-N173 PolarHBondContact OE1-ND2 3.04Å; E54-N173 VanDerWaalsContact OE1-ND2 3.13Å |
| 55 | G | 96.8 | Very high | 97.4 | Very high | 37 Ų | 37 | 64.1 Ų | 64.1 | 38% | 0.381 | 32% | 0.322 | S | S | . | . | trans | -72.4 | 169.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | E57 Y58 W59 | G55-E57 PolarHBondContact O-N 2.93Å; G55-E57 VanDerWaalsContact O-N 3.15Å; G55-Y58 WeakPolarHBondContact O-CB 3.39Å; G55-Y58 PolarHBondContact O-N 3.23Å; G55-W59 PolarHBondContact O-N 3.04Å | ||
| 56 | P | 97.3 | Very high | 97.4 | Very high | 102 Ų | 102 | 61.5 Ų | 61.5 | 66% | 0.662 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -55.1 | -35.5 | -179.3 | -26.4 | 34.7 | 0 | 0 | 0 | 114.2 | Y58 W59 D60 | P56-Y58 VanDerWaalsContact C-N 3.28Å; P56-Y58 PolarHBondContact O-N 3.44Å; P56-W59 PolarHBondContact O-N 2.9Å; P56-D60 WeakPolarHBondContact O-CB 3.44Å; P56-D60 PolarHBondContact O-N 2.77Å |
| 57 | E | 97.8 | Very high | 97.4 | Very high | 176 Ų | 176 | 63.7 Ų | 63.7 | 82% | 0.822 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -61 | -36.4 | 178.7 | -64.1 | -174.9 | 174.7 | 0 | 0 | 112.8 | G55 G61 | G55-E57 PolarHBondContact O-N 2.93Å; G55-E57 VanDerWaalsContact O-N 3.15Å; E57-G61 PolarHBondContact O-N 3.01Å |
| 58 | Y | 97.8 | Very high | 97.4 | Very high | 18 Ų | 18 | 61.4 Ų | 61.4 | 7% | 0.071 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.2 | -53.4 | 174.2 | 172.4 | -92.5 | 0 | 0 | 0 | 110.1 | I51 E54 G55 P56 D60 G61 E62 W166 Y170 | I51-Y58 HydrophobicContact CD1-CE1 4.25Å; I51-Y58 HydrophobicContact CG1-CE1 4.24Å; E54-Y58 HydrophobicContact CB-CD1 3.56Å; E54-Y58 HydrophobicContact CB-CD2 4.43Å; E54-Y58 HydrophobicContact CB-CE1 4.19Å; E54-Y58 HydrophobicContact CB-CG 3.71Å; E54-Y58 HydrophobicContact CG-CD1 4.05Å; E54-Y58 HydrophobicContact CG-CD2 4.33Å; E54-Y58 HydrophobicContact CG-CE1 4.26Å; E54-Y58 HydrophobicContact CG-CG 4.09Å; G55-Y58 WeakPolarHBondContact O-CB 3.39Å; G55-Y58 PolarHBondContact O-N 3.23Å; P56-Y58 VanDerWaalsContact C-N 3.28Å; P56-Y58 PolarHBondContact O-N 3.44Å; Y58-D60 PolarHBondContact O-N 2.94Å; Y58-G61 PolarHBondContact O-N 2.88Å; Y58-G61 VanDerWaalsContact O-N 3.16Å; Y58-E62 HydrophobicContact CD1-CG 4.33Å; Y58-E62 HydrophobicContact CD2-CG 4.28Å; Y58-E62 HydrophobicContact CE1-CG 3.94Å; Y58-E62 HydrophobicContact CE2-CG 3.9Å; Y58-E62 HydrophobicContact CG-CG 4.49Å; Y58-E62 WeakPolarHBondContact O-CG 3.32Å; Y58-E62 PolarHBondContact O-N 3.03Å; Y58-W166 AromaticContact CD2-CH2 3.56Å; Y58-W166 HydrophobicContact CD2-CH2 3.56Å; Y58-W166 HydrophobicContact CD2-CZ2 4.31Å; Y58-W166 AromaticContact CD2-CZ3 3.84Å; Y58-W166 HydrophobicContact CD2-CZ3 3.84Å; Y58-W166 HydrophobicContact CE2-CE3 4.29Å; Y58-W166 AromaticContact CE2-CH2 3.81Å; Y58-W166 HydrophobicContact CE2-CH2 3.81Å; Y58-W166 HydrophobicContact CE2-CZ2 4.44Å; Y58-W166 AromaticContact CE2-CZ3 3.71Å; Y58-W166 HydrophobicContact CE2-CZ3 3.71Å; Y58-Y170 HydrophobicContact CE2-CE1 4.41Å; Y58-Y170 VanDerWaalsContact CE2-OH 3.22Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.48Å; Y58-Y170 PolarHBondContact OH-OH 3.39Å |
| 59 | W | 98.4 | Very high | 97.5 | Very high | 40 Ų | 40 | 63.3 Ų | 63.3 | 15% | 0.152 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.1 | -40 | -176.6 | -65.8 | 112.4 | 0 | 0 | 0 | 113.1 | V33 M44 P46 I51 E54 G55 P56 T63 | V33-W59 HydrophobicContact CG1-CH2 4.13Å; V33-W59 HydrophobicContact CG1-CZ3 3.93Å; M44-W59 HydrophobicContact CB-CE3 4.31Å; M44-W59 HydrophobicContact CG-CE3 4.25Å; M44-W59 HydrophobicContact CG-CZ3 4.04Å; P46-W59 HydrophobicContact CB-CH2 3.63Å; P46-W59 HydrophobicContact CB-CZ2 3.97Å; P46-W59 HydrophobicContact CB-CZ3 4.5Å; P46-W59 HydrophobicContact CG-CH2 4.26Å; P46-W59 HydrophobicContact CG-CZ2 4.41Å; I51-W59 HydrophobicContact CB-CH2 4.46Å; I51-W59 HydrophobicContact CG1-CH2 3.77Å; I51-W59 HydrophobicContact CG1-CZ2 4.01Å; I51-W59 HydrophobicContact CG2-CH2 3.99Å; I51-W59 HydrophobicContact CG2-CZ2 4.35Å; I51-W59 WeakPolarHBondContact O-CZ2 3.34Å; E54-W59 PolarHBondContact O-NE1 3.38Å; G55-W59 PolarHBondContact O-N 3.04Å; P56-W59 PolarHBondContact O-N 2.9Å; W59-T63 WeakPolarHBondContact O-CB 3.19Å; W59-T63 PolarHBondContact O-N 2.94Å; W59-T63 PolarHBondContact O-OG1 3.23Å |
| 60 | D | 98.2 | Very high | 97.5 | Very high | 80 Ų | 80 | 59.3 Ų | 59.3 | 43% | 0.428 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -67.8 | -39.5 | 174.5 | -77.8 | -21.6 | 0 | 0 | 0 | 111.5 | P56 Y58 R64 | P56-D60 WeakPolarHBondContact O-CB 3.44Å; P56-D60 PolarHBondContact O-N 2.77Å; Y58-D60 PolarHBondContact O-N 2.94Å; D60-R64 WeakPolarHBondContact O-CB 3.49Å; D60-R64 PolarHBondContact O-N 2.94Å |
| 61 | G | 98.1 | Very high | 97.6 | Very high | 13 Ų | 13 | 63.2 Ų | 63.2 | 13% | 0.134 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.9 | -52.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | E57 Y58 R64 K65 | E57-G61 PolarHBondContact O-N 3.01Å; Y58-G61 PolarHBondContact O-N 2.88Å; Y58-G61 VanDerWaalsContact O-N 3.16Å; G61-R64 PolarHBondContact O-N 2.79Å; G61-K65 WeakPolarHBondContact O-CG 3.27Å; G61-K65 PolarHBondContact O-N 2.96Å |
| 62 | E | 98.1 | Very high | 97.6 | Very high | 15 Ų | 15 | 66.6 Ų | 66.6 | 7% | 0.07 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.8 | -40.5 | 178.6 | -68.4 | -49.4 | 115.1 | 0 | 0 | 111.7 | M44 Y58 R64 K65 V66 | M44-E62 HydrophobicContact CB-CB 4.13Å; M44-E62 HydrophobicContact CE-CB 4.46Å; M44-E62 HydrophobicContact CG-CB 4.09Å; Y58-E62 HydrophobicContact CD1-CG 4.33Å; Y58-E62 HydrophobicContact CD2-CG 4.28Å; Y58-E62 HydrophobicContact CE1-CG 3.94Å; Y58-E62 HydrophobicContact CE2-CG 3.9Å; Y58-E62 HydrophobicContact CG-CG 4.49Å; Y58-E62 WeakPolarHBondContact O-CG 3.32Å; Y58-E62 PolarHBondContact O-N 3.03Å; E62-R64 VanDerWaalsContact C-N 3.33Å; E62-R64 PolarHBondContact O-N 2.96Å; E62-K65 PolarHBondContact O-N 3.33Å; E62-K65 IonicContact OE1-NZ 3.63Å; E62-K65 PolarHBondContact OE1-NZ 3.11Å; E62-V66 WeakPolarHBondContact O-CB 3.39Å; E62-V66 WeakPolarHBondContact O-CG1 3.49Å; E62-V66 PolarHBondContact O-N 2.86Å |
| 63 | T | 98.5 | Very high | 97.7 | Very high | 11 Ų | 11 | 60.6 Ų | 60.6 | 7% | 0.067 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60 | -42.8 | 173.7 | -65.1 | 0 | 0 | 0 | 0 | 111.6 | R43 M44 W59 V66 K67 | R43-T63 HydrophobicContact CB-CG2 4.48Å; R43-T63 HydrophobicContact CG-CG2 4.05Å; M44-T63 PolarHBondContact N-OG1 3.48Å; W59-T63 WeakPolarHBondContact O-CB 3.19Å; W59-T63 PolarHBondContact O-N 2.94Å; W59-T63 PolarHBondContact O-OG1 3.23Å; T63-V66 WeakPolarHBondContact O-CG1 3.36Å; T63-K67 HydrophobicContact CG2-CD 4.11Å; T63-K67 WeakPolarHBondContact O-CB 3.47Å; T63-K67 VanDerWaalsContact O-CG 3.29Å; T63-K67 WeakPolarHBondContact O-CG 3.24Å; T63-K67 PolarHBondContact O-N 3.3Å; T63-K67 VanDerWaalsContact O-N 3.09Å |
| 64 | R | 98.3 | Very high | 97.7 | Very high | 176 Ų | 176 | 59.5 Ų | 59.5 | 66% | 0.664 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -65.4 | -45.9 | 177.8 | -170 | -174.8 | -58.8 | 112.1 | 2.5 | 111.1 | D60 G61 E62 K67 A68 | D60-R64 WeakPolarHBondContact O-CB 3.49Å; D60-R64 PolarHBondContact O-N 2.94Å; G61-R64 PolarHBondContact O-N 2.79Å; E62-R64 VanDerWaalsContact C-N 3.33Å; E62-R64 PolarHBondContact O-N 2.96Å; R64-K67 PolarHBondContact O-N 2.89Å; R64-A68 PolarHBondContact O-N 2.71Å |
| 65 | K | 97.4 | Very high | 97.7 | Very high | 95 Ų | 95 | 63.1 Ų | 63.1 | 41% | 0.413 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.1 | -46.6 | 178.9 | -71.1 | 171.7 | -165.5 | 164.3 | 0 | 111.7 | G61 E62 A68 H69 | G61-K65 WeakPolarHBondContact O-CG 3.27Å; G61-K65 PolarHBondContact O-N 2.96Å; E62-K65 PolarHBondContact O-N 3.33Å; E62-K65 IonicContact OE1-NZ 3.63Å; E62-K65 PolarHBondContact OE1-NZ 3.11Å; K65-A68 PolarHBondContact O-N 3.01Å; K65-H69 PolarHBondContact O-N 3.39Å; K65-H69 PolarHBondContact O-ND1 3.28Å |
| 66 | V | 97.9 | Very high | 97.8 | Very high | 1 Ų | 1 | 63.7 Ų | 63.7 | 1% | 0.006 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -69.5 | -34.4 | -177.7 | 76.1 | 0 | 0 | 0 | 0 | 111.8 | F21 A23 F35 M44 E62 T63 H69 S70 | F21-V66 HydrophobicContact CD1-CG2 4.47Å; F21-V66 HydrophobicContact CE1-CG2 3.56Å; F21-V66 HydrophobicContact CZ-CG2 4.29Å; A23-V66 HydrophobicContact CB-CG2 3.69Å; F35-V66 HydrophobicContact CB-CG1 4.12Å; F35-V66 HydrophobicContact CB-CG2 3.87Å; F35-V66 HydrophobicContact CD1-CG1 4.25Å; F35-V66 HydrophobicContact CD1-CG2 3.89Å; F35-V66 HydrophobicContact CD2-CG1 3.36Å; F35-V66 HydrophobicContact CD2-CG2 4.37Å; F35-V66 HydrophobicContact CE2-CG1 3.73Å; F35-V66 HydrophobicContact CG-CB 4.41Å; F35-V66 HydrophobicContact CG-CG1 3.66Å; F35-V66 HydrophobicContact CG-CG2 3.79Å; F35-V66 HydrophobicContact CZ-CG1 4.33Å; M44-V66 HydrophobicContact CE-CB 3.83Å; M44-V66 HydrophobicContact CE-CG1 4.02Å; M44-V66 HydrophobicContact CE-CG2 3.98Å; E62-V66 WeakPolarHBondContact O-CB 3.39Å; E62-V66 WeakPolarHBondContact O-CG1 3.49Å; E62-V66 PolarHBondContact O-N 2.86Å; T63-V66 WeakPolarHBondContact O-CG1 3.36Å; V66-H69 PolarHBondContact O-N 2.62Å; V66-S70 WeakPolarHBondContact O-CB 3.03Å; V66-S70 PolarHBondContact O-N 3.48Å |
| 67 | K | 98.1 | Very high | 97.8 | Very high | 90 Ų | 90 | 59.2 Ų | 59.2 | 39% | 0.391 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.9 | -41.8 | 171.5 | -77.1 | 179.4 | 178.7 | 174.8 | 0 | 112.4 | F35 R42 T63 R64 H69 S70 Q71 | F35-K67 HydrophobicContact CE2-CG 4.23Å; F35-K67 HydrophobicContact CZ-CG 4.19Å; R42-K67 WeakPolarHBondContact O-CE 2.95Å; R42-K67 PolarHBondContact O-NZ 3.21Å; T63-K67 HydrophobicContact CG2-CD 4.11Å; T63-K67 WeakPolarHBondContact O-CB 3.47Å; T63-K67 VanDerWaalsContact O-CG 3.29Å; T63-K67 WeakPolarHBondContact O-CG 3.24Å; T63-K67 PolarHBondContact O-N 3.3Å; T63-K67 VanDerWaalsContact O-N 3.09Å; R64-K67 PolarHBondContact O-N 2.89Å; K67-H69 VanDerWaalsContact C-N 3.34Å; K67-S70 WeakPolarHBondContact O-CB 3.36Å; K67-S70 PolarHBondContact O-N 2.8Å; K67-Q71 WeakPolarHBondContact O-CG 3.26Å; K67-Q71 PolarHBondContact O-N 2.94Å; K67-Q71 VanDerWaalsContact O-N 3.12Å |
| 68 | A | 98 | Very high | 97.7 | Very high | 54 Ų | 54 | 52.6 Ų | 52.6 | 45% | 0.446 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -60.6 | -45.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111 | R64 K65 S70 Q71 T72 | R64-A68 PolarHBondContact O-N 2.71Å; K65-A68 PolarHBondContact O-N 3.01Å; A68-S70 VanDerWaalsContact C-N 3.34Å; A68-S70 PolarHBondContact O-N 2.81Å; A68-Q71 PolarHBondContact O-N 2.86Å; A68-Q71 VanDerWaalsContact O-N 3.15Å; A68-T72 PolarHBondContact O-N 3Å; A68-T72 PolarHBondContact O-OG1 2.83Å |
| 69 | H | 97.2 | Very high | 97.7 | Very high | 45 Ų | 45 | 54.2 Ų | 54.2 | 21% | 0.208 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.2 | -39.2 | 175.3 | -80.2 | 85.8 | 0 | 0 | 0 | 113.4 | Y8 F21 K65 V66 K67 Q71 T72 H73 R96 | Y8-H69 HydrophobicContact CD2-CB 4.34Å; Y8-H69 HydrophobicContact CE2-CB 4.03Å; Y8-H69 AromaticContact CE2-CD2 3.68Å; Y8-H69 AromaticContact CE2-CG 3.78Å; F21-H69 HydrophobicContact CZ-CB 4.18Å; K65-H69 PolarHBondContact O-N 3.39Å; K65-H69 PolarHBondContact O-ND1 3.28Å; V66-H69 PolarHBondContact O-N 2.62Å; K67-H69 VanDerWaalsContact C-N 3.34Å; H69-Q71 VanDerWaalsContact C-N 3.3Å; H69-Q71 PolarHBondContact O-N 3.14Å; H69-T72 PolarHBondContact O-N 2.97Å; H69-H73 PolarHBondContact O-CD2 2.78Å; H69-H73 PolarHBondContact O-N 2.91Å; H69-R96 PolarHBondContact CD2-NH1 2.69Å; H69-R96 PolarHBondContact NE2-NH1 3.36Å |
| 70 | S | 97.6 | Very high | 97.7 | Very high | 19 Ų | 19 | 52.6 Ų | 52.6 | 13% | 0.133 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.5 | -41.2 | 174.2 | 174.2 | 0 | 0 | 0 | 0 | 112 | F21 V66 K67 A68 R74 | F21-S70 WeakPolarHBondContact CB-OG 3.29Å; V66-S70 WeakPolarHBondContact O-CB 3.03Å; V66-S70 PolarHBondContact O-N 3.48Å; K67-S70 WeakPolarHBondContact O-CB 3.36Å; K67-S70 PolarHBondContact O-N 2.8Å; A68-S70 VanDerWaalsContact C-N 3.34Å; A68-S70 PolarHBondContact O-N 2.81Å; S70-R74 PolarHBondContact O-N 2.9Å; S70-R74 VanDerWaalsContact O-N 3.11Å |
| 71 | Q | 97.5 | Very high | 97.6 | Very high | 96 Ų | 96 | 52.3 Ų | 52.3 | 45% | 0.449 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -68.8 | -41.3 | 175.1 | -64.6 | -56.5 | -46.3 | 0 | 0 | 112.4 | K67 A68 H69 R74 V75 | K67-Q71 WeakPolarHBondContact O-CG 3.26Å; K67-Q71 PolarHBondContact O-N 2.94Å; K67-Q71 VanDerWaalsContact O-N 3.12Å; A68-Q71 PolarHBondContact O-N 2.86Å; A68-Q71 VanDerWaalsContact O-N 3.15Å; H69-Q71 VanDerWaalsContact C-N 3.3Å; H69-Q71 PolarHBondContact O-N 3.14Å; Q71-R74 WeakPolarHBondContact O-CB 3.32Å; Q71-R74 PolarHBondContact O-N 3.29Å; Q71-V75 PolarHBondContact O-N 3.11Å |
| 72 | T | 97.5 | Very high | 97.5 | Very high | 71 Ų | 71 | 53.7 Ų | 53.7 | 44% | 0.436 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59 | -50.4 | 174.4 | -59.1 | 0 | 0 | 0 | 0 | 111 | A68 H69 R74 V75 D76 | A68-T72 PolarHBondContact O-N 3Å; A68-T72 PolarHBondContact O-OG1 2.83Å; H69-T72 PolarHBondContact O-N 2.97Å; T72-R74 PolarHBondContact O-N 2.94Å; T72-V75 PolarHBondContact O-N 3.21Å; T72-D76 WeakPolarHBondContact CG2-OD2 3.46Å; T72-D76 VanDerWaalsContact O-CG 3.25Å; T72-D76 PolarHBondContact O-N 3.21Å |
| 73 | H | 97.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.9 | -32.8 | 178.5 | -82.7 | -139.3 | 0 | 0 | 0 | 112.8 | S10 F21 H69 D76 L77 L94 Y115 | S10-H73 WeakPolarHBondContact OG-CB 3.29Å; S10-H73 PolarHBondContact OG-ND1 2.98Å; F21-H73 HydrophobicContact CD2-CB 4.17Å; F21-H73 HydrophobicContact CE2-CB 4.21Å; F21-H73 AromaticContact CE2-CG 3.78Å; F21-H73 AromaticContact CE2-ND1 3.67Å; H69-H73 PolarHBondContact O-CD2 2.78Å; H69-H73 PolarHBondContact O-N 2.91Å; H73-D76 PolarHBondContact O-N 2.69Å; H73-L77 WeakPolarHBondContact O-CB 3.18Å; H73-L77 VanDerWaalsContact O-CG 3.3Å; H73-L77 WeakPolarHBondContact O-CG 3.38Å; H73-L77 PolarHBondContact O-N 3.03Å; H73-L94 HydrophobicContact CB-CD2 4.24Å; H73-Y115 AromaticContact NE2-CE1 3.95Å |
| 74 | R | 97.1 | Very high | 97.4 | Very high | 99 Ų | 99 | 58.7 Ų | 58.7 | 37% | 0.374 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.1 | -47.5 | 173.7 | 175.7 | 179.4 | 75.5 | 157.7 | 4.6 | 111.4 | E18 P19 S70 Q71 T72 D76 L77 G78 | E18-R74 IonicContact OE1-NH1 3.66Å; E18-R74 PolarHBondContact OE1-NH1 3.39Å; E18-R74 WeakPolarHBondContact OE2-CD 3.45Å; E18-R74 IonicContact OE2-CZ 3.82Å; E18-R74 IonicContact OE2-NE 2.72Å; E18-R74 IonicContact OE2-NH1 3.7Å; E18-R74 PolarHBondContact OE2-NH1 2.94Å; P19-R74 HydrophobicContact CG-CB 4.48Å; P19-R74 HydrophobicContact CG-CG 4.17Å; S70-R74 PolarHBondContact O-N 2.9Å; S70-R74 VanDerWaalsContact O-N 3.11Å; Q71-R74 WeakPolarHBondContact O-CB 3.32Å; Q71-R74 PolarHBondContact O-N 3.29Å; T72-R74 PolarHBondContact O-N 2.94Å; R74-D76 VanDerWaalsContact C-N 3.33Å; R74-L77 PolarHBondContact O-N 3.3Å; R74-G78 PolarHBondContact O-N 2.88Å |
| 75 | V | 97.3 | Very high | 97.3 | Very high | 88 Ų | 88 | 57.6 Ų | 57.6 | 53% | 0.533 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65.6 | -40.7 | 178 | 176.8 | 0 | 0 | 0 | 0 | 110.5 | Q71 T72 G78 T79 | Q71-V75 PolarHBondContact O-N 3.11Å; T72-V75 PolarHBondContact O-N 3.21Å; V75-G78 PolarHBondContact O-N 2.86Å; V75-T79 PolarHBondContact O-N 3.05Å; V75-T79 PolarHBondContact O-OG1 2.88Å |
| 76 | D | 97.8 | Very high | 97.2 | Very high | 48 Ų | 48 | 56 Ų | 56 | 26% | 0.257 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.2 | -41 | 178.8 | -66.3 | -21.3 | 0 | 0 | 0 | 111.8 | T72 H73 R74 G78 T79 L80 L94 | T72-D76 WeakPolarHBondContact CG2-OD2 3.46Å; T72-D76 VanDerWaalsContact O-CG 3.25Å; T72-D76 PolarHBondContact O-N 3.21Å; H73-D76 PolarHBondContact O-N 2.69Å; R74-D76 VanDerWaalsContact C-N 3.33Å; D76-G78 VanDerWaalsContact C-N 3.29Å; D76-G78 PolarHBondContact O-N 2.9Å; D76-T79 PolarHBondContact O-N 3.3Å; D76-T79 VanDerWaalsContact O-N 3.13Å; D76-L80 WeakPolarHBondContact O-CB 3.23Å; D76-L80 VanDerWaalsContact O-CG 3.25Å; D76-L80 WeakPolarHBondContact O-CG 3.27Å; D76-L80 PolarHBondContact O-N 3.42Å; D76-L94 HydrophobicContact CB-CD2 3.6Å |
| 77 | L | 97.8 | Very high | 97 | Very high | 9 Ų | 9 | 59.7 Ų | 59.7 | 5% | 0.047 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -56.7 | -42.5 | 174.2 | -80.7 | 168.8 | 0 | 0 | 0 | 112 | P19 H73 R74 R81 H92 L94 Y117 | P19-L77 HydrophobicContact CB-CD1 3.71Å; P19-L77 HydrophobicContact CG-CD1 3.84Å; H73-L77 WeakPolarHBondContact O-CB 3.18Å; H73-L77 VanDerWaalsContact O-CG 3.3Å; H73-L77 WeakPolarHBondContact O-CG 3.38Å; H73-L77 PolarHBondContact O-N 3.03Å; R74-L77 PolarHBondContact O-N 3.3Å; L77-R81 WeakPolarHBondContact O-CB 3.46Å; L77-R81 PolarHBondContact O-N 2.74Å; L77-R81 VanDerWaalsContact O-N 3.11Å; L77-H92 HydrophobicContact CD2-CB 4.25Å; L77-L94 HydrophobicContact CD2-CB 3.65Å; L77-L94 HydrophobicContact CG-CB 4.05Å; L77-Y117 HydrophobicContact CD2-CE2 4.06Å |
| 78 | G | 95.8 | Very high | 96.7 | Very high | 37 Ų | 37 | 61.9 Ų | 61.9 | 38% | 0.381 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -67.7 | -39.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | R74 V75 D76 G82 | R74-G78 PolarHBondContact O-N 2.88Å; V75-G78 PolarHBondContact O-N 2.86Å; D76-G78 VanDerWaalsContact C-N 3.29Å; D76-G78 PolarHBondContact O-N 2.9Å; G78-G82 PolarHBondContact O-N 3.27Å |
| 79 | T | 97.1 | Very high | 96.4 | Very high | 51 Ų | 51 | 63.6 Ų | 63.6 | 31% | 0.313 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.4 | -48.3 | 178 | -58.4 | 0 | 0 | 0 | 0 | 111.6 | V75 D76 G82 Y83 | V75-T79 PolarHBondContact O-N 3.05Å; V75-T79 PolarHBondContact O-OG1 2.88Å; D76-T79 PolarHBondContact O-N 3.3Å; D76-T79 VanDerWaalsContact O-N 3.13Å; T79-G82 WeakPolarHBondContact O-CA 3.38Å; T79-G82 PolarHBondContact O-N 2.98Å; T79-G82 VanDerWaalsContact O-N 3.14Å; T79-Y83 HydrophobicContact CG2-CD1 4.36Å; T79-Y83 HydrophobicContact CG2-CD2 4.42Å; T79-Y83 HydrophobicContact CG2-CE1 3.78Å; T79-Y83 HydrophobicContact CG2-CE2 3.86Å; T79-Y83 VanDerWaalsContact CG2-CZ 3.5Å; T79-Y83 PolarHBondContact O-N 2.79Å |
| 80 | L | 97.8 | Very high | 96.2 | Very high | 7 Ų | 7 | 62.4 Ų | 62.4 | 4% | 0.037 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.4 | -45.5 | 179.3 | -69.6 | 168.6 | 0 | 0 | 0 | 110.9 | D76 G82 Y83 Y84 L94 Y117 Y122 | D76-L80 WeakPolarHBondContact O-CB 3.23Å; D76-L80 VanDerWaalsContact O-CG 3.25Å; D76-L80 WeakPolarHBondContact O-CG 3.27Å; D76-L80 PolarHBondContact O-N 3.42Å; L80-G82 PolarHBondContact O-N 2.98Å; L80-Y83 HydrophobicContact CD2-CD2 4.48Å; L80-Y83 PolarHBondContact O-N 2.91Å; L80-Y84 HydrophobicContact CD2-CE2 4.3Å; L80-Y84 WeakPolarHBondContact O-CD2 3.29Å; L80-Y84 PolarHBondContact O-N 3.5Å; L80-L94 HydrophobicContact CD1-CD1 3.63Å; L80-L94 HydrophobicContact CD1-CD2 4.2Å; L80-L94 HydrophobicContact CD1-CG 4.41Å; L80-Y117 HydrophobicContact CB-CD1 4.37Å; L80-Y117 HydrophobicContact CB-CD2 4.18Å; L80-Y117 HydrophobicContact CB-CE1 4.02Å; L80-Y117 HydrophobicContact CB-CE2 3.83Å; L80-Y117 HydrophobicContact CB-CG 4.43Å; L80-Y117 HydrophobicContact CD1-CD2 3.58Å; L80-Y117 HydrophobicContact CD1-CE2 3.94Å; L80-Y117 HydrophobicContact CD1-CG 4Å; L80-Y117 HydrophobicContact CG-CD2 4.46Å; L80-Y122 HydrophobicContact CD2-CD1 4.3Å; L80-Y122 HydrophobicContact CD2-CD2 4.21Å; L80-Y122 HydrophobicContact CD2-CE1 3.68Å; L80-Y122 HydrophobicContact CD2-CE2 3.54Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.45Å |
| 81 | R | 96.5 | Very high | 96.1 | Very high | 74 Ų | 74 | 65.1 Ų | 65.1 | 28% | 0.279 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -52.9 | -42.2 | 173.8 | -173.2 | -171.7 | 68.2 | -178.8 | 9.8 | 111.8 | L77 N85 Q86 E88 | L77-R81 WeakPolarHBondContact O-CB 3.46Å; L77-R81 PolarHBondContact O-N 2.74Å; L77-R81 VanDerWaalsContact O-N 3.11Å; R81-N85 PolarHBondContact O-N 2.93Å; R81-N85 VanDerWaalsContact O-N 3.17Å; R81-Q86 HydrophobicContact CG-CB 3.79Å; R81-Q86 WeakPolarHBondContact CG-O 3.12Å; R81-Q86 PolarHBondContact O-N 2.88Å; R81-E88 IonicContact CZ-OE1 3.82Å; R81-E88 IonicContact NH1-OE1 3.05Å; R81-E88 IonicContact NH2-OE1 3.75Å; R81-E88 PolarHBondContact NH2-OE1 2.85Å |
| 82 | G | 96.1 | Very high | 96.2 | Very high | 42 Ų | 42 | 61.2 Ų | 61.2 | 43% | 0.433 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.4 | -47.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | G78 T79 L80 Y84 N85 | G78-G82 PolarHBondContact O-N 3.27Å; T79-G82 WeakPolarHBondContact O-CA 3.38Å; T79-G82 PolarHBondContact O-N 2.98Å; T79-G82 VanDerWaalsContact O-N 3.14Å; L80-G82 PolarHBondContact O-N 2.98Å; G82-Y84 VanDerWaalsContact C-N 3.26Å; G82-Y84 PolarHBondContact O-N 2.03Å; G82-N85 PolarHBondContact O-N 2.92Å; G82-N85 VanDerWaalsContact O-N 3.1Å; G82-N85 PolarHBondContact O-OD1 3Å |
| 83 | Y | 97.1 | Very high | 96.2 | Very high | 63 Ų | 63 | 59.6 Ų | 59.6 | 25% | 0.247 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60.2 | -35.7 | 178.7 | -68.7 | -7.7 | 0 | 0 | 0 | 113.1 | T79 L80 T141 K145 | T79-Y83 HydrophobicContact CG2-CD1 4.36Å; T79-Y83 HydrophobicContact CG2-CD2 4.42Å; T79-Y83 HydrophobicContact CG2-CE1 3.78Å; T79-Y83 HydrophobicContact CG2-CE2 3.86Å; T79-Y83 VanDerWaalsContact CG2-CZ 3.5Å; T79-Y83 PolarHBondContact O-N 2.79Å; L80-Y83 HydrophobicContact CD2-CD2 4.48Å; L80-Y83 PolarHBondContact O-N 2.91Å; Y83-T141 HydrophobicContact CE1-CG2 4.23Å; Y83-T141 HydrophobicContact CE2-CG2 4.05Å; Y83-K145 PolarHBondContact OH-NZ 2.82Å |
| 84 | Y | 97.3 | Very high | 96.3 | Very high | 67 Ų | 67 | 59.7 Ų | 59.7 | 26% | 0.263 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | 4.5 | 178.4 | -68 | -72.8 | 0 | 0 | 0 | 114 | L80 G82 Q86 Y117 Y122 D136 A138 | L80-Y84 HydrophobicContact CD2-CE2 4.3Å; L80-Y84 WeakPolarHBondContact O-CD2 3.29Å; L80-Y84 PolarHBondContact O-N 3.5Å; G82-Y84 VanDerWaalsContact C-N 3.26Å; G82-Y84 PolarHBondContact O-N 2.03Å; Y84-Q86 PolarHBondContact O-N 2.8Å; Y84-Y117 AromaticContact CD2-CD1 3.73Å; Y84-Y117 HydrophobicContact CD2-CD1 3.73Å; Y84-Y117 AromaticContact CD2-CE1 3.51Å; Y84-Y117 HydrophobicContact CD2-CE1 3.51Å; Y84-Y117 AromaticContact CE2-CD1 3.48Å; Y84-Y117 HydrophobicContact CE2-CD1 3.48Å; Y84-Y117 VanDerWaalsContact CE2-CD1 3.48Å; Y84-Y117 AromaticContact CE2-CE1 3.78Å; Y84-Y117 HydrophobicContact CE2-CE1 3.78Å; Y84-Y117 HydrophobicContact CE2-CG 4.47Å; Y84-Y117 HydrophobicContact CG-CE1 4.44Å; Y84-Y122 HydrophobicContact CE2-CD2 4.49Å; Y84-Y122 HydrophobicContact CE2-CE2 4.2Å; Y84-Y122 VanDerWaalsContact OH-CD2 3.24Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.49Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.43Å; Y84-D136 VanDerWaalsContact CE1-OD2 3.3Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.15Å; Y84-D136 PolarHBondContact OH-OD1 3.47Å; Y84-D136 PolarHBondContact OH-OD2 2.99Å; Y84-A138 HydrophobicContact CD1-CB 4.12Å; Y84-A138 HydrophobicContact CE1-CB 3.55Å; Y84-A138 HydrophobicContact CE2-CB 3.99Å; Y84-A138 VanDerWaalsContact CZ-CB 3.48Å |
| 85 | N | 96.1 | Very high | 96.3 | Very high | 154 Ų | 154 | 58.6 Ų | 58.6 | 82% | 0.824 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 39.7 | -177.1 | -58.7 | -53.5 | 0 | 0 | 0 | 113.3 | R81 G82 | R81-N85 PolarHBondContact O-N 2.93Å; R81-N85 VanDerWaalsContact O-N 3.17Å; G82-N85 PolarHBondContact O-N 2.92Å; G82-N85 VanDerWaalsContact O-N 3.1Å; G82-N85 PolarHBondContact O-OD1 3Å |
| 86 | Q | 96.3 | Very high | 96.4 | Very high | 60 Ų | 60 | 54.9 Ų | 54.9 | 28% | 0.28 | 32% | 0.32 | S | S | . | . | trans | -87.9 | 150.4 | -176.1 | -70.7 | 167 | -32.7 | 0 | 0 | 111.9 | R81 Y84 H92 Y117 D118 | R81-Q86 HydrophobicContact CG-CB 3.79Å; R81-Q86 WeakPolarHBondContact CG-O 3.12Å; R81-Q86 PolarHBondContact O-N 2.88Å; Y84-Q86 PolarHBondContact O-N 2.8Å; Q86-H92 PolarHBondContact NE2-CE1 2.82Å; Q86-H92 PolarHBondContact OE1-CE1 3.22Å; Q86-H92 PolarHBondContact OE1-ND1 2.61Å; Q86-Y117 PolarHBondContact OE1-OH 2.89Å; Q86-D118 PolarHBondContact NE2-OD2 3.43Å | ||
| 87 | S | 94.1 | Very high | 96.4 | Very high | 79 Ų | 79 | 53.7 Ų | 53.7 | 55% | 0.552 | 31% | 0.314 | S | S | * | . | trans | -69.1 | 151.3 | -178.8 | 76.2 | 0 | 0 | 0 | 0 | 112.9 | A89 G90 | S87-A89 PolarHBondContact O-N 3.32Å; S87-G90 PolarHBondContact O-N 3Å | ||
| 88 | E | 90.5 | Very high | 96.5 | Very high | 137 Ų | 137 | 53.9 Ų | 53.9 | 64% | 0.64 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -20.8 | 176.9 | -56.1 | -153.5 | 126.5 | 0 | 0 | 114.2 | P14 R81 G90 | P14-E88 WeakPolarHBondContact CB-O 3.37Å; P14-E88 WeakPolarHBondContact CG-O 3.38Å; R81-E88 IonicContact CZ-OE1 3.82Å; R81-E88 IonicContact NH1-OE1 3.05Å; R81-E88 IonicContact NH2-OE1 3.75Å; R81-E88 PolarHBondContact NH2-OE1 2.85Å; E88-G90 VanDerWaalsContact C-N 3.26Å; E88-G90 PolarHBondContact O-N 3.3Å |
| 89 | A | 91.7 | Very high | 96.6 | Very high | 89 Ų | 89 | 52.1 Ų | 52.1 | 74% | 0.736 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -14.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | S87 | S87-A89 PolarHBondContact O-N 3.32Š|
| 90 | G | 92.8 | Very high | 96.7 | Very high | 21 Ų | 21 | 49.7 Ų | 49.7 | 22% | 0.216 | 28% | 0.281 | C | S | . | . | trans | -75.4 | 132.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | P14 S87 E88 H92 | P14-G90 WeakPolarHBondContact CG-O 3.34Å; S87-G90 PolarHBondContact O-N 3Å; E88-G90 VanDerWaalsContact C-N 3.26Å; E88-G90 PolarHBondContact O-N 3.3Å; G90-H92 PolarHBondContact O-CD2 2.84Å | ||
| 91 | S | 96.9 | Very high | 96.7 | Very high | 75 Ų | 75 | 50.6 Ų | 50.6 | 52% | 0.524 | 29% | 0.285 | S | S | . | . | trans | -81.9 | 130.4 | 165.6 | -179.2 | 0 | 0 | 0 | 0 | 108.9 | S12 | S12-S91 PolarHBondContact O-OG 3.39Š| ||
| 92 | H | 98.1 | Very high | 96.8 | Very high | 15 Ų | 15 | 47 Ų | 47 | 7% | 0.069 | 27% | 0.272 | C | S | . | . | trans | -128 | 150.1 | -176.2 | -64.3 | -73.3 | 0 | 0 | 0 | 110.7 | V11 S12 L77 Q86 G90 Y117 D118 | V11-H92 WeakPolarHBondContact CA-O 3.4Å; S12-H92 PolarHBondContact N-O 2.98Å; S12-H92 PolarHBondContact OG-N 3.34Å; S12-H92 PolarHBondContact OG-O 3.47Å; L77-H92 HydrophobicContact CD2-CB 4.25Å; Q86-H92 PolarHBondContact NE2-CE1 2.82Å; Q86-H92 PolarHBondContact OE1-CE1 3.22Å; Q86-H92 PolarHBondContact OE1-ND1 2.61Å; G90-H92 PolarHBondContact O-CD2 2.84Å; H92-Y117 HydrophobicContact CB-CE2 3.85Å; H92-Y117 WeakPolarHBondContact CB-OH 3.29Å; H92-Y117 AromaticContact CG-CZ 4Å; H92-Y117 VanDerWaalsContact CG-OH 3.23Å; H92-Y117 AromaticContact ND1-CZ 3.95Å; H92-Y117 PolarHBondContact ND1-OH 3.18Å; H92-D118 WeakPolarHBondContact CA-OD1 3.47Å; H92-D118 IonicContact CE1-OD2 3.55Å; H92-D118 IonicContact CG-OD1 2.87Å; H92-D118 IonicContact CG-OD2 3.96Å; H92-D118 IonicContact ND1-OD1 2.72Å; H92-D118 IonicContact ND1-OD2 2.74Å; H92-D118 PolarHBondContact ND1-OD2 2.82Å | ||
| 93 | T | 98.6 | Very high | 96.8 | Very high | 37 Ų | 37 | 45.3 Ų | 45.3 | 23% | 0.227 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 126.4 | -177.5 | -55.2 | 0 | 0 | 0 | 0 | 110.5 | T9 S10 V11 Q95 Y117 D118 | T9-T93 HydrophobicContact CG2-CG2 3.94Å; S10-T93 CarbonylContact O-C 3.59Å; S10-T93 VanDerWaalsContact O-CA 3.31Å; S10-T93 WeakPolarHBondContact O-CA 3.4Å; V11-T93 HydrophobicContact CG2-CG2 4.24Å; T93-Q95 HydrophobicContact CG2-CG 3.98Å; T93-Y117 CarbonylContact O-C 3.6Å; T93-Y117 WeakPolarHBondContact O-CA 3.14Å; T93-Y117 VanDerWaalsContact O-CD2 3.3Å; T93-Y117 WeakPolarHBondContact O-CD2 3.39Å; T93-D118 PolarHBondContact N-OD1 2.87Å; T93-D118 PolarHBondContact O-N 2.88Å |
| 94 | L | 98.8 | Very high | 96.5 | Very high | 2 Ų | 2 | 47.4 Ų | 47.4 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 121 | 171.1 | 178.7 | 61.3 | 0 | 0 | 0 | 109 | T9 S10 H73 D76 L77 L80 Y115 Y117 | T9-L94 WeakPolarHBondContact CA-O 3.28Å; S10-L94 PolarHBondContact N-O 3.27Å; S10-L94 PolarHBondContact O-N 3.11Å; H73-L94 HydrophobicContact CB-CD2 4.24Å; D76-L94 HydrophobicContact CB-CD2 3.6Å; L77-L94 HydrophobicContact CD2-CB 3.65Å; L77-L94 HydrophobicContact CG-CB 4.05Å; L80-L94 HydrophobicContact CD1-CD1 3.63Å; L80-L94 HydrophobicContact CD1-CD2 4.2Å; L80-L94 HydrophobicContact CD1-CG 4.41Å; L94-Y115 HydrophobicContact CD1-CD1 3.88Å; L94-Y115 HydrophobicContact CG-CD1 4.37Å; L94-Y117 HydrophobicContact CB-CD2 4.49Å; L94-Y117 HydrophobicContact CD1-CD2 4.46Å |
| 95 | Q | 98.8 | Very high | 96.2 | Very high | 75 Ų | 75 | 48.3 Ų | 48.3 | 35% | 0.35 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 146.7 | 177.8 | -66.7 | 170.2 | -81 | 0 | 0 | 110 | Y8 T9 T93 Y115 A116 | Y8-Q95 CarbonylContact O-C 3.58Å; Y8-Q95 VanDerWaalsContact O-CA 3.32Å; Y8-Q95 WeakPolarHBondContact O-CA 3.38Å; T9-Q95 HydrophobicContact CG2-CG 4.04Å; T93-Q95 HydrophobicContact CG2-CG 3.98Å; Q95-Y115 CarbonylContact O-C 3.53Å; Q95-Y115 WeakPolarHBondContact O-CA 3.47Å; Q95-A116 HydrophobicContact CB-CB 4.3Å; Q95-A116 PolarHBondContact N-O 2.86Å; Q95-A116 PolarHBondContact O-N 2.83Å |
| 96 | R | 98.6 | Very high | 95.9 | Very high | 11 Ų | 11 | 45.1 Ų | 45.1 | 4% | 0.042 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 135.8 | 175 | -178.5 | -167.9 | 176.2 | -176.5 | -27.9 | 109.6 | F7 Y8 H69 H113 Q114 Y115 | F7-R96 WeakPolarHBondContact CA-O 3.49Å; Y8-R96 PolarHBondContact N-O 3.41Å; Y8-R96 PolarHBondContact O-N 3.38Å; H69-R96 PolarHBondContact CD2-NH1 2.69Å; H69-R96 PolarHBondContact NE2-NH1 3.36Å; R96-H113 PolarHBondContact NE-NE2 3.47Å; R96-H113 VanDerWaalsContact NE-NE2 3.18Å; R96-Q114 CarbonylContact C-O 3.6Å; R96-Q114 VanDerWaalsContact CA-O 3.32Å; R96-Q114 WeakPolarHBondContact CA-O 3.16Å; R96-Y115 HydrophobicContact CB-CD1 3.78Å; R96-Y115 HydrophobicContact CB-CE1 3.69Å; R96-Y115 HydrophobicContact CB-CG 4.32Å; R96-Y115 WeakPolarHBondContact CD-OH 3.42Å; R96-Y115 HydrophobicContact CG-CD1 4.03Å; R96-Y115 HydrophobicContact CG-CD2 4.17Å; R96-Y115 HydrophobicContact CG-CE1 3.69Å; R96-Y115 HydrophobicContact CG-CE2 3.8Å; R96-Y115 HydrophobicContact CG-CG 4.28Å; R96-Y115 PolarHBondContact NE-OH 3.2Å; R96-Y115 PolarHBondContact NH1-OH 3.45Å; R96-Y115 VanDerWaalsContact NH1-OH 3.12Å |
| 97 | M | 98.7 | Very high | 95.8 | Very high | 23 Ų | 23 | 50.6 Ų | 50.6 | 11% | 0.113 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 134.7 | 167.9 | -174.4 | -80.8 | -75.6 | 0 | 0 | 109.5 | Y6 F7 Y112 H113 Q114 | Y6-M97 WeakPolarHBondContact O-CA 3.28Å; F7-M97 HydrophobicContact CD1-CB 3.97Å; F7-M97 HydrophobicContact CD1-CG 3.63Å; F7-M97 HydrophobicContact CE1-CB 4.13Å; F7-M97 HydrophobicContact CE1-CG 3.38Å; F7-M97 HydrophobicContact CG-CG 4.43Å; F7-M97 HydrophobicContact CZ-CG 4Å; M97-Y112 HydrophobicContact CE-CD1 4.14Å; M97-Y112 HydrophobicContact CE-CG 4.12Å; M97-Y112 HydrophobicContact SD-CG 4.44Å; M97-H113 WeakPolarHBondContact O-CA 3.4Å; M97-Q114 HydrophobicContact CB-CG 4.1Å; M97-Q114 HydrophobicContact CE-CG 4.06Å; M97-Q114 PolarHBondContact N-O 3.4Å; M97-Q114 PolarHBondContact O-N 3.17Å |
| 98 | Y | 98.8 | Very high | 96 | Very high | 12 Ų | 12 | 49.5 Ų | 49.5 | 5% | 0.047 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 158.9 | 169.2 | 71.8 | -90.5 | 0 | 0 | 0 | 111.3 | Y6 Y8 Y112 W155 Y158 | Y6-Y98 VanDerWaalsContact CB-CZ 3.5Å; Y6-Y98 HydrophobicContact CD2-CD2 4.28Å; Y6-Y98 AromaticContact CD2-CE2 3.46Å; Y6-Y98 HydrophobicContact CD2-CE2 3.46Å; Y6-Y98 VanDerWaalsContact CD2-CE2 3.46Å; Y6-Y98 AromaticContact CD2-CZ 3.61Å; Y6-Y98 WeakPolarHBondContact CD2-OH 3.5Å; Y6-Y98 HydrophobicContact CE2-CE2 4.19Å; Y6-Y98 HydrophobicContact CG-CE1 4.26Å; Y6-Y98 HydrophobicContact CG-CE2 4Å; Y6-Y98 AromaticContact CG-CZ 3.65Å; Y6-Y98 PolarHBondContact N-O 3.17Å; Y6-Y98 PolarHBondContact O-N 3Å; Y6-Y98 VanDerWaalsContact O-N 3.1Å; Y8-Y98 HydrophobicContact CD2-CE1 4.38Å; Y8-Y98 HydrophobicContact CE1-CE1 4.16Å; Y8-Y98 AromaticContact CE2-CE1 3.74Å; Y8-Y98 HydrophobicContact CE2-CE1 3.74Å; Y8-Y98 AromaticContact CZ-CE1 3.63Å; Y8-Y98 PolarHBondContact OH-OH 3.18Å; Y98-Y112 WeakPolarHBondContact CA-O 3.36Å; Y98-Y112 VanDerWaalsContact CB-O 3.29Å; Y98-Y112 WeakPolarHBondContact CB-O 3.5Å; Y98-W155 AromaticContact CD2-CZ3 3.99Å; Y98-W155 HydrophobicContact CD2-CZ3 3.99Å; Y98-W155 HydrophobicContact CG-CZ3 4.19Å; Y98-Y158 AromaticContact CD2-CE1 3.89Å; Y98-Y158 HydrophobicContact CD2-CE1 3.89Å; Y98-Y158 AromaticContact CE2-CE1 3.84Å; Y98-Y158 HydrophobicContact CE2-CE1 3.84Å |
| 99 | G | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 160.6 | -176.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | M4 G111 Y112 L159 | M4-G99 CarbonylContact O-C 3.55Å; M4-G99 WeakPolarHBondContact O-CA 3.29Å; G99-G111 CarbonylContact O-C 3.55Å; G99-G111 WeakPolarHBondContact O-CA 3.46Å; G99-Y112 PolarHBondContact N-O 3.19Å; G99-Y112 PolarHBondContact O-N 3.22Å; G99-L159 WeakPolarHBondContact O-CD2 3.42Å |
| 100 | C | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 152.8 | -176.3 | 55.5 | 0 | 0 | 0 | 0 | 111.4 | S3 M4 F108 R110 C163 | S3-C100 WeakPolarHBondContact CA-O 3.31Å; M4-C100 PolarHBondContact N-O 2.94Å; M4-C100 PolarHBondContact O-N 2.99Å; C100-F108 HydrophobicContact CB-CD2 4.39Å; C100-F108 HydrophobicContact CB-CE2 4.11Å; C100-R110 CarbonylContact C-O 3.53Å; C100-R110 VanDerWaalsContact CA-O 3.29Å; C100-R110 WeakPolarHBondContact CA-O 3.49Å; C100-C163 HydrophobicContact CB-CB 3.88Å; C100-C163 WeakPolarHBondContact CB-SG 3.34Å; C100-C163 PolarHBondContact N-SG 3.16Å; C100-C163 VanDerWaalsContact N-SG 3.37Å; C100-C163 WeakPolarHBondContact SG-CB 3.29Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 2.97Å |
| 101 | D | 98.4 | Very high | 96.9 | Very high | 26 Ų | 26 | 47.6 Ų | 47.6 | 14% | 0.139 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 141.8 | 173.8 | -58.9 | -13.9 | 0 | 0 | 0 | 109.5 | H2 S3 R5 L109 R110 Y112 | H2-D101 CarbonylContact O-C 3.58Å; H2-D101 WeakPolarHBondContact O-CA 3.35Å; S3-D101 WeakPolarHBondContact CB-OD1 3.42Å; R5-D101 IonicContact CZ-OD1 3.53Å; R5-D101 IonicContact NE-OD1 3.49Å; R5-D101 PolarHBondContact NE-OD1 2.9Å; R5-D101 VanDerWaalsContact NH2-CG 3.27Å; R5-D101 IonicContact NH2-OD1 2.76Å; R5-D101 PolarHBondContact NH2-OD1 2.94Å; R5-D101 IonicContact NH2-OD2 3Å; R5-D101 PolarHBondContact NH2-OD2 3.31Å; D101-L109 HydrophobicContact CB-CB 4.37Å; D101-L109 PolarHBondContact O-N 3.14Å; D101-R110 HydrophobicContact CB-CB 4.34Å; D101-R110 PolarHBondContact N-O 3.23Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.41Å; D101-Y112 PolarHBondContact OD2-OH 2.92Å |
| 102 | V | 97.8 | Very high | 97 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 145 | 176.1 | -61.1 | 0 | 0 | 0 | 0 | 111.6 | S1 H2 W106 R107 V164 L167 | S1-V102 WeakPolarHBondContact CA-O 3.43Å; S1-V102 VanDerWaalsContact CB-O 3.28Å; S1-V102 WeakPolarHBondContact CB-O 3.47Å; H2-V102 HydrophobicContact CB-CG2 3.99Å; H2-V102 PolarHBondContact N-O 3.27Å; H2-V102 PolarHBondContact O-N 3.13Å; V102-W106 HydrophobicContact CG2-CE3 4.27Å; V102-R107 CarbonylContact C-O 3.54Å; V102-R107 WeakPolarHBondContact CA-O 3.26Å; V102-V164 HydrophobicContact CG1-CB 4.36Å; V102-V164 HydrophobicContact CG1-CG1 3.89Å; V102-V164 HydrophobicContact CG1-CG2 3.96Å; V102-L167 HydrophobicContact CB-CD2 4.41Å; V102-L167 HydrophobicContact CG1-CD2 3.97Å; V102-L167 HydrophobicContact CG2-CD2 3.68Å; V102-L167 HydrophobicContact CG2-CG 4.29Å |
| 103 | G | 95.6 | Very high | 97 | Very high | 6 Ų | 6 | 45.1 Ų | 45.1 | 6% | 0.062 | 22% | 0.216 | C | C | . | . | trans | -69.6 | 173.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | D105 W106 R107 | G103-D105 PolarHBondContact O-N 3.4Å; G103-W106 PolarHBondContact O-N 2.83Å; G103-R107 PolarHBondContact N-O 3.18Å | ||
| 104 | S | 90.6 | Very high | 97 | Very high | 106 Ų | 106 | 46.6 Ų | 46.6 | 74% | 0.741 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -21.7 | 170.5 | 47.7 | 0 | 0 | 0 | 0 | 112.8 | W106 | S104-W106 VanDerWaalsContact C-N 3.27Š|
| 105 | D | 91.5 | Very high | 97 | Very high | 86 Ų | 86 | 47.4 Ų | 47.4 | 46% | 0.46 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 11.1 | 173.6 | 71.2 | -18.6 | 0 | 0 | 0 | 113.3 | G103 R107 | G103-D105 PolarHBondContact O-N 3.4Å; D105-R107 PolarHBondContact O-N 3.23Å; D105-R107 VanDerWaalsContact O-N 3.17Å; D105-R107 WeakPolarHBondContact OD1-CB 3.41Å; D105-R107 PolarHBondContact OD1-N 2.72Å; D105-R107 VanDerWaalsContact OD1-N 3.11Å; D105-R107 WeakPolarHBondContact OD2-CD 3.39Å; D105-R107 VanDerWaalsContact OD2-CG 3.24Å; D105-R107 WeakPolarHBondContact OD2-CG 3.46Å; D105-R107 IonicContact OD2-NE 3.78Å; D105-R107 PolarHBondContact OD2-NE 3Å |
| 106 | W | 89.9 | Confident | 97 | Very high | 88 Ų | 88 | 44.7 Ų | 44.7 | 33% | 0.333 | 21% | 0.214 | S | C | . | . | S | Bend | trans | 66.5 | 6.3 | -179.1 | -52.7 | 103.7 | 0 | 0 | 0 | 115.4 | V102 G103 S104 R168 L171 | V102-W106 HydrophobicContact CG2-CE3 4.27Å; G103-W106 PolarHBondContact O-N 2.83Å; S104-W106 VanDerWaalsContact C-N 3.27Å; W106-R168 HydrophobicContact CE3-CG 3.98Å; W106-R168 PolarHBondContact O-NE 2.99Å; W106-R168 PolarHBondContact O-NH2 3.11Å; W106-L171 HydrophobicContact CH2-CB 4.03Å; W106-L171 HydrophobicContact CH2-CD1 3.98Å; W106-L171 HydrophobicContact CZ3-CB 4.1Å; W106-L171 HydrophobicContact CZ3-CD1 3.43Å; W106-L171 VanDerWaalsContact CZ3-CD1 3.43Å; W106-L171 HydrophobicContact CZ3-CG 4.37Å |
| 107 | R | 95.4 | Very high | 97 | Very high | 174 Ų | 174 | 44.6 Ų | 44.6 | 66% | 0.657 | 21% | 0.214 | S | C | * | . | trans | -79.7 | 147.4 | 179.8 | -64.6 | -172.2 | -173.5 | -171.4 | -2 | 111.1 | V102 G103 D105 L109 | V102-R107 CarbonylContact C-O 3.54Å; V102-R107 WeakPolarHBondContact CA-O 3.26Å; G103-R107 PolarHBondContact N-O 3.18Å; D105-R107 PolarHBondContact O-N 3.23Å; D105-R107 VanDerWaalsContact O-N 3.17Å; D105-R107 WeakPolarHBondContact OD1-CB 3.41Å; D105-R107 PolarHBondContact OD1-N 2.72Å; D105-R107 VanDerWaalsContact OD1-N 3.11Å; D105-R107 WeakPolarHBondContact OD2-CD 3.39Å; D105-R107 VanDerWaalsContact OD2-CG 3.24Å; D105-R107 WeakPolarHBondContact OD2-CG 3.46Å; D105-R107 IonicContact OD2-NE 3.78Å; D105-R107 PolarHBondContact OD2-NE 3Å; R107-L109 PolarHBondContact O-N 2.96Å | ||
| 108 | F | 97.9 | Very high | 97 | Very high | 57 Ų | 57 | 46.4 Ų | 46.4 | 25% | 0.25 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.8 | 129.1 | 173.1 | 178.3 | -99.3 | 0 | 0 | 0 | 110.4 | C100 R110 G111 L129 L159 E160 V164 | C100-F108 HydrophobicContact CB-CD2 4.39Å; C100-F108 HydrophobicContact CB-CE2 4.11Å; F108-R110 VanDerWaalsContact CE2-C 3.46Å; F108-R110 VanDerWaalsContact CE2-O 3.3Å; F108-R110 WeakPolarHBondContact CE2-O 3.45Å; F108-G111 VanDerWaalsContact CZ-N 3.29Å; F108-L129 HydrophobicContact CE1-CD1 3.89Å; F108-L129 HydrophobicContact CZ-CD1 3.65Å; F108-L159 HydrophobicContact CE2-CB 4.36Å; F108-L159 WeakPolarHBondContact CE2-O 3.3Å; F108-E160 HydrophobicContact CD1-CG 4.08Å; F108-E160 HydrophobicContact CE1-CG 3.94Å; F108-E160 HydrophobicContact CE2-CG 4.41Å; F108-E160 HydrophobicContact CG-CG 4.37Å; F108-E160 HydrophobicContact CZ-CG 4.1Å; F108-V164 HydrophobicContact CB-CG2 4.1Å; F108-V164 HydrophobicContact CD2-CG2 3.78Å; F108-V164 HydrophobicContact CG-CG2 4.43Å |
| 109 | L | 97.5 | Very high | 96.9 | Very high | 107 Ų | 107 | 48.7 Ų | 48.7 | 56% | 0.56 | 25% | 0.251 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.9 | -48.6 | 175 | -66.2 | -179.4 | 0 | 0 | 0 | 111.7 | D101 R107 | D101-L109 HydrophobicContact CB-CB 4.37Å; D101-L109 PolarHBondContact O-N 3.14Å; R107-L109 PolarHBondContact O-N 2.96Å |
| 110 | R | 97.7 | Very high | 96.9 | Very high | 95 Ų | 95 | 56.3 Ų | 56.3 | 36% | 0.358 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 148.1 | -171.8 | -171.5 | 163 | 170.1 | 142.8 | 8.6 | 111.5 | C100 D101 F108 Y112 E127 | C100-R110 CarbonylContact C-O 3.53Å; C100-R110 VanDerWaalsContact CA-O 3.29Å; C100-R110 WeakPolarHBondContact CA-O 3.49Å; D101-R110 HydrophobicContact CB-CB 4.34Å; D101-R110 PolarHBondContact N-O 3.23Å; F108-R110 VanDerWaalsContact CE2-C 3.46Å; F108-R110 VanDerWaalsContact CE2-O 3.3Å; F108-R110 WeakPolarHBondContact CE2-O 3.45Å; R110-Y112 HydrophobicContact CB-CE2 4.18Å; R110-Y112 WeakPolarHBondContact CD-OH 3.43Å; R110-Y112 HydrophobicContact CG-CE1 4.13Å; R110-Y112 HydrophobicContact CG-CE2 3.8Å; R110-Y112 VanDerWaalsContact NE-CE1 3.25Å; R110-Y112 PolarHBondContact NE-OH 2.99Å; R110-E127 IonicContact CZ-OE1 2.66Å; R110-E127 VanDerWaalsContact NH1-CD 3.25Å; R110-E127 IonicContact NH1-OE1 3.92Å; R110-E127 PolarHBondContact NH1-OE1 3.23Å; R110-E127 IonicContact NH1-OE2 2.72Å; R110-E127 IonicContact NH2-OE1 3.37Å; R110-E127 PolarHBondContact NH2-OE1 3.46Å |
| 111 | G | 98.3 | Very high | 96.9 | Very high | 4 Ų | 4 | 62.2 Ų | 62.2 | 4% | 0.041 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 150.6 | 176 | 0 | 0 | 0 | 0 | 0 | 110.7 | G99 F108 | G99-G111 CarbonylContact O-C 3.55Å; G99-G111 WeakPolarHBondContact O-CA 3.46Å; F108-G111 VanDerWaalsContact CZ-N 3.29Å |
| 112 | Y | 98.5 | Very high | 96.9 | Very high | 37 Ų | 37 | 61.4 Ų | 61.4 | 15% | 0.145 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 139.7 | -178.1 | -52.2 | -97.3 | 0 | 0 | 0 | 109.7 | R5 M97 Y98 G99 D101 R110 | R5-Y112 VanDerWaalsContact CZ-CE2 3.41Å; R5-Y112 PolarHBondContact NH2-OH 3.31Å; M97-Y112 HydrophobicContact CE-CD1 4.14Å; M97-Y112 HydrophobicContact CE-CG 4.12Å; M97-Y112 HydrophobicContact SD-CG 4.44Å; Y98-Y112 WeakPolarHBondContact CA-O 3.36Å; Y98-Y112 VanDerWaalsContact CB-O 3.29Å; Y98-Y112 WeakPolarHBondContact CB-O 3.5Å; G99-Y112 PolarHBondContact N-O 3.19Å; G99-Y112 PolarHBondContact O-N 3.22Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.41Å; D101-Y112 PolarHBondContact OD2-OH 2.92Å; R110-Y112 HydrophobicContact CB-CE2 4.18Å; R110-Y112 WeakPolarHBondContact CD-OH 3.43Å; R110-Y112 HydrophobicContact CG-CE1 4.13Å; R110-Y112 HydrophobicContact CG-CE2 3.8Å; R110-Y112 VanDerWaalsContact NE-CE1 3.25Å; R110-Y112 PolarHBondContact NE-OH 2.99Å |
| 113 | H | 98.6 | Very high | 97 | Very high | 2 Ų | 2 | 61.6 Ų | 61.6 | 1% | 0.009 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 106.2 | 166.6 | -177.9 | -140.6 | 0 | 0 | 0 | 108.7 | R96 M97 Y115 L125 W132 W155 | R96-H113 PolarHBondContact NE-NE2 3.47Å; R96-H113 VanDerWaalsContact NE-NE2 3.18Å; M97-H113 WeakPolarHBondContact O-CA 3.4Å; H113-Y115 AromaticContact CE1-CE2 3.79Å; H113-Y115 AromaticContact NE2-CE2 3.29Å; H113-Y115 VanDerWaalsContact NE2-CE2 3.29Å; H113-Y115 WeakPolarHBondContact NE2-CE2 3.19Å; H113-Y115 AromaticContact NE2-CZ 3.92Å; H113-L125 HydrophobicContact CB-CB 4.06Å; H113-L125 HydrophobicContact CB-CD2 4.22Å; H113-L125 WeakPolarHBondContact O-CB 3.34Å; H113-L125 PolarHBondContact O-N 3.16Å; H113-W132 AromaticContact ND1-CH2 3.42Å; H113-W132 WeakPolarHBondContact ND1-CH2 3.34Å; H113-W132 AromaticContact ND1-CZ3 3.78Å; H113-W155 HydrophobicContact CB-CD2 4.39Å; H113-W155 HydrophobicContact CB-CE3 4.41Å; H113-W155 AromaticContact CE1-CD1 3.57Å; H113-W155 AromaticContact CE1-CD2 3.74Å; H113-W155 AromaticContact CE1-CE2 3.27Å; H113-W155 AromaticContact CE1-CG 3.97Å; H113-W155 AromaticContact CE1-CZ2 3.89Å; H113-W155 AromaticContact CE1-NE1 3.08Å; H113-W155 PolarHBondContact CE1-NE1 3.28Å; H113-W155 AromaticContact CG-CD2 3.82Å; H113-W155 AromaticContact ND1-CD1 3.43Å; H113-W155 AromaticContact ND1-CD2 3.5Å; H113-W155 AromaticContact ND1-CE2 3.57Å; H113-W155 AromaticContact ND1-CG 3.5Å; H113-W155 AromaticContact ND1-NE1 3.43Å; H113-W155 PolarHBondContact ND1-NE1 3.3Å; H113-W155 AromaticContact NE2-CE2 3.61Å; H113-W155 AromaticContact NE2-CZ2 3.77Å; H113-W155 AromaticContact NE2-NE1 3.86Å |
| 114 | Q | 98.6 | Very high | 97.1 | Very high | 68 Ų | 68 | 62.8 Ų | 62.8 | 32% | 0.318 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 149.7 | -172.7 | 63.4 | -165.4 | 64.7 | 0 | 0 | 111.9 | R96 M97 I123 A124 | R96-Q114 CarbonylContact C-O 3.6Å; R96-Q114 VanDerWaalsContact CA-O 3.32Å; R96-Q114 WeakPolarHBondContact CA-O 3.16Å; M97-Q114 HydrophobicContact CB-CG 4.1Å; M97-Q114 HydrophobicContact CE-CG 4.06Å; M97-Q114 PolarHBondContact N-O 3.4Å; M97-Q114 PolarHBondContact O-N 3.17Å; Q114-I123 CarbonylContact C-O 3.4Å; Q114-I123 WeakPolarHBondContact CA-O 3.47Å; Q114-A124 HydrophobicContact CB-CB 3.8Å |
| 115 | Y | 98.8 | Very high | 97.5 | Very high | 19 Ų | 19 | 58.4 Ų | 58.4 | 8% | 0.075 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 147 | 176 | -71.3 | -105.6 | 0 | 0 | 0 | 110.6 | H73 L94 Q95 R96 H113 Y122 I123 W146 | H73-Y115 AromaticContact NE2-CE1 3.95Å; L94-Y115 HydrophobicContact CD1-CD1 3.88Å; L94-Y115 HydrophobicContact CG-CD1 4.37Å; Q95-Y115 CarbonylContact O-C 3.53Å; Q95-Y115 WeakPolarHBondContact O-CA 3.47Å; R96-Y115 HydrophobicContact CB-CD1 3.78Å; R96-Y115 HydrophobicContact CB-CE1 3.69Å; R96-Y115 HydrophobicContact CB-CG 4.32Å; R96-Y115 WeakPolarHBondContact CD-OH 3.42Å; R96-Y115 HydrophobicContact CG-CD1 4.03Å; R96-Y115 HydrophobicContact CG-CD2 4.17Å; R96-Y115 HydrophobicContact CG-CE1 3.69Å; R96-Y115 HydrophobicContact CG-CE2 3.8Å; R96-Y115 HydrophobicContact CG-CG 4.28Å; R96-Y115 PolarHBondContact NE-OH 3.2Å; R96-Y115 PolarHBondContact NH1-OH 3.45Å; R96-Y115 VanDerWaalsContact NH1-OH 3.12Å; H113-Y115 AromaticContact CE1-CE2 3.79Å; H113-Y115 AromaticContact NE2-CE2 3.29Å; H113-Y115 VanDerWaalsContact NE2-CE2 3.29Å; H113-Y115 WeakPolarHBondContact NE2-CE2 3.19Å; H113-Y115 AromaticContact NE2-CZ 3.92Å; Y115-Y122 WeakPolarHBondContact O-CB 3.36Å; Y115-Y122 PolarHBondContact O-N 3.44Å; Y115-I123 HydrophobicContact CD2-CG2 4.26Å; Y115-I123 PolarHBondContact N-O 3.16Å; Y115-I123 PolarHBondContact O-N 3.23Å; Y115-W146 AromaticContact CD2-CH2 3.81Å; Y115-W146 HydrophobicContact CD2-CH2 3.81Å; Y115-W146 HydrophobicContact CD2-CZ3 4.48Å; Y115-W146 AromaticContact CE2-CH2 3.47Å; Y115-W146 HydrophobicContact CE2-CH2 3.47Å; Y115-W146 VanDerWaalsContact CE2-CH2 3.47Å; Y115-W146 HydrophobicContact CE2-CZ2 4.31Å; Y115-W146 HydrophobicContact CE2-CZ3 4.33Å |
| 116 | A | 98.8 | Very high | 97.8 | Very high | 17 Ų | 17 | 58.6 Ų | 58.6 | 14% | 0.14 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 144.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | Q95 K120 | Q95-A116 HydrophobicContact CB-CB 4.3Å; Q95-A116 PolarHBondContact N-O 2.86Å; Q95-A116 PolarHBondContact O-N 2.83Å; A116-K120 CarbonylContact C-O 3.58Å; A116-K120 WeakPolarHBondContact CA-O 3.4Å; A116-K120 VanDerWaalsContact CB-O 3.23Å; A116-K120 WeakPolarHBondContact CB-O 2.99Å |
| 117 | Y | 98.7 | Very high | 98.2 | Very high | 10 Ų | 10 | 60.9 Ų | 60.9 | 4% | 0.039 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 128.1 | 178 | -174.1 | -118.8 | 0 | 0 | 0 | 109.7 | L77 L80 Y84 Q86 H92 T93 L94 G119 K120 | L77-Y117 HydrophobicContact CD2-CE2 4.06Å; L80-Y117 HydrophobicContact CB-CD1 4.37Å; L80-Y117 HydrophobicContact CB-CD2 4.18Å; L80-Y117 HydrophobicContact CB-CE1 4.02Å; L80-Y117 HydrophobicContact CB-CE2 3.83Å; L80-Y117 HydrophobicContact CB-CG 4.43Å; L80-Y117 HydrophobicContact CD1-CD2 3.58Å; L80-Y117 HydrophobicContact CD1-CE2 3.94Å; L80-Y117 HydrophobicContact CD1-CG 4Å; L80-Y117 HydrophobicContact CG-CD2 4.46Å; Y84-Y117 AromaticContact CD2-CD1 3.73Å; Y84-Y117 HydrophobicContact CD2-CD1 3.73Å; Y84-Y117 AromaticContact CD2-CE1 3.51Å; Y84-Y117 HydrophobicContact CD2-CE1 3.51Å; Y84-Y117 AromaticContact CE2-CD1 3.48Å; Y84-Y117 HydrophobicContact CE2-CD1 3.48Å; Y84-Y117 VanDerWaalsContact CE2-CD1 3.48Å; Y84-Y117 AromaticContact CE2-CE1 3.78Å; Y84-Y117 HydrophobicContact CE2-CE1 3.78Å; Y84-Y117 HydrophobicContact CE2-CG 4.47Å; Y84-Y117 HydrophobicContact CG-CE1 4.44Å; Q86-Y117 PolarHBondContact OE1-OH 2.89Å; H92-Y117 HydrophobicContact CB-CE2 3.85Å; H92-Y117 WeakPolarHBondContact CB-OH 3.29Å; H92-Y117 AromaticContact CG-CZ 4Å; H92-Y117 VanDerWaalsContact CG-OH 3.23Å; H92-Y117 AromaticContact ND1-CZ 3.95Å; H92-Y117 PolarHBondContact ND1-OH 3.18Å; T93-Y117 CarbonylContact O-C 3.6Å; T93-Y117 WeakPolarHBondContact O-CA 3.14Å; T93-Y117 VanDerWaalsContact O-CD2 3.3Å; T93-Y117 WeakPolarHBondContact O-CD2 3.39Å; L94-Y117 HydrophobicContact CB-CD2 4.49Å; L94-Y117 HydrophobicContact CD1-CD2 4.46Å; Y117-G119 PolarHBondContact O-N 2.9Å; Y117-K120 PolarHBondContact N-O 2.97Å; Y117-K120 PolarHBondContact O-N 2.89Å |
| 118 | D | 98.1 | Very high | 98.3 | Very high | 61 Ų | 61 | 56.3 Ų | 56.3 | 33% | 0.326 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.6 | 40.4 | -174.4 | -66.4 | -22.2 | 0 | 0 | 0 | 113.3 | Q86 H92 T93 K120 | Q86-D118 PolarHBondContact NE2-OD2 3.43Å; H92-D118 WeakPolarHBondContact CA-OD1 3.47Å; H92-D118 IonicContact CE1-OD2 3.55Å; H92-D118 IonicContact CG-OD1 2.87Å; H92-D118 IonicContact CG-OD2 3.96Å; H92-D118 IonicContact ND1-OD1 2.72Å; H92-D118 IonicContact ND1-OD2 2.74Å; H92-D118 PolarHBondContact ND1-OD2 2.82Å; T93-D118 PolarHBondContact N-OD1 2.87Å; T93-D118 PolarHBondContact O-N 2.88Å; D118-K120 VanDerWaalsContact C-N 3.28Å; D118-K120 PolarHBondContact O-N 2.85Å |
| 119 | G | 97.4 | Very high | 98.3 | Very high | 59 Ų | 59 | 53.8 Ų | 53.8 | 61% | 0.608 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77 | 6.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y117 | Y117-G119 PolarHBondContact O-N 2.9Š|
| 120 | K | 98.4 | Very high | 98.3 | Very high | 161 Ų | 161 | 56.8 Ų | 56.8 | 70% | 0.7 | 28% | 0.282 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 145.1 | 177.1 | -61.3 | 179.8 | -176.9 | 177.8 | 0 | 110.8 | A116 Y117 D118 Y122 | A116-K120 CarbonylContact C-O 3.58Å; A116-K120 WeakPolarHBondContact CA-O 3.4Å; A116-K120 VanDerWaalsContact CB-O 3.23Å; A116-K120 WeakPolarHBondContact CB-O 2.99Å; Y117-K120 PolarHBondContact N-O 2.97Å; Y117-K120 PolarHBondContact O-N 2.89Å; D118-K120 VanDerWaalsContact C-N 3.28Å; D118-K120 PolarHBondContact O-N 2.85Å; K120-Y122 PolarHBondContact O-N 2.89Å |
| 121 | D | 98.6 | Very high | 98.3 | Very high | 124 Ų | 124 | 53.5 Ų | 53.5 | 66% | 0.663 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -53.9 | 138.4 | 173.9 | -71.2 | -28.2 | 0 | 0 | 0 | 110.8 | A135 | D121-A135 HydrophobicContact CB-CB 4.32Å; D121-A135 WeakPolarHBondContact O-CB 3.3Å |
| 122 | Y | 98.8 | Very high | 98.3 | Very high | 8 Ų | 8 | 53.4 Ų | 53.4 | 3% | 0.031 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | -65.1 | 179.1 | -180 | -114.1 | 0 | 0 | 0 | 110.8 | L80 Y84 Y115 K120 A135 A138 A139 T142 | L80-Y122 HydrophobicContact CD2-CD1 4.3Å; L80-Y122 HydrophobicContact CD2-CD2 4.21Å; L80-Y122 HydrophobicContact CD2-CE1 3.68Å; L80-Y122 HydrophobicContact CD2-CE2 3.54Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.45Å; Y84-Y122 HydrophobicContact CE2-CD2 4.49Å; Y84-Y122 HydrophobicContact CE2-CE2 4.2Å; Y84-Y122 VanDerWaalsContact OH-CD2 3.24Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.49Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.43Å; Y115-Y122 WeakPolarHBondContact O-CB 3.36Å; Y115-Y122 PolarHBondContact O-N 3.44Å; K120-Y122 PolarHBondContact O-N 2.89Å; Y122-A135 WeakPolarHBondContact O-CB 3.44Å; Y122-A135 PolarHBondContact O-N 3.16Å; Y122-A138 HydrophobicContact CE2-CB 4.43Å; Y122-A138 PolarHBondContact OH-O 3.27Å; Y122-A139 HydrophobicContact CD2-CB 3.72Å; Y122-A139 VanDerWaalsContact CE2-CA 3.44Å; Y122-A139 HydrophobicContact CE2-CB 3.58Å; Y122-A139 HydrophobicContact CG-CB 4.3Å; Y122-A139 WeakPolarHBondContact O-CB 3.45Å; Y122-T142 HydrophobicContact CE1-CG2 4.18Å; Y122-T142 WeakPolarHBondContact OH-CB 3.36Å; Y122-T142 PolarHBondContact OH-OG1 3.28Å |
| 123 | I | 98.8 | Very high | 98.3 | Very high | 4 Ų | 4 | 55.2 Ų | 55.2 | 2% | 0.021 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 139.3 | 179 | -163.5 | 174.4 | 0 | 0 | 0 | 110.4 | Q114 Y115 W132 T133 T142 K143 W146 | Q114-I123 CarbonylContact C-O 3.4Å; Q114-I123 WeakPolarHBondContact CA-O 3.47Å; Y115-I123 HydrophobicContact CD2-CG2 4.26Å; Y115-I123 PolarHBondContact N-O 3.16Å; Y115-I123 PolarHBondContact O-N 3.23Å; I123-W132 HydrophobicContact CD1-CB 4.22Å; I123-W132 HydrophobicContact CD1-CD2 4.39Å; I123-W132 HydrophobicContact CD1-CE3 4.22Å; I123-W132 HydrophobicContact CD1-CG 4.41Å; I123-W132 HydrophobicContact CG1-CB 4.28Å; I123-W132 HydrophobicContact CG1-CE3 4.09Å; I123-T133 CarbonylContact C-O 3.58Å; I123-T133 WeakPolarHBondContact CA-O 3.4Å; I123-T133 WeakPolarHBondContact CG1-O 3.31Å; I123-T142 HydrophobicContact CD1-CG2 3.98Å; I123-K143 HydrophobicContact CD1-CB 3.87Å; I123-W146 HydrophobicContact CD1-CE3 4.03Å; I123-W146 HydrophobicContact CD1-CZ3 4.26Å; I123-W146 HydrophobicContact CG2-CH2 4.03Å; I123-W146 HydrophobicContact CG2-CZ3 3.8Å |
| 124 | A | 98.8 | Very high | 98.3 | Very high | 31 Ų | 31 | 56 Ų | 56 | 26% | 0.256 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 137.2 | 180 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q114 W132 T133 | Q114-A124 HydrophobicContact CB-CB 3.8Å; A124-W132 WeakPolarHBondContact O-CA 3.43Å; A124-T133 PolarHBondContact N-O 2.71Å; A124-T133 PolarHBondContact O-N 3.16Å |
| 125 | L | 98.8 | Very high | 98.3 | Very high | 14 Ų | 14 | 55.5 Ų | 55.5 | 7% | 0.073 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 129.4 | 168.8 | -173.7 | 65 | 0 | 0 | 0 | 108.6 | H113 L129 W132 A152 W155 L159 | H113-L125 HydrophobicContact CB-CB 4.06Å; H113-L125 HydrophobicContact CB-CD2 4.22Å; H113-L125 WeakPolarHBondContact O-CB 3.34Å; H113-L125 PolarHBondContact O-N 3.16Å; L125-L129 HydrophobicContact CD2-CB 4.42Å; L125-L129 HydrophobicContact CD2-CD2 3.75Å; L125-L129 HydrophobicContact CG-CD2 4.27Å; L125-W132 HydrophobicContact CB-CE3 3.97Å; L125-W132 HydrophobicContact CB-CH2 4.14Å; L125-W132 HydrophobicContact CB-CZ3 3.64Å; L125-W132 HydrophobicContact CD1-CD2 4.12Å; L125-W132 HydrophobicContact CD1-CE3 4.22Å; L125-W132 HydrophobicContact CD1-CH2 4.03Å; L125-W132 HydrophobicContact CD1-CZ2 3.91Å; L125-W132 HydrophobicContact CD1-CZ3 4.17Å; L125-W132 HydrophobicContact CG-CZ3 4.47Å; L125-A152 HydrophobicContact CD1-CB 3.95Å; L125-W155 HydrophobicContact CD2-CB 4.14Å; L125-L159 HydrophobicContact CD2-CD1 3.97Å |
| 126 | K | 98.4 | Very high | 98.2 | Very high | 90 Ų | 90 | 57.4 Ų | 57.4 | 39% | 0.391 | 31% | 0.313 | S | S | . | . | trans | -72.5 | 165.9 | 178.1 | -63.7 | -162.4 | -157.4 | 166 | 0 | 111.4 | D128 L129 S131 T133 | K126-D128 PolarHBondContact O-N 2.89Å; K126-D128 VanDerWaalsContact O-N 3.13Å; K126-L129 PolarHBondContact O-N 3.18Å; K126-S131 WeakPolarHBondContact CB-O 3.43Å; K126-S131 VanDerWaalsContact CD-OG 3.23Å; K126-S131 WeakPolarHBondContact CD-OG 3.08Å; K126-S131 WeakPolarHBondContact CE-OG 3.31Å; K126-S131 WeakPolarHBondContact CG-O 3.3Å; K126-S131 PolarHBondContact N-O 3.18Å; K126-T133 VanDerWaalsContact CE-OG1 3.25Å; K126-T133 WeakPolarHBondContact CE-OG1 3.1Å; K126-T133 WeakPolarHBondContact CG-OG1 3.23Å | ||
| 127 | E | 97.4 | Very high | 98.1 | Very high | 136 Ų | 136 | 64 Ų | 64 | 64% | 0.636 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -24.4 | 178.2 | -64.1 | -179 | -172.8 | 0 | 0 | 113.4 | R110 L129 | R110-E127 IonicContact CZ-OE1 2.66Å; R110-E127 VanDerWaalsContact NH1-CD 3.25Å; R110-E127 IonicContact NH1-OE1 3.92Å; R110-E127 PolarHBondContact NH1-OE1 3.23Å; R110-E127 IonicContact NH1-OE2 2.72Å; R110-E127 IonicContact NH2-OE1 3.37Å; R110-E127 PolarHBondContact NH2-OE1 3.46Å; E127-L129 PolarHBondContact O-N 2.93Å |
| 128 | D | 97.3 | Very high | 98 | Very high | 78 Ų | 78 | 64.1 Ų | 64.1 | 42% | 0.417 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -10.8 | 174.5 | 67.5 | 13 | 0 | 0 | 0 | 114 | K126 R130 S131 | K126-D128 PolarHBondContact O-N 2.89Å; K126-D128 VanDerWaalsContact O-N 3.13Å; D128-R130 WeakPolarHBondContact O-CG 3.44Å; D128-R130 PolarHBondContact O-N 3.25Å; D128-R130 VanDerWaalsContact O-N 3.14Å; D128-R130 PolarHBondContact OD1-N 2.98Å; D128-S131 PolarHBondContact OD1-N 2.94Å; D128-S131 PolarHBondContact OD1-OG 3.46Å; D128-S131 PolarHBondContact OD2-OG 3.4Å |
| 129 | L | 97.9 | Very high | 98 | Very high | 5 Ų | 5 | 61.2 Ų | 61.2 | 3% | 0.026 | 33% | 0.33 | C | S | . | . | S | Bend | trans | 53.6 | 25 | -174.8 | -51.5 | 178.5 | 0 | 0 | 0 | 114.3 | F108 L125 K126 E127 R156 L159 E160 | F108-L129 HydrophobicContact CE1-CD1 3.89Å; F108-L129 HydrophobicContact CZ-CD1 3.65Å; L125-L129 HydrophobicContact CD2-CB 4.42Å; L125-L129 HydrophobicContact CD2-CD2 3.75Å; L125-L129 HydrophobicContact CG-CD2 4.27Å; K126-L129 PolarHBondContact O-N 3.18Å; E127-L129 PolarHBondContact O-N 2.93Å; L129-R156 HydrophobicContact CB-CB 4.09Å; L129-R156 HydrophobicContact CB-CG 3.93Å; L129-R156 HydrophobicContact CD1-CG 4.13Å; L129-L159 HydrophobicContact CD2-CD1 4.11Å; L129-E160 HydrophobicContact CD1-CG 4.01Å |
| 130 | R | 97.5 | Very high | 98.1 | Very high | 169 Ų | 169 | 61.1 Ų | 61.1 | 64% | 0.638 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -128.6 | -30.9 | -175.8 | -70 | 174.2 | -170.2 | -154.6 | 4 | 112.3 | D128 A152 | D128-R130 WeakPolarHBondContact O-CG 3.44Å; D128-R130 PolarHBondContact O-N 3.25Å; D128-R130 VanDerWaalsContact O-N 3.14Å; D128-R130 PolarHBondContact OD1-N 2.98Å; R130-A152 WeakPolarHBondContact O-CB 3.38Å |
| 131 | S | 97.4 | Very high | 98 | Very high | 27 Ų | 27 | 56.2 Ų | 56.2 | 19% | 0.189 | 30% | 0.297 | C | S | . | . | trans | -121.5 | 161.4 | -175.8 | 71.2 | 0 | 0 | 0 | 0 | 112.4 | K126 D128 | K126-S131 WeakPolarHBondContact CB-O 3.43Å; K126-S131 VanDerWaalsContact CD-OG 3.23Å; K126-S131 WeakPolarHBondContact CD-OG 3.08Å; K126-S131 WeakPolarHBondContact CE-OG 3.31Å; K126-S131 WeakPolarHBondContact CG-O 3.3Å; K126-S131 PolarHBondContact N-O 3.18Å; D128-S131 PolarHBondContact OD1-N 2.94Å; D128-S131 PolarHBondContact OD1-OG 3.46Å; D128-S131 PolarHBondContact OD2-OG 3.4Å | ||
| 132 | W | 98.6 | Very high | 98 | Very high | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.008 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 143 | -176.9 | -58.1 | 90.7 | 0 | 0 | 0 | 111.9 | H113 I123 A124 L125 K143 W146 V151 A152 | H113-W132 AromaticContact ND1-CH2 3.42Å; H113-W132 WeakPolarHBondContact ND1-CH2 3.34Å; H113-W132 AromaticContact ND1-CZ3 3.78Å; I123-W132 HydrophobicContact CD1-CB 4.22Å; I123-W132 HydrophobicContact CD1-CD2 4.39Å; I123-W132 HydrophobicContact CD1-CE3 4.22Å; I123-W132 HydrophobicContact CD1-CG 4.41Å; I123-W132 HydrophobicContact CG1-CB 4.28Å; I123-W132 HydrophobicContact CG1-CE3 4.09Å; A124-W132 WeakPolarHBondContact O-CA 3.43Å; L125-W132 HydrophobicContact CB-CE3 3.97Å; L125-W132 HydrophobicContact CB-CH2 4.14Å; L125-W132 HydrophobicContact CB-CZ3 3.64Å; L125-W132 HydrophobicContact CD1-CD2 4.12Å; L125-W132 HydrophobicContact CD1-CE3 4.22Å; L125-W132 HydrophobicContact CD1-CH2 4.03Å; L125-W132 HydrophobicContact CD1-CZ2 3.91Å; L125-W132 HydrophobicContact CD1-CZ3 4.17Å; L125-W132 HydrophobicContact CG-CZ3 4.47Å; W132-K143 HydrophobicContact CB-CD 4.2Å; W132-K143 HydrophobicContact CB-CG 4.06Å; W132-K143 PolarHBondContact O-NZ 2.85Å; W132-W146 AromaticContact CD2-CE3 3.93Å; W132-W146 HydrophobicContact CD2-CE3 3.93Å; W132-W146 HydrophobicContact CD2-CZ3 4.48Å; W132-W146 AromaticContact CE2-CE3 3.78Å; W132-W146 AromaticContact CE3-CE3 3.76Å; W132-W146 HydrophobicContact CE3-CE3 3.76Å; W132-W146 AromaticContact CE3-CZ3 3.85Å; W132-W146 HydrophobicContact CE3-CZ3 3.85Å; W132-W146 HydrophobicContact CH2-CD2 4.47Å; W132-W146 AromaticContact CH2-CE3 3.31Å; W132-W146 HydrophobicContact CH2-CE3 3.31Å; W132-W146 AromaticContact CH2-CZ3 3.39Å; W132-W146 HydrophobicContact CH2-CZ3 3.39Å; W132-W146 HydrophobicContact CZ2-CD2 4.41Å; W132-W146 AromaticContact CZ2-CE3 3.5Å; W132-W146 HydrophobicContact CZ2-CE3 3.5Å; W132-W146 VanDerWaalsContact CZ2-CE3 3.5Å; W132-W146 HydrophobicContact CZ2-CZ3 4.08Å; 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 3.27Å; W132-W146 HydrophobicContact CZ3-CZ3 3.27Å; W132-V151 HydrophobicContact CH2-CG1 4.31Å; W132-V151 HydrophobicContact CZ2-CB 4.21Å; W132-V151 HydrophobicContact CZ2-CG1 3.92Å; W132-A152 HydrophobicContact CZ2-CB 4.19Å |
| 133 | T | 98.6 | Very high | 98 | Very high | 75 Ų | 75 | 52.9 Ų | 52.9 | 46% | 0.46 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 122 | 164.5 | -60.3 | 0 | 0 | 0 | 0 | 108.3 | I123 A124 K126 | I123-T133 CarbonylContact C-O 3.58Å; I123-T133 WeakPolarHBondContact CA-O 3.4Å; I123-T133 WeakPolarHBondContact CG1-O 3.31Å; A124-T133 PolarHBondContact N-O 2.71Å; A124-T133 PolarHBondContact O-N 3.16Å; K126-T133 VanDerWaalsContact CE-OG1 3.25Å; K126-T133 WeakPolarHBondContact CE-OG1 3.1Å; K126-T133 WeakPolarHBondContact CG-OG1 3.23Å |
| 134 | A | 98.6 | Very high | 98 | Very high | 17 Ų | 17 | 58.1 Ų | 58.1 | 14% | 0.14 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 134.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | A139 Q140 K143 | A134-A139 HydrophobicContact CB-CB 3.7Å; A134-Q140 HydrophobicContact CB-CG 4.39Å; A134-K143 HydrophobicContact CB-CB 4.3Å; A134-K143 HydrophobicContact CB-CD 4.17Å |
| 135 | A | 98.3 | Very high | 97.9 | Very high | 58 Ų | 58 | 62.5 Ų | 62.5 | 48% | 0.479 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -76.9 | -31.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | D121 Y122 | D121-A135 HydrophobicContact CB-CB 4.32Å; D121-A135 WeakPolarHBondContact O-CB 3.3Å; Y122-A135 WeakPolarHBondContact O-CB 3.44Å; Y122-A135 PolarHBondContact O-N 3.16Å |
| 136 | D | 97.8 | Very high | 97.9 | Very high | 60 Ų | 60 | 64.3 Ų | 64.3 | 32% | 0.321 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -151.7 | -173.6 | -179 | 65.5 | 26.5 | 0 | 0 | 0 | 112.8 | Y84 A138 A139 Q140 | Y84-D136 VanDerWaalsContact CE1-OD2 3.3Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.15Å; Y84-D136 PolarHBondContact OH-OD1 3.47Å; Y84-D136 PolarHBondContact OH-OD2 2.99Å; D136-A138 VanDerWaalsContact C-N 3.35Å; D136-A138 PolarHBondContact O-N 2.75Å; D136-A138 WeakPolarHBondContact OD1-CA 3.49Å; D136-A138 WeakPolarHBondContact OD1-CB 2.81Å; D136-A138 PolarHBondContact OD1-N 3.24Å; D136-A139 WeakPolarHBondContact O-CB 3.24Å; D136-A139 PolarHBondContact O-N 2.85Å; D136-A139 PolarHBondContact OD1-N 2.89Å; D136-Q140 WeakPolarHBondContact O-CG 3.32Å; D136-Q140 PolarHBondContact O-N 2.97Å |
| 137 | M | 96.6 | Very high | 97.9 | Very high | 156 Ų | 156 | 63.7 Ų | 63.7 | 77% | 0.768 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -65.1 | -32.7 | -178.6 | -67.1 | -55.3 | -60.1 | 0 | 0 | 113.7 | Q140 | M137-Q140 PolarHBondContact O-N 3.19Å; M137-Q140 HydrophobicContact SD-CG 4.49Å |
| 138 | A | 96.6 | Very high | 97.9 | Very high | 12 Ų | 12 | 61.1 Ų | 61.1 | 10% | 0.099 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -67.7 | -44 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y84 Y122 D136 Q140 T141 | Y84-A138 HydrophobicContact CD1-CB 4.12Å; Y84-A138 HydrophobicContact CE1-CB 3.55Å; Y84-A138 HydrophobicContact CE2-CB 3.99Å; Y84-A138 VanDerWaalsContact CZ-CB 3.48Å; Y122-A138 HydrophobicContact CE2-CB 4.43Å; Y122-A138 PolarHBondContact OH-O 3.27Å; D136-A138 VanDerWaalsContact C-N 3.35Å; D136-A138 PolarHBondContact O-N 2.75Å; D136-A138 WeakPolarHBondContact OD1-CA 3.49Å; D136-A138 WeakPolarHBondContact OD1-CB 2.81Å; D136-A138 PolarHBondContact OD1-N 3.24Å; A138-Q140 VanDerWaalsContact C-N 3.29Å; A138-Q140 PolarHBondContact O-N 3.09Å; A138-T141 VanDerWaalsContact O-CB 3.26Å; A138-T141 WeakPolarHBondContact O-CB 3.42Å; A138-T141 PolarHBondContact O-N 3.29Å |
| 139 | A | 98.2 | Very high | 98 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.3 | -31 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y122 A134 D136 T141 T142 K143 | Y122-A139 HydrophobicContact CD2-CB 3.72Å; Y122-A139 VanDerWaalsContact CE2-CA 3.44Å; Y122-A139 HydrophobicContact CE2-CB 3.58Å; Y122-A139 HydrophobicContact CG-CB 4.3Å; Y122-A139 WeakPolarHBondContact O-CB 3.45Å; A134-A139 HydrophobicContact CB-CB 3.7Å; D136-A139 WeakPolarHBondContact O-CB 3.24Å; D136-A139 PolarHBondContact O-N 2.85Å; D136-A139 PolarHBondContact OD1-N 2.89Å; A139-T141 PolarHBondContact O-N 2.82Å; A139-T142 PolarHBondContact O-N 3.18Å; A139-T142 VanDerWaalsContact O-N 3.15Å; A139-K143 PolarHBondContact O-N 2.89Å |
| 140 | Q | 98.3 | Very high | 98 | Very high | 57 Ų | 57 | 64.8 Ų | 64.8 | 27% | 0.266 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -58.1 | -35.4 | 172.6 | -66.2 | -62.4 | -20.1 | 0 | 0 | 112 | A134 D136 M137 A138 T142 K143 H144 | A134-Q140 HydrophobicContact CB-CG 4.39Å; D136-Q140 WeakPolarHBondContact O-CG 3.32Å; D136-Q140 PolarHBondContact O-N 2.97Å; M137-Q140 PolarHBondContact O-N 3.19Å; M137-Q140 HydrophobicContact SD-CG 4.49Å; A138-Q140 VanDerWaalsContact C-N 3.29Å; A138-Q140 PolarHBondContact O-N 3.09Å; Q140-T142 PolarHBondContact O-N 3.46Å; Q140-K143 WeakPolarHBondContact O-CB 3.11Å; Q140-K143 PolarHBondContact O-N 2.94Å; Q140-H144 PolarHBondContact O-CD2 3.25Å; Q140-H144 PolarHBondContact O-N 3.2Å |
| 141 | T | 97.4 | Very high | 98 | Very high | 58 Ų | 58 | 57.7 Ų | 57.7 | 36% | 0.356 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.7 | -44.5 | 176.7 | -57.4 | 0 | 0 | 0 | 0 | 111.2 | Y83 A138 A139 K145 | Y83-T141 HydrophobicContact CE1-CG2 4.23Å; Y83-T141 HydrophobicContact CE2-CG2 4.05Å; A138-T141 VanDerWaalsContact O-CB 3.26Å; A138-T141 WeakPolarHBondContact O-CB 3.42Å; A138-T141 PolarHBondContact O-N 3.29Å; A139-T141 PolarHBondContact O-N 2.82Å; T141-K145 WeakPolarHBondContact O-CG 3.4Å; T141-K145 PolarHBondContact O-N 3.42Å |
| 142 | T | 98.1 | Very high | 98 | Very high | 18 Ų | 18 | 56.7 Ų | 56.7 | 11% | 0.11 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.5 | -43 | 174.3 | -69.1 | 0 | 0 | 0 | 0 | 111.4 | Y122 I123 A139 Q140 H144 K145 W146 | Y122-T142 HydrophobicContact CE1-CG2 4.18Å; Y122-T142 WeakPolarHBondContact OH-CB 3.36Å; Y122-T142 PolarHBondContact OH-OG1 3.28Å; I123-T142 HydrophobicContact CD1-CG2 3.98Å; A139-T142 PolarHBondContact O-N 3.18Å; A139-T142 VanDerWaalsContact O-N 3.15Å; Q140-T142 PolarHBondContact O-N 3.46Å; T142-H144 PolarHBondContact O-N 3.04Å; T142-K145 PolarHBondContact O-N 3.47Å; T142-W146 HydrophobicContact CG2-CD2 3.85Å; T142-W146 HydrophobicContact CG2-CE3 4.37Å; T142-W146 HydrophobicContact CG2-CG 4.16Å; T142-W146 HydrophobicContact CG2-CH2 4.43Å; T142-W146 HydrophobicContact CG2-CZ2 3.96Å; T142-W146 WeakPolarHBondContact O-CB 3.37Å; T142-W146 PolarHBondContact O-N 3.37Å |
| 143 | K | 98.6 | Very high | 98 | Very high | 43 Ų | 43 | 62.4 Ų | 62.4 | 19% | 0.187 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -54.9 | -51.6 | 177.8 | 173.6 | 174.6 | 171.8 | -172.8 | 0 | 111.8 | I123 W132 A134 A139 Q140 K145 W146 E147 | I123-K143 HydrophobicContact CD1-CB 3.87Å; W132-K143 HydrophobicContact CB-CD 4.2Å; W132-K143 HydrophobicContact CB-CG 4.06Å; W132-K143 PolarHBondContact O-NZ 2.85Å; A134-K143 HydrophobicContact CB-CB 4.3Å; A134-K143 HydrophobicContact CB-CD 4.17Å; A139-K143 PolarHBondContact O-N 2.89Å; Q140-K143 WeakPolarHBondContact O-CB 3.11Å; Q140-K143 PolarHBondContact O-N 2.94Å; K143-K145 VanDerWaalsContact C-N 3.32Å; K143-K145 PolarHBondContact O-N 2.74Å; K143-W146 PolarHBondContact O-N 2.81Å; K143-W146 VanDerWaalsContact O-N 3.14Å; K143-E147 WeakPolarHBondContact CE-OE1 3.32Å; K143-E147 HydrophobicContact CG-CG 4.3Å; K143-E147 IonicContact NZ-OE1 3.64Å; K143-E147 WeakPolarHBondContact O-CB 3.41Å; K143-E147 WeakPolarHBondContact O-CG 3.4Å; K143-E147 PolarHBondContact O-N 3.44Å |
| 144 | H | 98.4 | Very high | 98 | Very high | 114 Ų | 114 | 65 Ų | 65 | 53% | 0.528 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60.5 | -40.2 | 179.2 | -69.3 | -44.5 | 0 | 0 | 0 | 112.7 | Q140 T142 E147 A148 | Q140-H144 PolarHBondContact O-CD2 3.25Å; Q140-H144 PolarHBondContact O-N 3.2Å; T142-H144 PolarHBondContact O-N 3.04Å; H144-E147 IonicContact ND1-OE2 3.31Å; H144-A148 WeakPolarHBondContact O-CB 3.35Å; H144-A148 PolarHBondContact O-N 3.05Å |
| 145 | K | 97.9 | Very high | 97.9 | Very high | 123 Ų | 123 | 66.2 Ų | 66.2 | 54% | 0.535 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.6 | -43 | 175.1 | -72.3 | 177.7 | 176.7 | -176.4 | 0 | 111.9 | Y83 T141 T142 K143 A149 | Y83-K145 PolarHBondContact OH-NZ 2.82Å; T141-K145 WeakPolarHBondContact O-CG 3.4Å; T141-K145 PolarHBondContact O-N 3.42Å; T142-K145 PolarHBondContact O-N 3.47Å; K143-K145 VanDerWaalsContact C-N 3.32Å; K143-K145 PolarHBondContact O-N 2.74Å; K145-A149 WeakPolarHBondContact O-CB 3.42Å; K145-A149 PolarHBondContact O-N 2.8Å; K145-A149 VanDerWaalsContact O-N 3.08Å |
| 146 | W | 98.3 | Very high | 98 | Very high | 53 Ų | 53 | 67.1 Ų | 67.1 | 20% | 0.201 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -73.3 | -34.5 | -178.5 | -77.5 | 12.6 | 0 | 0 | 0 | 113.2 | Y115 I123 W132 T142 K143 A149 H150 V151 | Y115-W146 AromaticContact CD2-CH2 3.81Å; Y115-W146 HydrophobicContact CD2-CH2 3.81Å; Y115-W146 HydrophobicContact CD2-CZ3 4.48Å; Y115-W146 AromaticContact CE2-CH2 3.47Å; Y115-W146 HydrophobicContact CE2-CH2 3.47Å; Y115-W146 VanDerWaalsContact CE2-CH2 3.47Å; Y115-W146 HydrophobicContact CE2-CZ2 4.31Å; Y115-W146 HydrophobicContact CE2-CZ3 4.33Å; I123-W146 HydrophobicContact CD1-CE3 4.03Å; I123-W146 HydrophobicContact CD1-CZ3 4.26Å; I123-W146 HydrophobicContact CG2-CH2 4.03Å; I123-W146 HydrophobicContact CG2-CZ3 3.8Å; W132-W146 AromaticContact CD2-CE3 3.93Å; W132-W146 HydrophobicContact CD2-CE3 3.93Å; W132-W146 HydrophobicContact CD2-CZ3 4.48Å; W132-W146 AromaticContact CE2-CE3 3.78Å; W132-W146 AromaticContact CE3-CE3 3.76Å; W132-W146 HydrophobicContact CE3-CE3 3.76Å; W132-W146 AromaticContact CE3-CZ3 3.85Å; W132-W146 HydrophobicContact CE3-CZ3 3.85Å; W132-W146 HydrophobicContact CH2-CD2 4.47Å; W132-W146 AromaticContact CH2-CE3 3.31Å; W132-W146 HydrophobicContact CH2-CE3 3.31Å; W132-W146 AromaticContact CH2-CZ3 3.39Å; W132-W146 HydrophobicContact CH2-CZ3 3.39Å; W132-W146 HydrophobicContact CZ2-CD2 4.41Å; W132-W146 AromaticContact CZ2-CE3 3.5Å; W132-W146 HydrophobicContact CZ2-CE3 3.5Å; W132-W146 VanDerWaalsContact CZ2-CE3 3.5Å; W132-W146 HydrophobicContact CZ2-CZ3 4.08Å; 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 3.27Å; W132-W146 HydrophobicContact CZ3-CZ3 3.27Å; T142-W146 HydrophobicContact CG2-CD2 3.85Å; T142-W146 HydrophobicContact CG2-CE3 4.37Å; T142-W146 HydrophobicContact CG2-CG 4.16Å; T142-W146 HydrophobicContact CG2-CH2 4.43Å; T142-W146 HydrophobicContact CG2-CZ2 3.96Å; T142-W146 WeakPolarHBondContact O-CB 3.37Å; T142-W146 PolarHBondContact O-N 3.37Å; K143-W146 PolarHBondContact O-N 2.81Å; K143-W146 VanDerWaalsContact O-N 3.14Å; W146-A149 CarbonylContact O-C 3.57Å; W146-A149 PolarHBondContact O-N 2.87Å; W146-H150 PolarHBondContact O-N 2.82Å; W146-H150 VanDerWaalsContact O-N 3.11Å; W146-V151 HydrophobicContact CB-CB 3.94Å; W146-V151 HydrophobicContact CB-CG2 3.95Å; W146-V151 HydrophobicContact CD2-CB 4.46Å; W146-V151 HydrophobicContact CD2-CG1 4.12Å; W146-V151 HydrophobicContact CE3-CG1 4.31Å; W146-V151 HydrophobicContact CG-CB 4.09Å; W146-V151 HydrophobicContact CG-CG1 4.25Å; W146-V151 HydrophobicContact CG-CG2 3.92Å; W146-V151 PolarHBondContact O-N 2.83Å |
| 147 | E | 98.4 | Very high | 98 | Very high | 77 Ų | 77 | 67.4 Ų | 67.4 | 36% | 0.36 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.3 | -48.2 | 172.1 | -73.2 | 173.9 | 161.9 | 0 | 0 | 110.8 | K143 H144 A149 H150 | K143-E147 WeakPolarHBondContact CE-OE1 3.32Å; K143-E147 HydrophobicContact CG-CG 4.3Å; K143-E147 IonicContact NZ-OE1 3.64Å; K143-E147 WeakPolarHBondContact O-CB 3.41Å; K143-E147 WeakPolarHBondContact O-CG 3.4Å; K143-E147 PolarHBondContact O-N 3.44Å; H144-E147 IonicContact ND1-OE2 3.31Å; E147-A149 PolarHBondContact O-N 2.85Å; E147-H150 PolarHBondContact O-N 2.81Å; E147-H150 VanDerWaalsContact O-N 3.08Å |
| 148 | A | 98.2 | Very high | 98 | Very high | 81 Ų | 81 | 61.5 Ų | 61.5 | 67% | 0.669 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -62 | -29.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | H144 | H144-A148 WeakPolarHBondContact O-CB 3.35Å; H144-A148 PolarHBondContact O-N 3.05Å |
| 149 | A | 98.1 | Very high | 98.1 | Very high | 54 Ų | 54 | 60.9 Ų | 60.9 | 45% | 0.446 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | 7.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | K145 W146 E147 V151 | K145-A149 WeakPolarHBondContact O-CB 3.42Å; K145-A149 PolarHBondContact O-N 2.8Å; K145-A149 VanDerWaalsContact O-N 3.08Å; W146-A149 CarbonylContact O-C 3.57Å; W146-A149 PolarHBondContact O-N 2.87Å; E147-A149 PolarHBondContact O-N 2.85Å; A149-V151 HydrophobicContact CB-CG2 3.95Å; A149-V151 PolarHBondContact O-N 2.91Å; A149-V151 VanDerWaalsContact O-N 3.15Å |
| 150 | H | 97.5 | Very high | 98.1 | Very high | 106 Ų | 106 | 64.7 Ų | 64.7 | 49% | 0.491 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | 35.5 | 179.8 | -62.7 | -91.6 | 0 | 0 | 0 | 113.9 | W146 E147 A152 E153 | W146-H150 PolarHBondContact O-N 2.82Å; W146-H150 VanDerWaalsContact O-N 3.11Å; E147-H150 PolarHBondContact O-N 2.81Å; E147-H150 VanDerWaalsContact O-N 3.08Å; H150-A152 PolarHBondContact O-N 2.85Å; H150-E153 HydrophobicContact CB-CG 4.49Å; H150-E153 IonicContact CE1-OE1 3.88Å; H150-E153 IonicContact CG-OE1 3.73Å; H150-E153 IonicContact ND1-OE1 2.9Å; H150-E153 PolarHBondContact ND1-OE1 2.83Å; H150-E153 PolarHBondContact O-N 2.86Å; H150-E153 VanDerWaalsContact O-N 3.14Å |
| 151 | V | 98.3 | Very high | 98.1 | Very high | 20 Ų | 20 | 63 Ų | 63 | 12% | 0.121 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.3 | -32.2 | -175.2 | 175.9 | 0 | 0 | 0 | 0 | 111.4 | W132 W146 A149 E153 Q154 W155 | W132-V151 HydrophobicContact CH2-CG1 4.31Å; W132-V151 HydrophobicContact CZ2-CB 4.21Å; W132-V151 HydrophobicContact CZ2-CG1 3.92Å; W146-V151 HydrophobicContact CB-CB 3.94Å; W146-V151 HydrophobicContact CB-CG2 3.95Å; W146-V151 HydrophobicContact CD2-CB 4.46Å; W146-V151 HydrophobicContact CD2-CG1 4.12Å; W146-V151 HydrophobicContact CE3-CG1 4.31Å; W146-V151 HydrophobicContact CG-CB 4.09Å; W146-V151 HydrophobicContact CG-CG1 4.25Å; W146-V151 HydrophobicContact CG-CG2 3.92Å; W146-V151 PolarHBondContact O-N 2.83Å; A149-V151 HydrophobicContact CB-CG2 3.95Å; A149-V151 PolarHBondContact O-N 2.91Å; A149-V151 VanDerWaalsContact O-N 3.15Å; V151-E153 VanDerWaalsContact C-N 3.32Å; V151-E153 PolarHBondContact O-N 2.95Å; V151-Q154 PolarHBondContact O-N 3.08Å; V151-W155 VanDerWaalsContact O-CD1 3.27Å; V151-W155 PolarHBondContact O-N 2.9Å; V151-W155 VanDerWaalsContact O-N 3.14Å |
| 152 | A | 98.4 | Very high | 98.1 | Very high | 6 Ų | 6 | 66.9 Ų | 66.9 | 5% | 0.05 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.1 | -39.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L125 R130 W132 H150 Q154 W155 R156 | L125-A152 HydrophobicContact CD1-CB 3.95Å; R130-A152 WeakPolarHBondContact O-CB 3.38Å; W132-A152 HydrophobicContact CZ2-CB 4.19Å; H150-A152 PolarHBondContact O-N 2.85Å; A152-Q154 PolarHBondContact O-N 2.9Å; A152-W155 PolarHBondContact O-N 2.74Å; A152-R156 WeakPolarHBondContact O-CB 3.32Å; A152-R156 PolarHBondContact O-N 3Å |
| 153 | E | 98 | Very high | 98.2 | Very high | 123 Ų | 123 | 66 Ų | 66 | 58% | 0.575 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -65.8 | -40.2 | -179.4 | -64.8 | 173.2 | -154.6 | 0 | 0 | 111.7 | H150 V151 R156 A157 | H150-E153 HydrophobicContact CB-CG 4.49Å; H150-E153 IonicContact CE1-OE1 3.88Å; H150-E153 IonicContact CG-OE1 3.73Å; H150-E153 IonicContact ND1-OE1 2.9Å; H150-E153 PolarHBondContact ND1-OE1 2.83Å; H150-E153 PolarHBondContact O-N 2.86Å; H150-E153 VanDerWaalsContact O-N 3.14Å; V151-E153 VanDerWaalsContact C-N 3.32Å; V151-E153 PolarHBondContact O-N 2.95Å; E153-R156 PolarHBondContact O-N 3.49Å; E153-A157 PolarHBondContact O-N 2.86Å |
| 154 | Q | 97.4 | Very high | 98.1 | Very high | 129 Ų | 129 | 64.4 Ų | 64.4 | 60% | 0.603 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -63.4 | -43.4 | 175.8 | -59.5 | 179.3 | 11.7 | 0 | 0 | 111.5 | V151 A152 Y158 | V151-Q154 PolarHBondContact O-N 3.08Å; A152-Q154 PolarHBondContact O-N 2.9Å; Q154-Y158 PolarHBondContact O-N 2.8Å; Q154-Y158 VanDerWaalsContact O-N 3.13Å |
| 155 | W | 98.2 | Very high | 98.1 | Very high | 42 Ų | 42 | 64.9 Ų | 64.9 | 16% | 0.159 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -68 | -42 | 177.3 | -82.7 | 100 | 0 | 0 | 0 | 112 | Y98 H113 L125 V151 A152 A157 Y158 L159 | Y98-W155 AromaticContact CD2-CZ3 3.99Å; Y98-W155 HydrophobicContact CD2-CZ3 3.99Å; Y98-W155 HydrophobicContact CG-CZ3 4.19Å; H113-W155 HydrophobicContact CB-CD2 4.39Å; H113-W155 HydrophobicContact CB-CE3 4.41Å; H113-W155 AromaticContact CE1-CD1 3.57Å; H113-W155 AromaticContact CE1-CD2 3.74Å; H113-W155 AromaticContact CE1-CE2 3.27Å; H113-W155 AromaticContact CE1-CG 3.97Å; H113-W155 AromaticContact CE1-CZ2 3.89Å; H113-W155 AromaticContact CE1-NE1 3.08Å; H113-W155 PolarHBondContact CE1-NE1 3.28Å; H113-W155 AromaticContact CG-CD2 3.82Å; H113-W155 AromaticContact ND1-CD1 3.43Å; H113-W155 AromaticContact ND1-CD2 3.5Å; H113-W155 AromaticContact ND1-CE2 3.57Å; H113-W155 AromaticContact ND1-CG 3.5Å; H113-W155 AromaticContact ND1-NE1 3.43Å; H113-W155 PolarHBondContact ND1-NE1 3.3Å; H113-W155 AromaticContact NE2-CE2 3.61Å; H113-W155 AromaticContact NE2-CZ2 3.77Å; H113-W155 AromaticContact NE2-NE1 3.86Å; L125-W155 HydrophobicContact CD2-CB 4.14Å; V151-W155 VanDerWaalsContact O-CD1 3.27Å; V151-W155 PolarHBondContact O-N 2.9Å; V151-W155 VanDerWaalsContact O-N 3.14Å; A152-W155 PolarHBondContact O-N 2.74Å; W155-A157 VanDerWaalsContact C-N 3.34Å; W155-A157 PolarHBondContact O-N 3.47Å; W155-Y158 AromaticContact CE3-CD1 3.91Å; W155-Y158 HydrophobicContact CE3-CD1 3.91Å; W155-Y158 AromaticContact CZ3-CD1 3.57Å; W155-Y158 HydrophobicContact CZ3-CD1 3.57Å; W155-Y158 AromaticContact CZ3-CE1 3.94Å; W155-Y158 HydrophobicContact CZ3-CE1 3.94Å; W155-Y158 HydrophobicContact CZ3-CG 4.29Å; W155-Y158 PolarHBondContact O-N 3.06Å; W155-L159 HydrophobicContact CB-CD1 4.41Å; W155-L159 HydrophobicContact CE3-CG 4.42Å; W155-L159 VanDerWaalsContact O-CB 3.31Å; W155-L159 WeakPolarHBondContact O-CB 2.87Å; W155-L159 WeakPolarHBondContact O-CG 3.45Å; W155-L159 PolarHBondContact O-N 3.17Å |
| 156 | R | 98.4 | Very high | 98.1 | Very high | 77 Ų | 77 | 62.3 Ų | 62.3 | 29% | 0.291 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -56.7 | -48.3 | 174.6 | -175.4 | 174.8 | 178.6 | -146.5 | -13 | 111.6 | L129 A152 E153 Y158 L159 E160 | L129-R156 HydrophobicContact CB-CB 4.09Å; L129-R156 HydrophobicContact CB-CG 3.93Å; L129-R156 HydrophobicContact CD1-CG 4.13Å; A152-R156 WeakPolarHBondContact O-CB 3.32Å; A152-R156 PolarHBondContact O-N 3Å; E153-R156 PolarHBondContact O-N 3.49Å; R156-Y158 VanDerWaalsContact C-N 3.31Å; R156-Y158 PolarHBondContact O-N 2.78Å; R156-L159 PolarHBondContact O-N 3.19Å; R156-E160 HydrophobicContact CG-CG 4.17Å; R156-E160 WeakPolarHBondContact CG-OE1 3.19Å; R156-E160 IonicContact CZ-OE1 3.55Å; R156-E160 IonicContact CZ-OE2 3.83Å; R156-E160 IonicContact NE-OE1 2.81Å; R156-E160 PolarHBondContact NE-OE1 2.8Å; R156-E160 IonicContact NE-OE2 3.39Å; R156-E160 PolarHBondContact NE-OE2 3.14Å; R156-E160 IonicContact NH2-OE1 3.38Å; R156-E160 PolarHBondContact NH2-OE1 3.36Å; R156-E160 IonicContact NH2-OE2 3.51Å; R156-E160 WeakPolarHBondContact O-CB 3.41Å; R156-E160 PolarHBondContact O-N 3.49Å |
| 157 | A | 98.3 | Very high | 98.1 | Very high | 67 Ų | 67 | 59.8 Ų | 59.8 | 55% | 0.554 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -61 | -38 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | E153 W155 G161 | E153-A157 PolarHBondContact O-N 2.86Å; W155-A157 VanDerWaalsContact C-N 3.34Å; W155-A157 PolarHBondContact O-N 3.47Å; A157-G161 PolarHBondContact O-N 2.8Å |
| 158 | Y | 98.2 | Very high | 98 | Very high | 31 Ų | 31 | 61.6 Ų | 61.6 | 12% | 0.122 | 31% | 0.311 | C | S | . | . | I | π-helix | trans | -68.3 | -46.8 | 173.9 | 171.2 | -98.1 | 0 | 0 | 0 | 112.4 | Y98 Q154 W155 R156 R162 C163 | Y98-Y158 AromaticContact CD2-CE1 3.89Å; Y98-Y158 HydrophobicContact CD2-CE1 3.89Å; Y98-Y158 AromaticContact CE2-CE1 3.84Å; Y98-Y158 HydrophobicContact CE2-CE1 3.84Å; Q154-Y158 PolarHBondContact O-N 2.8Å; Q154-Y158 VanDerWaalsContact O-N 3.13Å; W155-Y158 AromaticContact CE3-CD1 3.91Å; W155-Y158 HydrophobicContact CE3-CD1 3.91Å; W155-Y158 AromaticContact CZ3-CD1 3.57Å; W155-Y158 HydrophobicContact CZ3-CD1 3.57Å; W155-Y158 AromaticContact CZ3-CE1 3.94Å; W155-Y158 HydrophobicContact CZ3-CE1 3.94Å; W155-Y158 HydrophobicContact CZ3-CG 4.29Å; W155-Y158 PolarHBondContact O-N 3.06Å; R156-Y158 VanDerWaalsContact C-N 3.31Å; R156-Y158 PolarHBondContact O-N 2.78Å; Y158-R162 HydrophobicContact CD2-CB 3.9Å; Y158-R162 HydrophobicContact CE2-CB 4.15Å; Y158-R162 PolarHBondContact O-N 2.72Å; Y158-R162 VanDerWaalsContact O-N 3.16Å; Y158-C163 HydrophobicContact CD1-CB 4.34Å; Y158-C163 HydrophobicContact CE1-CB 3.91Å; Y158-C163 WeakPolarHBondContact O-CB 3.16Å; Y158-C163 PolarHBondContact O-N 2.75Å |
| 159 | L | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 30% | 0.301 | C | S | . | . | I | π-helix | trans | -70.8 | -43.5 | -172.8 | -69.6 | 170.9 | 0 | 0 | 0 | 112.3 | G99 F108 L125 L129 W155 R156 | G99-L159 WeakPolarHBondContact O-CD2 3.42Å; F108-L159 HydrophobicContact CE2-CB 4.36Å; F108-L159 WeakPolarHBondContact CE2-O 3.3Å; L125-L159 HydrophobicContact CD2-CD1 3.97Å; L129-L159 HydrophobicContact CD2-CD1 4.11Å; W155-L159 HydrophobicContact CB-CD1 4.41Å; W155-L159 HydrophobicContact CE3-CG 4.42Å; W155-L159 VanDerWaalsContact O-CB 3.31Å; W155-L159 WeakPolarHBondContact O-CB 2.87Å; W155-L159 WeakPolarHBondContact O-CG 3.45Å; W155-L159 PolarHBondContact O-N 3.17Å; R156-L159 PolarHBondContact O-N 3.19Å |
| 160 | E | 98.2 | Very high | 98 | Very high | 79 Ų | 79 | 61 Ų | 61 | 37% | 0.369 | 28% | 0.28 | S | S | . | . | I | π-helix | trans | -76.9 | -25 | 178.7 | -67 | -179.9 | 178.1 | 0 | 0 | 112.4 | F108 L129 R156 | F108-E160 HydrophobicContact CD1-CG 4.08Å; F108-E160 HydrophobicContact CE1-CG 3.94Å; F108-E160 HydrophobicContact CE2-CG 4.41Å; F108-E160 HydrophobicContact CG-CG 4.37Å; F108-E160 HydrophobicContact CZ-CG 4.1Å; L129-E160 HydrophobicContact CD1-CG 4.01Å; R156-E160 HydrophobicContact CG-CG 4.17Å; R156-E160 WeakPolarHBondContact CG-OE1 3.19Å; R156-E160 IonicContact CZ-OE1 3.55Å; R156-E160 IonicContact CZ-OE2 3.83Å; R156-E160 IonicContact NE-OE1 2.81Å; R156-E160 PolarHBondContact NE-OE1 2.8Å; R156-E160 IonicContact NE-OE2 3.39Å; R156-E160 PolarHBondContact NE-OE2 3.14Å; R156-E160 IonicContact NH2-OE1 3.38Å; R156-E160 PolarHBondContact NH2-OE1 3.36Å; R156-E160 IonicContact NH2-OE2 3.51Å; R156-E160 WeakPolarHBondContact O-CB 3.41Å; R156-E160 PolarHBondContact O-N 3.49Å |
| 161 | G | 97.9 | Very high | 97.9 | Very high | 23 Ų | 23 | 56 Ų | 56 | 24% | 0.237 | 26% | 0.257 | C | S | . | . | I | π-helix | trans | -107.6 | -93.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113 | A157 C163 V164 E165 | A157-G161 PolarHBondContact O-N 2.8Å; G161-C163 VanDerWaalsContact C-N 3.27Å; G161-C163 PolarHBondContact O-N 3.36Å; G161-C163 VanDerWaalsContact O-N 3.14Å; G161-V164 WeakPolarHBondContact O-CB 3.46Å; G161-V164 PolarHBondContact O-N 3.34Å; G161-E165 PolarHBondContact O-N 3.03Å |
| 162 | R | 97.6 | Very high | 97.8 | Very high | 139 Ų | 139 | 60.9 Ų | 60.9 | 53% | 0.525 | 28% | 0.278 | S | S | . | . | I | π-helix | trans | -54.7 | -38.1 | -170.2 | -69.8 | -170.1 | -66.5 | 175 | -0.1 | 113.9 | Y158 E165 W166 | Y158-R162 HydrophobicContact CD2-CB 3.9Å; Y158-R162 HydrophobicContact CE2-CB 4.15Å; Y158-R162 PolarHBondContact O-N 2.72Å; Y158-R162 VanDerWaalsContact O-N 3.16Å; R162-E165 PolarHBondContact O-N 3.16Å; R162-W166 WeakPolarHBondContact O-CB 3.38Å; R162-W166 PolarHBondContact O-N 3.15Å |
| 163 | C | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.1 | -47.2 | 178.2 | -174.9 | 0 | 0 | 0 | 0 | 111.1 | M4 C100 Y158 G161 W166 L167 | M4-C163 HydrophobicContact CE-CB 4.16Å; M4-C163 VanDerWaalsContact CE-O 3.22Å; M4-C163 WeakPolarHBondContact CE-O 3.46Å; M4-C163 WeakPolarHBondContact CE-SG 3.5Å; C100-C163 HydrophobicContact CB-CB 3.88Å; C100-C163 WeakPolarHBondContact CB-SG 3.34Å; C100-C163 PolarHBondContact N-SG 3.16Å; C100-C163 VanDerWaalsContact N-SG 3.37Å; C100-C163 WeakPolarHBondContact SG-CB 3.29Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 2.97Å; Y158-C163 HydrophobicContact CD1-CB 4.34Å; Y158-C163 HydrophobicContact CE1-CB 3.91Å; Y158-C163 WeakPolarHBondContact O-CB 3.16Å; Y158-C163 PolarHBondContact O-N 2.75Å; G161-C163 VanDerWaalsContact C-N 3.27Å; G161-C163 PolarHBondContact O-N 3.36Å; G161-C163 VanDerWaalsContact O-N 3.14Å; C163-W166 PolarHBondContact O-N 3.44Å; C163-L167 WeakPolarHBondContact O-CB 3.23Å; C163-L167 PolarHBondContact O-N 3.1Å |
| 164 | V | 98.4 | Very high | 97.6 | Very high | 8 Ų | 8 | 56.9 Ų | 56.9 | 5% | 0.048 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.8 | -42 | 177.9 | 174.4 | 0 | 0 | 0 | 0 | 111.2 | V102 F108 G161 L167 R168 | V102-V164 HydrophobicContact CG1-CB 4.36Å; V102-V164 HydrophobicContact CG1-CG1 3.89Å; V102-V164 HydrophobicContact CG1-CG2 3.96Å; F108-V164 HydrophobicContact CB-CG2 4.1Å; F108-V164 HydrophobicContact CD2-CG2 3.78Å; F108-V164 HydrophobicContact CG-CG2 4.43Å; G161-V164 WeakPolarHBondContact O-CB 3.46Å; G161-V164 PolarHBondContact O-N 3.34Å; V164-L167 PolarHBondContact O-N 3.17Å; V164-R168 VanDerWaalsContact O-CG 3.31Å; V164-R168 WeakPolarHBondContact O-CG 3.48Å; V164-R168 PolarHBondContact O-N 3.31Å |
| 165 | E | 97.9 | Very high | 97.4 | Very high | 125 Ų | 125 | 56 Ų | 56 | 58% | 0.584 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -59.6 | -47.8 | 176.6 | -69 | 171.3 | 173.3 | 0 | 0 | 112 | G161 R162 R168 R169 | G161-E165 PolarHBondContact O-N 3.03Å; R162-E165 PolarHBondContact O-N 3.16Å; E165-R168 PolarHBondContact O-N 3.14Å; E165-R169 PolarHBondContact O-N 2.96Å; E165-R169 VanDerWaalsContact O-N 3.07Å |
| 166 | W | 97.9 | Very high | 97.1 | Very high | 69 Ų | 69 | 62.6 Ų | 62.6 | 26% | 0.261 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.2 | -43.5 | 177.3 | -82.2 | 111.9 | 0 | 0 | 0 | 112.2 | M4 Y58 R162 C163 R168 R169 Y170 | M4-W166 HydrophobicContact CE-CB 3.99Å; M4-W166 HydrophobicContact SD-CB 4.35Å; Y58-W166 AromaticContact CD2-CH2 3.56Å; Y58-W166 HydrophobicContact CD2-CH2 3.56Å; Y58-W166 HydrophobicContact CD2-CZ2 4.31Å; Y58-W166 AromaticContact CD2-CZ3 3.84Å; Y58-W166 HydrophobicContact CD2-CZ3 3.84Å; Y58-W166 HydrophobicContact CE2-CE3 4.29Å; Y58-W166 AromaticContact CE2-CH2 3.81Å; Y58-W166 HydrophobicContact CE2-CH2 3.81Å; Y58-W166 HydrophobicContact CE2-CZ2 4.44Å; Y58-W166 AromaticContact CE2-CZ3 3.71Å; Y58-W166 HydrophobicContact CE2-CZ3 3.71Å; R162-W166 WeakPolarHBondContact O-CB 3.38Å; R162-W166 PolarHBondContact O-N 3.15Å; C163-W166 PolarHBondContact O-N 3.44Å; W166-R168 VanDerWaalsContact C-N 3.33Å; W166-R168 PolarHBondContact O-N 3.18Å; W166-R169 PolarHBondContact O-N 3.13Å; W166-Y170 HydrophobicContact CB-CE2 4.06Å; W166-Y170 HydrophobicContact CE3-CD1 4.38Å; 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 4.38Å; W166-Y170 AromaticContact CE3-CZ 3.47Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.47Å; W166-Y170 VanDerWaalsContact CE3-OH 3.28Å; W166-Y170 AromaticContact CZ3-CE1 3.88Å; W166-Y170 HydrophobicContact CZ3-CE1 3.88Å; W166-Y170 WeakPolarHBondContact O-CD2 3.45Å; W166-Y170 PolarHBondContact O-N 2.8Å |
| 167 | L | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.1 | -44.2 | 177.4 | 177 | 51.2 | 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 4.14Å; M4-L167 HydrophobicContact CB-CD1 4.01Å; M4-L167 HydrophobicContact CB-CD2 4.17Å; M4-L167 HydrophobicContact CB-CG 4.33Å; V27-L167 HydrophobicContact CG1-CD1 3.64Å; V27-L167 HydrophobicContact CG2-CD1 4.26Å; V102-L167 HydrophobicContact CB-CD2 4.41Å; V102-L167 HydrophobicContact CG1-CD2 3.97Å; V102-L167 HydrophobicContact CG2-CD2 3.68Å; V102-L167 HydrophobicContact CG2-CG 4.29Å; C163-L167 WeakPolarHBondContact O-CB 3.23Å; C163-L167 PolarHBondContact O-N 3.1Å; V164-L167 PolarHBondContact O-N 3.17Å; L167-R169 PolarHBondContact O-N 2.95Å; L167-Y170 PolarHBondContact O-N 2.95Å; L167-L171 HydrophobicContact CD1-CD1 3.45Å; L167-L171 VanDerWaalsContact CD1-CD1 3.45Å; L167-L171 HydrophobicContact CD1-CG 3.96Å; L167-L171 HydrophobicContact CG-CD1 3.79Å; L167-L171 WeakPolarHBondContact O-CB 3.47Å; L167-L171 WeakPolarHBondContact O-CG 3.4Å; L167-L171 PolarHBondContact O-N 3.04Å |
| 168 | R | 96.8 | Very high | 96.6 | Very high | 114 Ų | 114 | 58 Ų | 58 | 43% | 0.43 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60.3 | -46.1 | 174.9 | -72.3 | 173.9 | -176.3 | -173.3 | 0.8 | 112.1 | W106 V164 E165 W166 Y170 L171 E172 | W106-R168 HydrophobicContact CE3-CG 3.98Å; W106-R168 PolarHBondContact O-NE 2.99Å; W106-R168 PolarHBondContact O-NH2 3.11Å; V164-R168 VanDerWaalsContact O-CG 3.31Å; V164-R168 WeakPolarHBondContact O-CG 3.48Å; V164-R168 PolarHBondContact O-N 3.31Å; E165-R168 PolarHBondContact O-N 3.14Å; W166-R168 VanDerWaalsContact C-N 3.33Å; W166-R168 PolarHBondContact O-N 3.18Å; R168-Y170 VanDerWaalsContact C-N 3.35Å; R168-Y170 PolarHBondContact O-N 2.91Å; R168-L171 PolarHBondContact O-N 3.35Å; R168-E172 PolarHBondContact O-N 3.21Å |
| 169 | R | 96.9 | Very high | 96.3 | Very high | 122 Ų | 122 | 60 Ų | 60 | 46% | 0.46 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.3 | -45.4 | 176.9 | 179.5 | 177.9 | 173.7 | 104.2 | -5.1 | 111.5 | E54 E165 W166 L167 E172 N173 | E54-R169 IonicContact OE1-CZ 3.86Å; E54-R169 IonicContact OE1-NE 2.7Å; E54-R169 PolarHBondContact OE1-NE 3.17Å; E54-R169 IonicContact OE1-NH2 3.04Å; E54-R169 PolarHBondContact OE1-NH2 3.22Å; E54-R169 IonicContact OE2-CZ 3.44Å; E54-R169 IonicContact OE2-NE 2.76Å; E54-R169 PolarHBondContact OE2-NE 3.06Å; E54-R169 IonicContact OE2-NH2 3.26Å; E54-R169 PolarHBondContact OE2-NH2 2.89Å; E165-R169 PolarHBondContact O-N 2.96Å; E165-R169 VanDerWaalsContact O-N 3.07Å; W166-R169 PolarHBondContact O-N 3.13Å; L167-R169 PolarHBondContact O-N 2.95Å; R169-E172 PolarHBondContact O-N 3.23Å; R169-N173 WeakPolarHBondContact O-CB 3.39Å; R169-N173 PolarHBondContact O-N 3.4Å; R169-N173 PolarHBondContact O-OD1 3.35Å |
| 170 | Y | 97.5 | Very high | 96.1 | Very high | 1 Ų | 1 | 63.7 Ų | 63.7 | 0% | 0.004 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.7 | -36.9 | 179.3 | -61.2 | -26.7 | 0 | 0 | 0 | 112.8 | M4 V27 F32 W50 I51 Y58 W166 L167 R168 E172 N173 G174 L178 | M4-Y170 HydrophobicContact SD-CD2 3.81Å; M4-Y170 HydrophobicContact SD-CE2 3.53Å; M4-Y170 VanDerWaalsContact SD-CE2 3.53Å; V27-Y170 HydrophobicContact CG2-CD2 3.98Å; F32-Y170 HydrophobicContact CE2-CD2 4.27Å; F32-Y170 AromaticContact CE2-CE2 3.69Å; F32-Y170 HydrophobicContact CE2-CE2 3.69Å; F32-Y170 AromaticContact CE2-CZ 4Å; F32-Y170 HydrophobicContact CZ-CD2 4.31Å; F32-Y170 AromaticContact CZ-CE2 3.81Å; F32-Y170 HydrophobicContact CZ-CE2 3.81Å; W50-Y170 HydrophobicContact CH2-CG 4.37Å; W50-Y170 AromaticContact CZ3-CD1 3.99Å; W50-Y170 HydrophobicContact CZ3-CD1 3.99Å; W50-Y170 AromaticContact CZ3-CG 3.83Å; W50-Y170 HydrophobicContact CZ3-CG 3.83Å; I51-Y170 HydrophobicContact CD1-CD1 3.74Å; I51-Y170 HydrophobicContact CD1-CE1 3.36Å; Y58-Y170 HydrophobicContact CE2-CE1 4.41Å; Y58-Y170 VanDerWaalsContact CE2-OH 3.22Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.48Å; Y58-Y170 PolarHBondContact OH-OH 3.39Å; W166-Y170 HydrophobicContact CB-CE2 4.06Å; W166-Y170 HydrophobicContact CE3-CD1 4.38Å; 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 4.38Å; W166-Y170 AromaticContact CE3-CZ 3.47Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.47Å; W166-Y170 VanDerWaalsContact CE3-OH 3.28Å; W166-Y170 AromaticContact CZ3-CE1 3.88Å; W166-Y170 HydrophobicContact CZ3-CE1 3.88Å; W166-Y170 WeakPolarHBondContact O-CD2 3.45Å; W166-Y170 PolarHBondContact O-N 2.8Å; L167-Y170 PolarHBondContact O-N 2.95Å; R168-Y170 VanDerWaalsContact C-N 3.35Å; R168-Y170 PolarHBondContact O-N 2.91Å; Y170-E172 VanDerWaalsContact C-N 3.33Å; Y170-N173 PolarHBondContact O-N 2.9Å; Y170-G174 PolarHBondContact O-N 3.5Å; Y170-L178 WeakPolarHBondContact O-CD1 3.34Å |
| 171 | L | 96.2 | Very high | 96 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -70.2 | -29.5 | 176.4 | -75.6 | 163.3 | 0 | 0 | 0 | 113.1 | H2 V27 W106 L167 R168 K175 L178 Q179 | H2-L171 HydrophobicContact CB-CD1 3.45Å; H2-L171 VanDerWaalsContact CB-CD1 3.45Å; H2-L171 HydrophobicContact CB-CD2 4.38Å; V27-L171 HydrophobicContact CG1-CD2 3.98Å; V27-L171 HydrophobicContact CG1-CG 4.19Å; W106-L171 HydrophobicContact CH2-CB 4.03Å; W106-L171 HydrophobicContact CH2-CD1 3.98Å; W106-L171 HydrophobicContact CZ3-CB 4.1Å; W106-L171 HydrophobicContact CZ3-CD1 3.43Å; W106-L171 VanDerWaalsContact CZ3-CD1 3.43Å; W106-L171 HydrophobicContact CZ3-CG 4.37Å; L167-L171 HydrophobicContact CD1-CD1 3.45Å; L167-L171 VanDerWaalsContact CD1-CD1 3.45Å; L167-L171 HydrophobicContact CD1-CG 3.96Å; L167-L171 HydrophobicContact CG-CD1 3.79Å; L167-L171 WeakPolarHBondContact O-CB 3.47Å; L167-L171 WeakPolarHBondContact O-CG 3.4Å; L167-L171 PolarHBondContact O-N 3.04Å; R168-L171 PolarHBondContact O-N 3.35Å; L171-K175 VanDerWaalsContact O-CA 3.23Å; L171-K175 WeakPolarHBondContact O-CA 3.48Å; L171-K175 WeakPolarHBondContact O-CB 3.3Å; L171-K175 PolarHBondContact O-N 2.87Å; L171-K175 VanDerWaalsContact O-N 3.16Å; L171-L178 HydrophobicContact CD2-CB 3.74Å; L171-L178 HydrophobicContact CD2-CD1 3.97Å; L171-L178 HydrophobicContact CD2-CG 4.49Å; L171-Q179 HydrophobicContact CD2-CG 4.33Å; L171-Q179 PolarHBondContact O-NE2 2.89Å |
| 172 | E | 95.7 | Very high | 95.9 | Very high | 123 Ų | 123 | 64.2 Ų | 64.2 | 58% | 0.575 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -71.8 | -49.3 | 170.1 | -169.7 | 60.9 | -148.6 | 0 | 0 | 110.7 | R168 R169 Y170 G174 K175 | R168-E172 PolarHBondContact O-N 3.21Å; R169-E172 PolarHBondContact O-N 3.23Å; Y170-E172 VanDerWaalsContact C-N 3.33Å; E172-G174 VanDerWaalsContact C-N 3.31Å; E172-G174 PolarHBondContact O-N 2.9Å; E172-K175 WeakPolarHBondContact O-CB 3.32Å; E172-K175 PolarHBondContact O-N 3.22Å |
| 173 | N | 96.3 | Very high | 95.9 | Very high | 44 Ų | 44 | 59.9 Ų | 59.9 | 24% | 0.235 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.6 | -42.4 | 178.7 | -69 | -2.6 | 0 | 0 | 0 | 112.5 | Q53 E54 R169 Y170 | Q53-N173 PolarHBondContact NE2-ND2 3.2Å; Q53-N173 PolarHBondContact NE2-OD1 3.18Å; E54-N173 PolarHBondContact OE1-ND2 3.04Å; E54-N173 VanDerWaalsContact OE1-ND2 3.13Å; R169-N173 WeakPolarHBondContact O-CB 3.39Å; R169-N173 PolarHBondContact O-N 3.4Å; R169-N173 PolarHBondContact O-OD1 3.35Å; Y170-N173 PolarHBondContact O-N 2.9Å |
| 174 | G | 95.8 | Very high | 95.9 | Very high | 2 Ų | 2 | 60.3 Ų | 60.3 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | 19.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | W50 Y170 E172 E176 T177 L178 | W50-G174 VanDerWaalsContact CG-CA 3.49Å; Y170-G174 PolarHBondContact O-N 3.5Å; E172-G174 VanDerWaalsContact C-N 3.31Å; E172-G174 PolarHBondContact O-N 2.9Å; G174-E176 VanDerWaalsContact C-N 3.28Å; G174-E176 PolarHBondContact O-N 3.44Å; G174-E176 VanDerWaalsContact O-N 3.16Å; G174-T177 PolarHBondContact O-N 3.11Å; G174-L178 WeakPolarHBondContact O-CB 3.24Å; G174-L178 PolarHBondContact O-N 2.91Å |
| 175 | K | 94.3 | Very high | 95.9 | Very high | 110 Ų | 110 | 66.8 Ų | 66.8 | 48% | 0.478 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -48.9 | -45.8 | -171.4 | -176.8 | 174.5 | -176.6 | 175.4 | 0 | 113.8 | L171 E172 T177 Q179 | L171-K175 VanDerWaalsContact O-CA 3.23Å; L171-K175 WeakPolarHBondContact O-CA 3.48Å; L171-K175 WeakPolarHBondContact O-CB 3.3Å; L171-K175 PolarHBondContact O-N 2.87Å; L171-K175 VanDerWaalsContact O-N 3.16Å; E172-K175 WeakPolarHBondContact O-CB 3.32Å; E172-K175 PolarHBondContact O-N 3.22Å; K175-T177 PolarHBondContact O-N 3.27Å; K175-Q179 WeakPolarHBondContact O-CB 3.19Å; K175-Q179 PolarHBondContact O-N 2.85Å; K175-Q179 VanDerWaalsContact O-N 3.14Å |
| 176 | E | 92.5 | Very high | 95.8 | Very high | 180 Ų | 180 | 62.7 Ų | 62.7 | 84% | 0.841 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -65.5 | -24.8 | -179.6 | -63 | -175.5 | 168.2 | 0 | 0 | 113.7 | G174 | G174-E176 VanDerWaalsContact C-N 3.28Å; G174-E176 PolarHBondContact O-N 3.44Å; G174-E176 VanDerWaalsContact O-N 3.16Å |
| 177 | T | 92.2 | Very high | 95.7 | Very high | 45 Ų | 45 | 63.1 Ų | 63.1 | 28% | 0.276 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -101.7 | -42.4 | -178.2 | -53.6 | 0 | 0 | 0 | 0 | 112.4 | G174 K175 R180 | G174-T177 PolarHBondContact O-N 3.11Å; K175-T177 PolarHBondContact O-N 3.27Å; T177-R180 VanDerWaalsContact O-CG 3.31Å; T177-R180 WeakPolarHBondContact O-CG 3.01Å |
| 178 | L | 93.4 | Very high | 95.6 | Very high | 3 Ų | 3 | 64.8 Ų | 64.8 | 2% | 0.016 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -86 | -28.1 | -171.9 | -62.9 | 171.6 | 0 | 0 | 0 | 112.8 | V27 T30 W50 Y170 L171 G174 | V27-L178 HydrophobicContact CB-CD1 4.28Å; V27-L178 HydrophobicContact CB-CD2 4.17Å; V27-L178 HydrophobicContact CG1-CD1 3.9Å; V27-L178 HydrophobicContact CG1-CD2 4.14Å; T30-L178 HydrophobicContact CG2-CD2 4.05Å; W50-L178 HydrophobicContact CD2-CD1 4.39Å; W50-L178 HydrophobicContact CH2-CD1 4.24Å; W50-L178 HydrophobicContact CZ2-CD1 3.79Å; W50-L178 HydrophobicContact CZ2-CD2 4.02Å; W50-L178 HydrophobicContact CZ2-CG 4.29Å; Y170-L178 WeakPolarHBondContact O-CD1 3.34Å; L171-L178 HydrophobicContact CD2-CB 3.74Å; L171-L178 HydrophobicContact CD2-CD1 3.97Å; L171-L178 HydrophobicContact CD2-CG 4.49Å; G174-L178 WeakPolarHBondContact O-CB 3.24Å; G174-L178 PolarHBondContact O-N 2.91Å |
| 179 | Q | 91.9 | Very high | 95.5 | Very high | 72 Ų | 72 | 60.9 Ų | 60.9 | 34% | 0.336 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -105.2 | 13.8 | 178.9 | -54.4 | 179.9 | 37.9 | 0 | 0 | 112.1 | L171 K175 | L171-Q179 HydrophobicContact CD2-CG 4.33Å; L171-Q179 PolarHBondContact O-NE2 2.89Å; K175-Q179 WeakPolarHBondContact O-CB 3.19Å; K175-Q179 PolarHBondContact O-N 2.85Å; K175-Q179 VanDerWaalsContact O-N 3.14Å |
| 180 | R | 94.3 | Very high | 95.3 | Very high | 79 Ų | 79 | 58.3 Ų | 58.3 | 30% | 0.298 | 29% | 0.29 | S | S | . | . | trans | -77.4 | 158.9 | 170.8 | 80 | -172.1 | 172.7 | 179 | 3.7 | 110.1 | T177 D182 Y208 | T177-R180 VanDerWaalsContact O-CG 3.31Å; T177-R180 WeakPolarHBondContact O-CG 3.01Å; R180-D182 IonicContact CZ-OD2 2.82Å; R180-D182 IonicContact NE-OD2 3.86Å; R180-D182 PolarHBondContact NE-OD2 3.27Å; R180-Y208 HydrophobicContact CG-CD1 3.82Å; R180-Y208 HydrophobicContact CG-CE1 4.27Å; R180-Y208 WeakPolarHBondContact O-CD1 3.33Å | ||
| 181 | T | 95.2 | Very high | 95.1 | Very high | 61 Ų | 61 | 62.3 Ų | 62.3 | 37% | 0.374 | 31% | 0.309 | S | S | . | . | trans | -137.1 | 116.3 | 170.8 | -35.5 | 0 | 0 | 0 | 0 | 108.8 | Y208 E263 | T181-Y208 WeakPolarHBondContact CA-O 3.46Å; T181-Y208 WeakPolarHBondContact CG2-O 3.5Å; T181-E263 HydrophobicContact CG2-CB 4.06Å; T181-E263 HydrophobicContact CG2-CG 4.16Å | ||
| 182 | D | 96.4 | Very high | 94.9 | Very high | 52 Ų | 52 | 66.1 Ų | 66.1 | 28% | 0.278 | 34% | 0.34 | S | S | . | . | B | Isolated β-bridge | trans | -104.9 | 115.6 | -178 | -62 | -36.6 | 0 | 0 | 0 | 108.3 | R180 F207 Y208 H262 | R180-D182 IonicContact CZ-OD2 2.82Å; R180-D182 IonicContact NE-OD2 3.86Å; R180-D182 PolarHBondContact NE-OD2 3.27Å; D182-F207 VanDerWaalsContact O-CA 3.3Å; D182-F207 WeakPolarHBondContact O-CA 3.14Å; D182-F207 WeakPolarHBondContact O-CB 3.5Å; D182-Y208 PolarHBondContact N-O 2.86Å; D182-Y208 PolarHBondContact O-N 2.82Å; D182-H262 PolarHBondContact O-CE1 3.18Å |
| 183 | A | 97.8 | Very high | 94.5 | Very high | 47 Ų | 47 | 64.7 Ų | 64.7 | 39% | 0.388 | 34% | 0.34 | S | S | . | . | trans | -65.7 | 140.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | K185 L265 | A183-K185 PolarHBondContact O-N 2.96Å; A183-L265 HydrophobicContact CB-CD2 3.99Å | ||
| 184 | P | 98.2 | Very high | 94.2 | Very high | 9 Ų | 9 | 65.1 Ų | 65.1 | 6% | 0.058 | 35% | 0.346 | C | S | . | . | trans | -64.9 | 131 | 179.1 | 26.9 | -34.7 | 0 | 0 | 0 | 112 | T186 A204 F207 I212 V260 H262 L265 | P184-T186 HydrophobicContact CB-CG2 4.09Å; P184-T186 HydrophobicContact CG-CG2 4.27Å; P184-T186 PolarHBondContact O-N 3.15Å; P184-A204 HydrophobicContact CB-CB 3.88Å; P184-F207 HydrophobicContact CB-CB 3.84Å; P184-F207 HydrophobicContact CB-CD1 3.99Å; P184-F207 HydrophobicContact CB-CG 4.17Å; P184-I212 HydrophobicContact CB-CD1 4.06Å; P184-I212 HydrophobicContact CG-CD1 4.1Å; P184-V260 HydrophobicContact CG-CG1 3.98Å; P184-H262 HydrophobicContact CG-CB 4.14Å; P184-L265 HydrophobicContact CG-CD1 3.87Å; P184-L265 HydrophobicContact CG-CD2 4.4Å; P184-L265 HydrophobicContact CG-CG 4.2Å | ||
| 185 | K | 97.9 | Very high | 93.8 | Very high | 145 Ų | 145 | 72.3 Ų | 72.3 | 63% | 0.63 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 109.1 | 164.4 | -64.5 | 178 | -173.6 | 169.6 | 0 | 107.7 | A183 L205 | A183-K185 PolarHBondContact O-N 2.96Å; K185-L205 HydrophobicContact CB-CB 4.48Å; K185-L205 PolarHBondContact N-O 3.09Å; K185-L205 PolarHBondContact O-N 3.43Å |
| 186 | T | 97.4 | Very high | 93.6 | Very high | 38 Ų | 38 | 74 Ų | 74 | 23% | 0.233 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 144.4 | -175.1 | 57.5 | 0 | 0 | 0 | 0 | 112.1 | P184 W203 A204 V260 L269 L271 | P184-T186 HydrophobicContact CB-CG2 4.09Å; P184-T186 HydrophobicContact CG-CG2 4.27Å; P184-T186 PolarHBondContact O-N 3.15Å; T186-W203 WeakPolarHBondContact CA-O 3.16Å; T186-W203 WeakPolarHBondContact CB-O 3.19Å; T186-A204 HydrophobicContact CG2-CB 4.39Å; T186-V260 HydrophobicContact CG2-CG1 4.3Å; T186-V260 HydrophobicContact CG2-CG2 4.14Å; T186-L269 HydrophobicContact CG2-CD1 4.43Å; T186-L271 HydrophobicContact CG2-CD1 4.06Å |
| 187 | H | 94.8 | Very high | 93.7 | Very high | 78 Ų | 78 | 69.7 Ų | 69.7 | 36% | 0.361 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 163.3 | 170.8 | 68.5 | -77.6 | 0 | 0 | 0 | 110.1 | W203 | H187-W203 AromaticContact CD2-CD1 3.91Å; H187-W203 WeakPolarHBondContact CE1-CB 3.03Å; H187-W203 AromaticContact CE1-CD1 3.75Å; H187-W203 AromaticContact CE1-CG 3.47Å; H187-W203 VanDerWaalsContact CE1-CG 3.47Å; H187-W203 PolarHBondContact N-O 3.01Å; H187-W203 AromaticContact NE2-CD1 3.38Å; H187-W203 AromaticContact NE2-CG 3.59Å; H187-W203 AromaticContact NE2-NE1 3.94Å; H187-W203 PolarHBondContact O-N 3.29Å |
| 188 | M | 95.4 | Very high | 93.8 | Very high | 35 Ų | 35 | 67.6 Ų | 67.6 | 17% | 0.172 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 142.6 | 174.2 | -77.8 | -167.3 | 167.8 | 0 | 0 | 111.2 | R201 W216 C258 L271 W273 | M188-R201 WeakPolarHBondContact CA-O 3.41Å; M188-W216 HydrophobicContact CE-CH2 3.19Å; M188-W216 HydrophobicContact CE-CZ2 4.01Å; M188-W216 HydrophobicContact CE-CZ3 3.6Å; M188-W216 HydrophobicContact SD-CH2 4.06Å; M188-C258 HydrophobicContact CE-CB 3.43Å; M188-C258 VanDerWaalsContact CE-CB 3.43Å; M188-L271 HydrophobicContact CE-CB 3.77Å; M188-L271 VanDerWaalsContact CE-O 3.26Å; M188-L271 WeakPolarHBondContact CE-O 3.38Å; M188-W273 WeakPolarHBondContact SD-CA 3.34Å; M188-W273 HydrophobicContact SD-CB 3.81Å; M188-W273 PolarHBondContact SD-N 2.66Å |
| 189 | T | 94.6 | Very high | 94 | Very high | 33 Ų | 33 | 68.5 Ų | 68.5 | 20% | 0.202 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 142.2 | 170.2 | 50.6 | 0 | 0 | 0 | 0 | 109.1 | R201 W203 | T189-R201 PolarHBondContact N-O 3.36Å; T189-R201 PolarHBondContact O-N 3.42Å; T189-R201 WeakPolarHBondContact OG1-CB 3.47Å; T189-R201 PolarHBondContact OG1-O 2.98Å; T189-W203 PolarHBondContact OG1-NE1 3.44Å |
| 190 | H | 94.2 | Very high | 94.2 | Very high | 67 Ų | 67 | 65 Ų | 65 | 31% | 0.31 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 127.4 | 178.1 | 165.3 | -77.8 | 0 | 0 | 0 | 108.6 | A198 L200 W273 | H190-A198 WeakPolarHBondContact NE2-CB 3.22Å; H190-L200 HydrophobicContact CB-CD2 4.01Å; H190-W273 HydrophobicContact CB-CZ2 4.24Å; H190-W273 VanDerWaalsContact CB-NE1 3.25Å; H190-W273 AromaticContact CD2-CZ2 3.97Å; H190-W273 AromaticContact CG-NE1 3.95Å |
| 191 | H | 92.8 | Very high | 94.4 | Very high | 85 Ų | 85 | 63.8 Ų | 63.8 | 39% | 0.394 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 112.6 | 178.5 | -59.5 | -75.2 | 0 | 0 | 0 | 108.9 | V193 A198 T199 R201 | H191-V193 PolarHBondContact O-N 2.86Å; H191-A198 CarbonylContact O-C 3.58Å; H191-A198 VanDerWaalsContact O-CA 3.31Å; H191-A198 WeakPolarHBondContact O-CA 3.43Å; H191-T199 PolarHBondContact N-O 3.12Å; H191-T199 PolarHBondContact O-N 2.89Å; H191-R201 PolarHBondContact CD2-NH1 3.36Å; H191-R201 VanDerWaalsContact CD2-NH1 3.33Å; H191-R201 PolarHBondContact NE2-NH1 3.1Å |
| 192 | A | 91.1 | Very high | 94.5 | Very high | 81 Ų | 81 | 60.9 Ų | 60.9 | 67% | 0.669 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 128 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||
| 193 | V | 88.2 | Confident | 94.6 | Very high | 93 Ų | 93 | 60.6 Ų | 60.6 | 56% | 0.564 | 32% | 0.323 | S | S | * | . | trans | -99.1 | -41.3 | 176.7 | -179.3 | 0 | 0 | 0 | 0 | 109.6 | H191 E197 T199 | H191-V193 PolarHBondContact O-N 2.86Å; V193-E197 PolarHBondContact N-O 3.3Å; V193-T199 WeakPolarHBondContact CG2-OG1 3.25Å | ||
| 194 | S | 89.4 | Confident | 94.6 | Very high | 53 Ų | 53 | 58.4 Ų | 58.4 | 37% | 0.371 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -149.7 | -178.3 | 174.7 | 71 | 0 | 0 | 0 | 0 | 110.4 | H196 E197 | S194-H196 PolarHBondContact O-N 2.7Å; S194-H196 VanDerWaalsContact O-N 3.17Å; S194-H196 PolarHBondContact OG-N 3.24Å; S194-E197 PolarHBondContact N-O 3.25Å; S194-E197 VanDerWaalsContact O-O 3.07Å; S194-E197 PolarHBondContact OG-N 2.64Å |
| 195 | D | 87.4 | Confident | 94.6 | Very high | 152 Ų | 152 | 60.2 Ų | 60.2 | 81% | 0.813 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -66 | -10.2 | 172.5 | -65 | -22.6 | 0 | 0 | 0 | 113.4 | ||
| 196 | H | 91.4 | Very high | 94.6 | Very high | 145 Ų | 145 | 55.2 Ų | 55.2 | 67% | 0.671 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -115 | -15.1 | -176.2 | -56.7 | -43 | 0 | 0 | 0 | 113.4 | S194 P249 S250 | S194-H196 PolarHBondContact O-N 2.7Å; S194-H196 VanDerWaalsContact O-N 3.17Å; S194-H196 PolarHBondContact OG-N 3.24Å; H196-P249 CarbonylContact O-C 3.57Å; H196-P249 WeakPolarHBondContact O-CA 3.34Å; H196-S250 PolarHBondContact O-N 3.28Å; H196-S250 PolarHBondContact O-OG 3.33Å |
| 197 | E | 94.1 | Very high | 94.6 | Very high | 90 Ų | 90 | 53.4 Ų | 53.4 | 42% | 0.421 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 144.1 | -171.2 | -66.4 | -179.7 | 173.5 | 0 | 0 | 112.4 | V193 S194 V247 V248 S250 | V193-E197 PolarHBondContact N-O 3.3Å; S194-E197 PolarHBondContact N-O 3.25Å; S194-E197 VanDerWaalsContact O-O 3.07Å; S194-E197 PolarHBondContact OG-N 2.64Å; E197-V247 HydrophobicContact CB-CG1 4.14Å; E197-V247 HydrophobicContact CG-CG1 4.35Å; E197-V248 WeakPolarHBondContact CA-O 3.38Å; E197-S250 PolarHBondContact N-OG 3.04Å |
| 198 | A | 94.4 | Very high | 94.7 | Very high | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.008 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 153.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | H190 H191 V248 | H190-A198 WeakPolarHBondContact NE2-CB 3.22Å; H191-A198 CarbonylContact O-C 3.58Å; H191-A198 VanDerWaalsContact O-CA 3.31Å; H191-A198 WeakPolarHBondContact O-CA 3.43Å; A198-V248 HydrophobicContact CB-CG2 4.36Å; A198-V248 PolarHBondContact N-O 2.88Å; A198-V248 WeakPolarHBondContact O-CG2 3.32Å; A198-V248 PolarHBondContact O-N 3.42Å |
| 199 | T | 96.4 | Very high | 94.7 | Very high | 22 Ų | 22 | 49.2 Ų | 49.2 | 14% | 0.135 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 121.2 | 167.9 | -54.4 | 0 | 0 | 0 | 0 | 109 | H191 V193 A245 V246 | H191-T199 PolarHBondContact N-O 3.12Å; H191-T199 PolarHBondContact O-N 2.89Å; V193-T199 WeakPolarHBondContact CG2-OG1 3.25Å; T199-A245 HydrophobicContact CG2-CB 3.91Å; T199-V246 WeakPolarHBondContact CA-O 3.42Å |
| 200 | L | 96.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 127.7 | 165 | -64.4 | -177.9 | 0 | 0 | 0 | 108.7 | H190 W216 A245 V246 V248 E253 W273 | H190-L200 HydrophobicContact CB-CD2 4.01Å; L200-W216 HydrophobicContact CB-CH2 3.59Å; L200-W216 HydrophobicContact CB-CZ2 3.9Å; L200-W216 HydrophobicContact CB-CZ3 4.46Å; L200-W216 HydrophobicContact CD1-CH2 4.07Å; L200-W216 HydrophobicContact CD1-CZ3 4.29Å; L200-A245 CarbonylContact O-C 3.53Å; L200-A245 WeakPolarHBondContact O-CA 3.25Å; L200-V246 HydrophobicContact CB-CG1 4.36Å; L200-V246 PolarHBondContact N-O 3.46Å; L200-V246 PolarHBondContact O-N 2.96Å; L200-V248 HydrophobicContact CD1-CG1 3.99Å; L200-V248 HydrophobicContact CD1-CG2 4Å; L200-V248 HydrophobicContact CG-CG1 4.19Å; L200-V248 HydrophobicContact CG-CG2 3.82Å; L200-E253 HydrophobicContact CD1-CB 4.04Å; L200-E253 HydrophobicContact CD1-CG 4.38Å; L200-E253 HydrophobicContact CD2-CG 4.3Å; L200-W273 HydrophobicContact CD1-CB 4.21Å; L200-W273 HydrophobicContact CD2-CB 3.96Å; L200-W273 HydrophobicContact CD2-CD2 4.34Å; L200-W273 HydrophobicContact CD2-CG 3.78Å |
| 201 | R | 97.6 | Very high | 94.9 | Very high | 52 Ų | 52 | 52 Ų | 52 | 20% | 0.196 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 122.7 | 175.8 | 179.7 | -174.6 | -58.7 | 114.7 | -0.2 | 110.4 | M188 T189 H191 W203 W243 A244 A245 | M188-R201 WeakPolarHBondContact CA-O 3.41Å; T189-R201 PolarHBondContact N-O 3.36Å; T189-R201 PolarHBondContact O-N 3.42Å; T189-R201 WeakPolarHBondContact OG1-CB 3.47Å; T189-R201 PolarHBondContact OG1-O 2.98Å; H191-R201 PolarHBondContact CD2-NH1 3.36Å; H191-R201 VanDerWaalsContact CD2-NH1 3.33Å; H191-R201 PolarHBondContact NE2-NH1 3.1Å; R201-W203 HydrophobicContact CG-CZ2 4.43Å; R201-W243 HydrophobicContact CG-CB 4.01Å; R201-W243 HydrophobicContact CG-CD2 4.13Å; R201-W243 HydrophobicContact CG-CE3 3.87Å; R201-W243 HydrophobicContact CG-CG 4.24Å; R201-A244 WeakPolarHBondContact CA-O 3.37Å; R201-A245 HydrophobicContact CB-CB 3.93Å; R201-A245 HydrophobicContact CG-CB 4.1Å |
| 202 | C | 97.8 | Very high | 95.2 | 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 | -94.8 | 121.7 | 176.8 | -176.9 | 0 | 0 | 0 | 0 | 109.4 | W216 W243 A244 C258 | C202-W216 HydrophobicContact CB-CZ2 3.73Å; C202-W243 CarbonylContact O-C 3.6Å; C202-W243 WeakPolarHBondContact O-CA 3.26Å; C202-W243 VanDerWaalsContact O-CB 3.24Å; C202-W243 WeakPolarHBondContact O-CB 3.47Å; C202-A244 PolarHBondContact N-O 3.49Å; C202-A244 PolarHBondContact O-N 2.76Å; C202-C258 HydrophobicContact CB-CB 3.51Å; C202-C258 WeakPolarHBondContact CB-SG 3.35Å; C202-C258 WeakPolarHBondContact SG-CB 3.45Å; C202-C258 CovalentContact SG-SG 2.03Å; C202-C258 PolarHBondContact SG-SG 3.21Å |
| 203 | W | 98.2 | Very high | 95.5 | Very high | 47 Ų | 47 | 47.3 Ų | 47.3 | 18% | 0.178 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 141.3 | -179.4 | -68.5 | 88.8 | 0 | 0 | 0 | 110.8 | T186 H187 T189 R201 L205 W243 | T186-W203 WeakPolarHBondContact CA-O 3.16Å; T186-W203 WeakPolarHBondContact CB-O 3.19Å; H187-W203 AromaticContact CD2-CD1 3.91Å; H187-W203 WeakPolarHBondContact CE1-CB 3.03Å; H187-W203 AromaticContact CE1-CD1 3.75Å; H187-W203 AromaticContact CE1-CG 3.47Å; H187-W203 VanDerWaalsContact CE1-CG 3.47Å; H187-W203 PolarHBondContact N-O 3.01Å; H187-W203 AromaticContact NE2-CD1 3.38Å; H187-W203 AromaticContact NE2-CG 3.59Å; H187-W203 AromaticContact NE2-NE1 3.94Å; H187-W203 PolarHBondContact O-N 3.29Å; T189-W203 PolarHBondContact OG1-NE1 3.44Å; R201-W203 HydrophobicContact CG-CZ2 4.43Å; W203-L205 HydrophobicContact CE3-CD2 3.94Å; W203-W243 HydrophobicContact CD2-CB 3.93Å; W203-W243 HydrophobicContact CD2-CG 4.43Å; W203-W243 HydrophobicContact CE3-CB 3.84Å; W203-W243 AromaticContact CE3-CD1 3.83Å; W203-W243 HydrophobicContact CE3-CG 4.13Å; W203-W243 HydrophobicContact CG-CB 4.35Å; W203-W243 AromaticContact CH2-CD1 3.66Å; W203-W243 HydrophobicContact CH2-CG 4.26Å; W203-W243 HydrophobicContact CZ3-CB 4.27Å; W203-W243 AromaticContact CZ3-CD1 3.38Å; W203-W243 HydrophobicContact CZ3-CG 4.06Å |
| 204 | A | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 120.8 | 163.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | P184 T186 F207 I212 L214 Q241 K242 | P184-A204 HydrophobicContact CB-CB 3.88Å; T186-A204 HydrophobicContact CG2-CB 4.39Å; A204-F207 HydrophobicContact CB-CD1 4.1Å; A204-F207 HydrophobicContact CB-CE1 3.9Å; A204-F207 WeakPolarHBondContact O-CE1 3.48Å; A204-I212 HydrophobicContact CB-CD1 3.69Å; A204-L214 HydrophobicContact CB-CD1 4.09Å; A204-L214 HydrophobicContact CB-CD2 4.25Å; A204-Q241 CarbonylContact O-C 3.57Å; A204-Q241 VanDerWaalsContact O-CA 3.28Å; A204-Q241 WeakPolarHBondContact O-CA 3.44Å; A204-K242 PolarHBondContact N-O 3.13Å; A204-K242 PolarHBondContact O-N 3.15Å; A204-K242 VanDerWaalsContact O-O 3.09Å |
| 205 | L | 98.2 | Very high | 96.3 | Very high | 47 Ų | 47 | 42.6 Ų | 42.6 | 25% | 0.246 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 155.5 | -175.5 | -59.2 | 179.5 | 0 | 0 | 0 | 111.2 | K185 W203 F207 Q241 | K185-L205 HydrophobicContact CB-CB 4.48Å; K185-L205 PolarHBondContact N-O 3.09Å; K185-L205 PolarHBondContact O-N 3.43Å; W203-L205 HydrophobicContact CE3-CD2 3.94Å; L205-F207 VanDerWaalsContact C-N 3.31Å; L205-F207 PolarHBondContact O-N 2.84Å; L205-Q241 HydrophobicContact CD2-CB 3.56Å |
| 206 | S | 97.4 | Very high | 96.8 | Very high | 41 Ų | 41 | 35.5 Ų | 35.5 | 29% | 0.287 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 54.2 | 42.4 | 171 | -55.6 | 0 | 0 | 0 | 0 | 113.9 | T239 F240 | S206-T239 WeakPolarHBondContact CA-OG1 3.43Å; S206-F240 PolarHBondContact N-O 3Å |
| 207 | F | 97.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 158.4 | 177.1 | 61.5 | -90.1 | 0 | 0 | 0 | 112.5 | D182 P184 A204 L205 P209 I212 T232 T239 F240 K242 H262 | D182-F207 VanDerWaalsContact O-CA 3.3Å; D182-F207 WeakPolarHBondContact O-CA 3.14Å; D182-F207 WeakPolarHBondContact O-CB 3.5Å; P184-F207 HydrophobicContact CB-CB 3.84Å; P184-F207 HydrophobicContact CB-CD1 3.99Å; P184-F207 HydrophobicContact CB-CG 4.17Å; A204-F207 HydrophobicContact CB-CD1 4.1Å; A204-F207 HydrophobicContact CB-CE1 3.9Å; A204-F207 WeakPolarHBondContact O-CE1 3.48Å; L205-F207 VanDerWaalsContact C-N 3.31Å; L205-F207 PolarHBondContact O-N 2.84Å; F207-P209 VanDerWaalsContact CD2-O 3.26Å; F207-P209 WeakPolarHBondContact CD2-O 3.32Å; F207-I212 HydrophobicContact CD1-CD1 3.97Å; F207-I212 HydrophobicContact CD2-CB 4.31Å; F207-I212 HydrophobicContact CD2-CD1 4.03Å; F207-I212 HydrophobicContact CE1-CD1 3.86Å; F207-I212 HydrophobicContact CE1-CG2 4.39Å; F207-I212 HydrophobicContact CE2-CB 3.73Å; F207-I212 HydrophobicContact CE2-CD1 3.95Å; F207-I212 HydrophobicContact CE2-CG1 4.43Å; F207-I212 HydrophobicContact CE2-CG2 3.58Å; F207-I212 HydrophobicContact CG-CD1 4.06Å; F207-I212 HydrophobicContact CZ-CB 4.08Å; F207-I212 HydrophobicContact CZ-CD1 3.89Å; F207-I212 HydrophobicContact CZ-CG2 3.49Å; F207-I212 VanDerWaalsContact CZ-CG2 3.49Å; F207-T232 HydrophobicContact CE2-CG2 4.1Å; F207-T232 HydrophobicContact CZ-CG2 3.84Å; F207-T239 CarbonylContact O-C 3.56Å; F207-T239 WeakPolarHBondContact O-CA 3.47Å; F207-F240 VanDerWaalsContact CD1-O 3.28Å; F207-F240 WeakPolarHBondContact CD1-O 3.5Å; F207-F240 HydrophobicContact CD2-CB 3.96Å; F207-F240 HydrophobicContact CE1-CB 4.19Å; F207-F240 WeakPolarHBondContact CE1-O 3.5Å; F207-F240 HydrophobicContact CE2-CB 3.49Å; F207-F240 VanDerWaalsContact CE2-CB 3.49Å; F207-F240 HydrophobicContact CE2-CG 4.46Å; F207-F240 HydrophobicContact CG-CB 4.46Å; F207-F240 HydrophobicContact CZ-CB 3.6Å; F207-F240 PolarHBondContact N-O 3.35Å; F207-F240 PolarHBondContact O-N 3.01Å; F207-K242 HydrophobicContact CE1-CB 4.35Å; F207-K242 HydrophobicContact CZ-CB 4.15Å; F207-H262 AromaticContact CD2-CD2 3.79Å; F207-H262 AromaticContact CD2-NE2 3.58Å |
| 208 | Y | 96.6 | Very high | 97.2 | Very high | 3 Ų | 3 | 30.2 Ų | 30.2 | 1% | 0.012 | 15% | 0.152 | C | C | . | . | B | Isolated β-bridge | trans | -152 | 135.7 | 173.8 | -178.7 | -85.2 | 0 | 0 | 0 | 109 | T30 R180 T181 D182 G238 F240 H262 | T30-Y208 PolarHBondContact OG1-OH 3.47Å; R180-Y208 HydrophobicContact CG-CD1 3.82Å; R180-Y208 HydrophobicContact CG-CE1 4.27Å; R180-Y208 WeakPolarHBondContact O-CD1 3.33Å; T181-Y208 WeakPolarHBondContact CA-O 3.46Å; T181-Y208 WeakPolarHBondContact CG2-O 3.5Å; D182-Y208 PolarHBondContact N-O 2.86Å; D182-Y208 PolarHBondContact O-N 2.82Å; Y208-G238 WeakPolarHBondContact CD2-O 3.33Å; Y208-F240 HydrophobicContact CD2-CD2 4.35Å; Y208-F240 AromaticContact CD2-CE2 3.87Å; Y208-F240 HydrophobicContact CD2-CE2 3.87Å; Y208-F240 HydrophobicContact CE2-CE2 4.26Å; Y208-H262 PolarHBondContact O-CE1 3.07Å |
| 209 | P | 95.9 | Very high | 97.2 | Very high | 21 Ų | 21 | 35 Ų | 35 | 14% | 0.136 | 18% | 0.178 | C | C | . | . | S | Bend | cis | -75.5 | -175.4 | 5.2 | 32.5 | -37.6 | 0 | 0 | 0 | 114.2 | F207 E211 H262 | F207-P209 VanDerWaalsContact CD2-O 3.26Å; F207-P209 WeakPolarHBondContact CD2-O 3.32Å; P209-E211 VanDerWaalsContact C-N 3.29Å; P209-E211 PolarHBondContact O-N 2.81Å; P209-H262 PolarHBondContact O-NE2 2.84Å |
| 210 | A | 96.9 | Very high | 97 | Very high | 15 Ų | 15 | 36.2 Ų | 36.2 | 12% | 0.124 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -71.3 | -23.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | D29 I212 T232 F240 | D29-A210 HydrophobicContact CB-CB 4.14Å; D29-A210 VanDerWaalsContact CG-CB 3.49Å; D29-A210 VanDerWaalsContact OD2-CB 3.29Å; D29-A210 WeakPolarHBondContact OD2-CB 3.42Å; D29-A210 PolarHBondContact OD2-N 3.04Å; A210-I212 PolarHBondContact O-N 2.93Å; A210-T232 HydrophobicContact CB-CG2 4.26Å; A210-T232 WeakPolarHBondContact O-CG2 3.44Å; A210-F240 HydrophobicContact CB-CD1 3.72Å; A210-F240 HydrophobicContact CB-CD2 3.77Å; A210-F240 HydrophobicContact CB-CE1 3.68Å; A210-F240 HydrophobicContact CB-CE2 3.73Å; A210-F240 HydrophobicContact CB-CG 3.78Å; A210-F240 HydrophobicContact CB-CZ 3.72Å |
| 211 | E | 96.7 | Very high | 96.9 | Very high | 145 Ų | 145 | 42.4 Ų | 42.4 | 68% | 0.678 | 22% | 0.224 | S | C | * | . | trans | -67.6 | 112.8 | -178.5 | -171.4 | 59.5 | -147.7 | 0 | 0 | 110.7 | P209 H262 | P209-E211 VanDerWaalsContact C-N 3.29Å; P209-E211 PolarHBondContact O-N 2.81Å; E211-H262 PolarHBondContact O-CD2 2.98Å; E211-H262 VanDerWaalsContact O-CD2 3.28Å | ||
| 212 | I | 97.8 | Very high | 96.8 | Very high | 10 Ų | 10 | 44.7 Ų | 44.7 | 5% | 0.051 | 24% | 0.24 | C | C | . | . | trans | -149 | 142.9 | -179.7 | -164.4 | 170.4 | 0 | 0 | 0 | 109.6 | P184 A204 F207 A210 L214 K242 V260 Q261 H262 | P184-I212 HydrophobicContact CB-CD1 4.06Å; P184-I212 HydrophobicContact CG-CD1 4.1Å; A204-I212 HydrophobicContact CB-CD1 3.69Å; F207-I212 HydrophobicContact CD1-CD1 3.97Å; F207-I212 HydrophobicContact CD2-CB 4.31Å; F207-I212 HydrophobicContact CD2-CD1 4.03Å; F207-I212 HydrophobicContact CE1-CD1 3.86Å; F207-I212 HydrophobicContact CE1-CG2 4.39Å; F207-I212 HydrophobicContact CE2-CB 3.73Å; F207-I212 HydrophobicContact CE2-CD1 3.95Å; F207-I212 HydrophobicContact CE2-CG1 4.43Å; F207-I212 HydrophobicContact CE2-CG2 3.58Å; F207-I212 HydrophobicContact CG-CD1 4.06Å; F207-I212 HydrophobicContact CZ-CB 4.08Å; F207-I212 HydrophobicContact CZ-CD1 3.89Å; F207-I212 HydrophobicContact CZ-CG2 3.49Å; F207-I212 VanDerWaalsContact CZ-CG2 3.49Å; A210-I212 PolarHBondContact O-N 2.93Å; I212-L214 HydrophobicContact CB-CD1 4.49Å; I212-L214 HydrophobicContact CD1-CD1 3.7Å; I212-L214 HydrophobicContact CG1-CD1 3.65Å; I212-L214 HydrophobicContact CG2-CD1 4.12Å; I212-K242 HydrophobicContact CG2-CB 4.21Å; I212-K242 HydrophobicContact CG2-CD 3.55Å; I212-V260 HydrophobicContact CD1-CG1 3.94Å; I212-V260 HydrophobicContact CG1-CG1 4.3Å; I212-Q261 VanDerWaalsContact CG1-O 3.31Å; I212-Q261 WeakPolarHBondContact CG1-O 3.28Å; I212-H262 HydrophobicContact CD1-CB 4.25Å; I212-H262 HydrophobicContact CG1-CB 4.04Å | ||
| 213 | T | 97.9 | Very high | 96.7 | Very high | 57 Ų | 57 | 45.3 Ų | 45.3 | 35% | 0.35 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 124.4 | 173.9 | -61.9 | 0 | 0 | 0 | 0 | 110.1 | T215 V260 Q261 | T213-T215 HydrophobicContact CG2-CG2 3.98Å; T213-V260 WeakPolarHBondContact O-CA 3.41Å; T213-Q261 PolarHBondContact N-O 2.94Å; T213-Q261 PolarHBondContact O-N 2.98Å |
| 214 | L | 97.9 | Very high | 96.3 | Very high | 6 Ų | 6 | 48.1 Ų | 48.1 | 3% | 0.031 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 122.2 | 172.5 | -86.8 | 61.6 | 0 | 0 | 0 | 108.3 | A204 I212 L229 K242 A244 H259 V260 | A204-L214 HydrophobicContact CB-CD1 4.09Å; A204-L214 HydrophobicContact CB-CD2 4.25Å; I212-L214 HydrophobicContact CB-CD1 4.49Å; I212-L214 HydrophobicContact CD1-CD1 3.7Å; I212-L214 HydrophobicContact CG1-CD1 3.65Å; I212-L214 HydrophobicContact CG2-CD1 4.12Å; L214-L229 HydrophobicContact CB-CD1 4.12Å; L214-K242 HydrophobicContact CD1-CD 4.24Å; L214-K242 HydrophobicContact CD2-CB 4.37Å; L214-K242 HydrophobicContact CD2-CD 4.5Å; L214-K242 HydrophobicContact CD2-CG 4.39Å; L214-A244 HydrophobicContact CB-CB 4.04Å; L214-A244 HydrophobicContact CD2-CB 4.27Å; L214-H259 WeakPolarHBondContact CA-O 3.29Å; L214-V260 HydrophobicContact CD1-CG1 4.05Å; L214-V260 HydrophobicContact CG-CG2 4.31Å |
| 215 | T | 97.4 | Very high | 95.8 | Very high | 41 Ų | 41 | 57.2 Ų | 57.2 | 25% | 0.252 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 149.4 | 176 | 58.6 | 0 | 0 | 0 | 0 | 111.4 | T213 C258 H259 | T213-T215 HydrophobicContact CG2-CG2 3.98Å; T215-C258 CarbonylContact O-C 3.53Å; T215-C258 WeakPolarHBondContact O-CA 3.36Å; T215-H259 PolarHBondContact N-O 3.08Å; T215-H259 PolarHBondContact O-N 3.26Å |
| 216 | W | 97.8 | Very high | 95.3 | Very high | 3 Ų | 3 | 60.2 Ų | 60.2 | 1% | 0.011 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 138 | 170.6 | -82 | 102.6 | 0 | 0 | 0 | 110.3 | M188 L200 C202 Q223 A244 V246 T257 C258 | M188-W216 HydrophobicContact CE-CH2 3.19Å; M188-W216 HydrophobicContact CE-CZ2 4.01Å; M188-W216 HydrophobicContact CE-CZ3 3.6Å; M188-W216 HydrophobicContact SD-CH2 4.06Å; L200-W216 HydrophobicContact CB-CH2 3.59Å; L200-W216 HydrophobicContact CB-CZ2 3.9Å; L200-W216 HydrophobicContact CB-CZ3 4.46Å; L200-W216 HydrophobicContact CD1-CH2 4.07Å; L200-W216 HydrophobicContact CD1-CZ3 4.29Å; C202-W216 HydrophobicContact CB-CZ2 3.73Å; W216-Q223 HydrophobicContact CB-CB 4.2Å; W216-Q223 PolarHBondContact O-N 2.82Å; W216-A244 VanDerWaalsContact NE1-C 3.34Å; W216-A244 PolarHBondContact NE1-O 3.26Å; W216-V246 HydrophobicContact CD2-CB 4.35Å; W216-V246 HydrophobicContact CD2-CG1 3.58Å; W216-V246 HydrophobicContact CE3-CG1 3.86Å; W216-V246 HydrophobicContact CG-CB 4.19Å; W216-V246 HydrophobicContact CG-CG1 3.92Å; W216-V246 HydrophobicContact CH2-CG1 4.32Å; W216-V246 HydrophobicContact CZ2-CG1 4.1Å; W216-V246 HydrophobicContact CZ3-CG1 4.22Å; W216-T257 WeakPolarHBondContact CA-O 3.29Å; W216-T257 VanDerWaalsContact CE3-C 3.48Å; W216-C258 HydrophobicContact CD2-CB 4.2Å; W216-C258 HydrophobicContact CE3-CB 4.17Å; W216-C258 HydrophobicContact CH2-CB 4.16Å; W216-C258 HydrophobicContact CZ2-CB 4.15Å; W216-C258 HydrophobicContact CZ3-CB 4.14Å |
| 217 | Q | 97.6 | Very high | 95.2 | Very high | 43 Ų | 43 | 59.4 Ų | 59.4 | 20% | 0.201 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 147.6 | 171.1 | -68.3 | -173 | -11 | 0 | 0 | 110.4 | E221 D222 Y256 T257 H259 | Q217-E221 CarbonylContact C-O 3.55Å; Q217-E221 VanDerWaalsContact CA-O 3.23Å; Q217-E221 WeakPolarHBondContact CA-O 3.38Å; Q217-D222 VanDerWaalsContact CG-OD1 3.27Å; Q217-D222 WeakPolarHBondContact CG-OD1 3.39Å; Q217-D222 PolarHBondContact NE2-OD1 3.33Å; Q217-Y256 CarbonylContact O-C 3.52Å; Q217-Y256 VanDerWaalsContact O-CA 3.27Å; Q217-Y256 WeakPolarHBondContact O-CA 3.18Å; Q217-T257 PolarHBondContact N-O 3.42Å; Q217-T257 PolarHBondContact O-N 2.89Å; Q217-H259 PolarHBondContact OE1-NE2 2.9Å |
| 218 | R | 96.6 | Very high | 95.1 | Very high | 81 Ų | 81 | 65 Ų | 65 | 31% | 0.306 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 116.2 | 169.1 | -177.7 | -179.3 | 69.7 | -161.6 | -3.2 | 108.4 | G220 E221 Q223 R255 Y256 | R218-G220 PolarHBondContact O-N 3.31Å; R218-E221 PolarHBondContact N-O 2.93Å; R218-E221 PolarHBondContact O-N 3.5Å; R218-Q223 HydrophobicContact CB-CG 3.97Å; R218-R255 WeakPolarHBondContact CA-O 3.45Å; R218-R255 HydrophobicContact CG-CB 4.35Å; R218-Y256 HydrophobicContact CB-CD1 4.03Å; R218-Y256 HydrophobicContact CB-CE1 3.86Å; R218-Y256 VanDerWaalsContact CD-CZ 3.49Å; R218-Y256 WeakPolarHBondContact CD-OH 3.29Å; R218-Y256 HydrophobicContact CG-CD1 4.4Å; R218-Y256 HydrophobicContact CG-CE1 4.05Å; R218-Y256 HydrophobicContact CG-CE2 4.21Å |
| 219 | D | 94.4 | Very high | 95.1 | Very high | 100 Ų | 100 | 69 Ų | 69 | 54% | 0.535 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.7 | 30.5 | -174.5 | -53.3 | -48.8 | 0 | 0 | 0 | 114.1 | R255 | D219-R255 PolarHBondContact N-O 2.85Å; D219-R255 WeakPolarHBondContact OD1-CB 3.42Å; D219-R255 IonicContact OD1-NE 3.48Å; D219-R255 PolarHBondContact OD1-NE 2.86Å; D219-R255 IonicContact OD2-CZ 3.08Å; D219-R255 IonicContact OD2-NE 2.78Å; D219-R255 PolarHBondContact OD2-NE 2.83Å; D219-R255 IonicContact OD2-NH2 2.62Å; D219-R255 PolarHBondContact OD2-NH2 2.7Å |
| 220 | G | 91.6 | Very high | 95.2 | Very high | 49 Ų | 49 | 69.7 Ų | 69.7 | 51% | 0.505 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.7 | -3.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | R218 | R218-G220 PolarHBondContact O-N 3.31Š|
| 221 | E | 95.4 | Very high | 95.2 | Very high | 129 Ų | 129 | 77.2 Ų | 77.2 | 60% | 0.603 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95 | 127.9 | 175.8 | -63.6 | -175.8 | 166.3 | 0 | 0 | 111.8 | Q217 R218 Q223 | Q217-E221 CarbonylContact C-O 3.55Å; Q217-E221 VanDerWaalsContact CA-O 3.23Å; Q217-E221 WeakPolarHBondContact CA-O 3.38Å; R218-E221 PolarHBondContact N-O 2.93Å; R218-E221 PolarHBondContact O-N 3.5Å; E221-Q223 PolarHBondContact O-NE2 2.89Å |
| 222 | D | 95.4 | Very high | 95.2 | Very high | 100 Ų | 100 | 72.4 Ų | 72.4 | 54% | 0.535 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 136.3 | -179.9 | -69.4 | -27.5 | 0 | 0 | 0 | 112.6 | Q217 | Q217-D222 VanDerWaalsContact CG-OD1 3.27Å; Q217-D222 WeakPolarHBondContact CG-OD1 3.39Å; Q217-D222 PolarHBondContact NE2-OD1 3.33Å |
| 223 | Q | 95 | Very high | 95.2 | Very high | 13 Ų | 13 | 76.4 Ų | 76.4 | 6% | 0.061 | 40% | 0.396 | C | S | . | . | trans | -109.7 | 36.1 | -177.7 | -57.9 | -59.9 | -72.9 | 0 | 0 | 112.4 | W216 R218 E221 Q225 D226 T227 Y256 | W216-Q223 HydrophobicContact CB-CB 4.2Å; W216-Q223 PolarHBondContact O-N 2.82Å; R218-Q223 HydrophobicContact CB-CG 3.97Å; E221-Q223 PolarHBondContact O-NE2 2.89Å; Q223-Q225 VanDerWaalsContact C-N 3.3Å; Q223-Q225 PolarHBondContact O-N 3.21Å; Q223-D226 PolarHBondContact O-N 3.45Å; Q223-T227 WeakPolarHBondContact O-CB 3.36Å; Q223-T227 PolarHBondContact O-N 3.16Å; Q223-T227 VanDerWaalsContact O-N 3.11Å; Q223-T227 PolarHBondContact O-OG1 3.43Å; Q223-Y256 HydrophobicContact CG-CE1 4.4Å | ||
| 224 | T | 89.2 | Confident | 95.1 | Very high | 106 Ų | 106 | 78.2 Ų | 78.2 | 65% | 0.65 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -35.9 | -169.9 | -47.2 | 0 | 0 | 0 | 0 | 114.1 | ||
| 225 | Q | 89.3 | Confident | 95.1 | Very high | 191 Ų | 191 | 80.2 Ų | 80.2 | 89% | 0.893 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -32.2 | -178.6 | -66.6 | -174.3 | 4.9 | 0 | 0 | 113.1 | Q223 T227 | Q223-Q225 VanDerWaalsContact C-N 3.3Å; Q223-Q225 PolarHBondContact O-N 3.21Å; Q225-T227 VanDerWaalsContact C-N 3.34Å |
| 226 | D | 87.7 | Confident | 94.8 | Very high | 111 Ų | 111 | 82 Ų | 82 | 59% | 0.594 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | 0.3 | -178.2 | -57 | -48.8 | 0 | 0 | 0 | 112.4 | Q223 | Q223-D226 PolarHBondContact O-N 3.45Š|
| 227 | T | 94.4 | Very high | 94.6 | Very high | 24 Ų | 24 | 87 Ų | 87 | 15% | 0.147 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 121 | -179.4 | -64.1 | 0 | 0 | 0 | 0 | 110.8 | Q223 Q225 L229 A244 A245 | Q223-T227 WeakPolarHBondContact O-CB 3.36Å; Q223-T227 PolarHBondContact O-N 3.16Å; Q223-T227 VanDerWaalsContact O-N 3.11Å; Q223-T227 PolarHBondContact O-OG1 3.43Å; Q225-T227 VanDerWaalsContact C-N 3.34Å; T227-L229 HydrophobicContact CG2-CB 4.32Å; T227-L229 PolarHBondContact O-N 2.76Å; T227-A244 HydrophobicContact CG2-CB 3.98Å; T227-A245 CarbonylContact C-O 3.58Å; T227-A245 VanDerWaalsContact CA-O 3.32Å; T227-A245 WeakPolarHBondContact CA-O 3.39Å |
| 228 | E | 96.4 | Very high | 94.3 | Very high | 116 Ų | 116 | 86.9 Ų | 86.9 | 54% | 0.542 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 105.6 | 163.2 | -172.9 | -174.4 | -171.8 | 0 | 0 | 109 | W243 A244 A245 | E228-W243 HydrophobicContact CB-CZ3 4.22Å; E228-W243 HydrophobicContact CG-CH2 3.87Å; E228-W243 HydrophobicContact CG-CZ3 3.83Å; E228-W243 WeakPolarHBondContact O-CZ3 3.45Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.32Å; E228-A244 CarbonylContact O-C 3.5Å; E228-A244 WeakPolarHBondContact O-CA 3.38Å; E228-A245 HydrophobicContact CB-CB 4.39Å; E228-A245 PolarHBondContact N-O 3.07Å; E228-A245 PolarHBondContact O-N 2.76Å |
| 229 | L | 96.8 | Very high | 94.3 | Very high | 89 Ų | 89 | 83.6 Ų | 83.6 | 47% | 0.466 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 120.5 | 178.7 | -174.9 | 68.2 | 0 | 0 | 0 | 110.1 | L214 T227 A244 | L214-L229 HydrophobicContact CB-CD1 4.12Å; T227-L229 HydrophobicContact CG2-CB 4.32Å; T227-L229 PolarHBondContact O-N 2.76Å; L229-A244 HydrophobicContact CD1-CB 3.64Å |
| 230 | V | 96.8 | Very high | 94.5 | Very high | 34 Ų | 34 | 80 Ų | 80 | 21% | 0.206 | 46% | 0.459 | C | S | . | . | P | Polyproline II helix | trans | -84.9 | 152.6 | 173.8 | -64.9 | 0 | 0 | 0 | 0 | 112.2 | K242 W243 | V230-K242 HydrophobicContact CG2-CG 4.42Å; V230-K242 VanDerWaalsContact O-CE 3.29Å; V230-K242 WeakPolarHBondContact O-CE 3.38Å; V230-K242 WeakPolarHBondContact O-CG 3.44Å; V230-K242 PolarHBondContact O-NZ 3.41Å; V230-W243 HydrophobicContact CB-CD2 4.49Å; V230-W243 HydrophobicContact CB-CZ2 4.38Å; V230-W243 HydrophobicContact CG1-CD2 3.98Å; V230-W243 HydrophobicContact CG1-CE3 4.31Å; V230-W243 HydrophobicContact CG1-CH2 3.58Å; V230-W243 HydrophobicContact CG1-CZ2 3.16Å; V230-W243 HydrophobicContact CG1-CZ3 4.12Å; V230-W243 HydrophobicContact CG2-CD2 3.74Å; V230-W243 HydrophobicContact CG2-CE3 4.47Å; V230-W243 HydrophobicContact CG2-CG 3.72Å; V230-W243 HydrophobicContact CG2-CZ2 4.37Å; V230-W243 WeakPolarHBondContact CG2-O 3.16Å; V230-W243 PolarHBondContact N-O 3.32Å |
| 231 | E | 96.8 | Very high | 94.8 | Very high | 173 Ų | 173 | 79.7 Ų | 79.7 | 81% | 0.808 | 44% | 0.444 | S | S | * | . | P | Polyproline II helix | trans | -58.2 | 150.2 | 167.4 | -67.2 | -172.9 | 163.7 | 0 | 0 | 111.2 | R233 | E231-R233 PolarHBondContact O-N 3.47Š|
| 232 | T | 97.8 | Very high | 94.9 | Very high | 45 Ų | 45 | 74.6 Ų | 74.6 | 28% | 0.276 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 129.9 | 174.2 | -56.3 | 0 | 0 | 0 | 0 | 108.6 | F207 A210 F240 K242 | F207-T232 HydrophobicContact CE2-CG2 4.1Å; F207-T232 HydrophobicContact CZ-CG2 3.84Å; A210-T232 HydrophobicContact CB-CG2 4.26Å; A210-T232 WeakPolarHBondContact O-CG2 3.44Å; T232-F240 HydrophobicContact CG2-CB 3.75Å; T232-F240 HydrophobicContact CG2-CD1 3.93Å; T232-F240 HydrophobicContact CG2-CG 4.1Å; T232-K242 WeakPolarHBondContact OG1-CD 3.01Å; T232-K242 PolarHBondContact OG1-NZ 3.08Å |
| 233 | R | 97 | Very high | 95.1 | Very high | 94 Ų | 94 | 71 Ų | 71 | 36% | 0.355 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 145.7 | -175.6 | 68.4 | -168.9 | -178.5 | -166 | 2.1 | 111.4 | E231 F240 Q241 | E231-R233 PolarHBondContact O-N 3.47Å; R233-F240 WeakPolarHBondContact O-CA 3.22Å; R233-Q241 HydrophobicContact CG-CG 3.56Å; R233-Q241 PolarHBondContact N-O 3.04Å; R233-Q241 WeakPolarHBondContact O-CG 3.37Å; R233-Q241 PolarHBondContact O-N 2.89Å |
| 234 | P | 96.9 | Very high | 95.2 | Very high | 94 Ų | 94 | 70.3 Ų | 70.3 | 61% | 0.61 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 145 | 177.5 | 28.5 | -34.5 | 0 | 0 | 0 | 111.1 | F240 | P234-F240 HydrophobicContact CB-CE1 4.35Å |
| 235 | A | 96.2 | Very high | 95.6 | Very high | 49 Ų | 49 | 65.4 Ų | 65.4 | 41% | 0.405 | 37% | 0.366 | S | S | . | . | trans | -88.2 | -17.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113 | T239 | A235-T239 PolarHBondContact N-O 3.17Š| ||
| 236 | G | 92.9 | Very high | 96 | Very high | 78 Ų | 78 | 56.5 Ų | 56.5 | 80% | 0.804 | 33% | 0.325 | S | S | * | . | S | Bend | trans | 98.3 | -9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 237 | D | 92.1 | Very high | 96.4 | Very high | 107 Ų | 107 | 54.8 Ų | 54.8 | 57% | 0.572 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -104.8 | 13.9 | 177 | 62.2 | -2.1 | 0 | 0 | 0 | 112.9 | T239 | D237-T239 WeakPolarHBondContact OD1-CB 3.49Å; D237-T239 PolarHBondContact OD1-N 2.92Å; D237-T239 PolarHBondContact OD1-OG1 3.33Å |
| 238 | G | 91.6 | Very high | 96.4 | Very high | 41 Ų | 41 | 53.7 Ų | 53.7 | 42% | 0.423 | 31% | 0.311 | S | S | . | . | S | Bend | trans | 84.2 | 6.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y208 | Y208-G238 WeakPolarHBondContact CD2-O 3.33Š|
| 239 | T | 96.4 | Very high | 96.4 | Very high | 12 Ų | 12 | 50.3 Ų | 50.3 | 7% | 0.074 | 30% | 0.3 | C | S | . | . | trans | -108.7 | 173 | 171.1 | 73.1 | 0 | 0 | 0 | 0 | 112.2 | S206 F207 A235 D237 | S206-T239 WeakPolarHBondContact CA-OG1 3.43Å; F207-T239 CarbonylContact O-C 3.56Å; F207-T239 WeakPolarHBondContact O-CA 3.47Å; A235-T239 PolarHBondContact N-O 3.17Å; D237-T239 WeakPolarHBondContact OD1-CB 3.49Å; D237-T239 PolarHBondContact OD1-N 2.92Å; D237-T239 PolarHBondContact OD1-OG1 3.33Å | ||
| 240 | F | 98 | Very high | 96.1 | Very high | 25 Ų | 25 | 48.7 Ų | 48.7 | 11% | 0.11 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 162.6 | -177.9 | -62.7 | -84.2 | 0 | 0 | 0 | 112.4 | D29 S206 F207 Y208 A210 T232 R233 P234 | D29-F240 HydrophobicContact CB-CE1 4.49Å; D29-F240 HydrophobicContact CB-CE2 3.86Å; D29-F240 HydrophobicContact CB-CZ 3.51Å; S206-F240 PolarHBondContact N-O 3Å; F207-F240 VanDerWaalsContact CD1-O 3.28Å; F207-F240 WeakPolarHBondContact CD1-O 3.5Å; F207-F240 HydrophobicContact CD2-CB 3.96Å; F207-F240 HydrophobicContact CE1-CB 4.19Å; F207-F240 WeakPolarHBondContact CE1-O 3.5Å; F207-F240 HydrophobicContact CE2-CB 3.49Å; F207-F240 VanDerWaalsContact CE2-CB 3.49Å; F207-F240 HydrophobicContact CE2-CG 4.46Å; F207-F240 HydrophobicContact CG-CB 4.46Å; F207-F240 HydrophobicContact CZ-CB 3.6Å; F207-F240 PolarHBondContact N-O 3.35Å; F207-F240 PolarHBondContact O-N 3.01Å; Y208-F240 HydrophobicContact CD2-CD2 4.35Å; Y208-F240 AromaticContact CD2-CE2 3.87Å; Y208-F240 HydrophobicContact CD2-CE2 3.87Å; Y208-F240 HydrophobicContact CE2-CE2 4.26Å; A210-F240 HydrophobicContact CB-CD1 3.72Å; A210-F240 HydrophobicContact CB-CD2 3.77Å; A210-F240 HydrophobicContact CB-CE1 3.68Å; A210-F240 HydrophobicContact CB-CE2 3.73Å; A210-F240 HydrophobicContact CB-CG 3.78Å; A210-F240 HydrophobicContact CB-CZ 3.72Å; T232-F240 HydrophobicContact CG2-CB 3.75Å; T232-F240 HydrophobicContact CG2-CD1 3.93Å; T232-F240 HydrophobicContact CG2-CG 4.1Å; R233-F240 WeakPolarHBondContact O-CA 3.22Å; P234-F240 HydrophobicContact CB-CE1 4.35Å |
| 241 | Q | 98.3 | Very high | 95.7 | Very high | 43 Ų | 43 | 50.3 Ų | 50.3 | 20% | 0.201 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 147.1 | 173.8 | 45.4 | 167.9 | -28 | 0 | 0 | 110 | A204 L205 R233 | A204-Q241 CarbonylContact O-C 3.57Å; A204-Q241 VanDerWaalsContact O-CA 3.28Å; A204-Q241 WeakPolarHBondContact O-CA 3.44Å; L205-Q241 HydrophobicContact CD2-CB 3.56Å; R233-Q241 HydrophobicContact CG-CG 3.56Å; R233-Q241 PolarHBondContact N-O 3.04Å; R233-Q241 WeakPolarHBondContact O-CG 3.37Å; R233-Q241 PolarHBondContact O-N 2.89Å |
| 242 | K | 98.5 | Very high | 95.6 | Very high | 22 Ų | 22 | 45.1 Ų | 45.1 | 10% | 0.096 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 154.3 | 176.8 | -162.4 | -176.3 | -173.1 | 70.8 | 0 | 109 | A204 F207 I212 L214 V230 T232 | A204-K242 PolarHBondContact N-O 3.13Å; A204-K242 PolarHBondContact O-N 3.15Å; A204-K242 VanDerWaalsContact O-O 3.09Å; F207-K242 HydrophobicContact CE1-CB 4.35Å; F207-K242 HydrophobicContact CZ-CB 4.15Å; I212-K242 HydrophobicContact CG2-CB 4.21Å; I212-K242 HydrophobicContact CG2-CD 3.55Å; L214-K242 HydrophobicContact CD1-CD 4.24Å; L214-K242 HydrophobicContact CD2-CB 4.37Å; L214-K242 HydrophobicContact CD2-CD 4.5Å; L214-K242 HydrophobicContact CD2-CG 4.39Å; V230-K242 HydrophobicContact CG2-CG 4.42Å; V230-K242 VanDerWaalsContact O-CE 3.29Å; V230-K242 WeakPolarHBondContact O-CE 3.38Å; V230-K242 WeakPolarHBondContact O-CG 3.44Å; V230-K242 PolarHBondContact O-NZ 3.41Å; T232-K242 WeakPolarHBondContact OG1-CD 3.01Å; T232-K242 PolarHBondContact OG1-NZ 3.08Å |
| 243 | W | 98.2 | Very high | 95.4 | Very high | 23 Ų | 23 | 43.9 Ų | 43.9 | 9% | 0.087 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 157.5 | 169.5 | 59.4 | -98.7 | 0 | 0 | 0 | 111.5 | R201 C202 W203 E228 V230 A245 | R201-W243 HydrophobicContact CG-CB 4.01Å; R201-W243 HydrophobicContact CG-CD2 4.13Å; R201-W243 HydrophobicContact CG-CE3 3.87Å; R201-W243 HydrophobicContact CG-CG 4.24Å; C202-W243 CarbonylContact O-C 3.6Å; C202-W243 WeakPolarHBondContact O-CA 3.26Å; C202-W243 VanDerWaalsContact O-CB 3.24Å; C202-W243 WeakPolarHBondContact O-CB 3.47Å; W203-W243 HydrophobicContact CD2-CB 3.93Å; W203-W243 HydrophobicContact CD2-CG 4.43Å; W203-W243 HydrophobicContact CE3-CB 3.84Å; W203-W243 AromaticContact CE3-CD1 3.83Å; W203-W243 HydrophobicContact CE3-CG 4.13Å; W203-W243 HydrophobicContact CG-CB 4.35Å; W203-W243 AromaticContact CH2-CD1 3.66Å; W203-W243 HydrophobicContact CH2-CG 4.26Å; W203-W243 HydrophobicContact CZ3-CB 4.27Å; W203-W243 AromaticContact CZ3-CD1 3.38Å; W203-W243 HydrophobicContact CZ3-CG 4.06Å; E228-W243 HydrophobicContact CB-CZ3 4.22Å; E228-W243 HydrophobicContact CG-CH2 3.87Å; E228-W243 HydrophobicContact CG-CZ3 3.83Å; E228-W243 WeakPolarHBondContact O-CZ3 3.45Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.32Å; V230-W243 HydrophobicContact CB-CD2 4.49Å; V230-W243 HydrophobicContact CB-CZ2 4.38Å; V230-W243 HydrophobicContact CG1-CD2 3.98Å; V230-W243 HydrophobicContact CG1-CE3 4.31Å; V230-W243 HydrophobicContact CG1-CH2 3.58Å; V230-W243 HydrophobicContact CG1-CZ2 3.16Å; V230-W243 HydrophobicContact CG1-CZ3 4.12Å; V230-W243 HydrophobicContact CG2-CD2 3.74Å; V230-W243 HydrophobicContact CG2-CE3 4.47Å; V230-W243 HydrophobicContact CG2-CG 3.72Å; V230-W243 HydrophobicContact CG2-CZ2 4.37Å; V230-W243 WeakPolarHBondContact CG2-O 3.16Å; V230-W243 PolarHBondContact N-O 3.32Å; W243-A245 HydrophobicContact CE3-CB 3.99Å; W243-A245 HydrophobicContact CZ3-CB 3.69Å |
| 244 | A | 98.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 132.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | R201 C202 L214 W216 T227 E228 L229 | R201-A244 WeakPolarHBondContact CA-O 3.37Å; C202-A244 PolarHBondContact N-O 3.49Å; C202-A244 PolarHBondContact O-N 2.76Å; L214-A244 HydrophobicContact CB-CB 4.04Å; L214-A244 HydrophobicContact CD2-CB 4.27Å; W216-A244 VanDerWaalsContact NE1-C 3.34Å; W216-A244 PolarHBondContact NE1-O 3.26Å; T227-A244 HydrophobicContact CG2-CB 3.98Å; E228-A244 CarbonylContact O-C 3.5Å; E228-A244 WeakPolarHBondContact O-CA 3.38Å; L229-A244 HydrophobicContact CD1-CB 3.64Å |
| 245 | A | 97.5 | Very high | 95.1 | Very high | 2 Ų | 2 | 44.5 Ų | 44.5 | 2% | 0.017 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 147.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112 | T199 L200 R201 T227 E228 W243 | T199-A245 HydrophobicContact CG2-CB 3.91Å; L200-A245 CarbonylContact O-C 3.53Å; L200-A245 WeakPolarHBondContact O-CA 3.25Å; R201-A245 HydrophobicContact CB-CB 3.93Å; R201-A245 HydrophobicContact CG-CB 4.1Å; T227-A245 CarbonylContact C-O 3.58Å; T227-A245 VanDerWaalsContact CA-O 3.32Å; T227-A245 WeakPolarHBondContact CA-O 3.39Å; E228-A245 HydrophobicContact CB-CB 4.39Å; E228-A245 PolarHBondContact N-O 3.07Å; E228-A245 PolarHBondContact O-N 2.76Å; W243-A245 HydrophobicContact CE3-CB 3.99Å; W243-A245 HydrophobicContact CZ3-CB 3.69Å |
| 246 | V | 97.3 | Very high | 95.1 | Very high | 4 Ų | 4 | 42.5 Ų | 42.5 | 2% | 0.024 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 142.8 | 175.5 | 64.4 | 0 | 0 | 0 | 0 | 109.1 | T199 L200 W216 V248 Y256 | T199-V246 WeakPolarHBondContact CA-O 3.42Å; L200-V246 HydrophobicContact CB-CG1 4.36Å; L200-V246 PolarHBondContact N-O 3.46Å; L200-V246 PolarHBondContact O-N 2.96Å; W216-V246 HydrophobicContact CD2-CB 4.35Å; W216-V246 HydrophobicContact CD2-CG1 3.58Å; W216-V246 HydrophobicContact CE3-CG1 3.86Å; W216-V246 HydrophobicContact CG-CB 4.19Å; W216-V246 HydrophobicContact CG-CG1 3.92Å; W216-V246 HydrophobicContact CH2-CG1 4.32Å; W216-V246 HydrophobicContact CZ2-CG1 4.1Å; W216-V246 HydrophobicContact CZ3-CG1 4.22Å; V246-V248 HydrophobicContact CG1-CG1 3.76Å; V246-Y256 HydrophobicContact CG1-CD1 4.07Å; V246-Y256 HydrophobicContact CG2-CD1 4.4Å; V246-Y256 HydrophobicContact CG2-CE1 4.14Å |
| 247 | V | 96.6 | Very high | 95.3 | Very high | 76 Ų | 76 | 39.3 Ų | 39.3 | 46% | 0.461 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 127.4 | 171.5 | -178.8 | 0 | 0 | 0 | 0 | 108.2 | E197 | E197-V247 HydrophobicContact CB-CG1 4.14Å; E197-V247 HydrophobicContact CG-CG1 4.35Å |
| 248 | V | 95.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 142.4 | -176.5 | -52.9 | 0 | 0 | 0 | 0 | 110.5 | E197 A198 L200 V246 E253 Y256 | E197-V248 WeakPolarHBondContact CA-O 3.38Å; A198-V248 HydrophobicContact CB-CG2 4.36Å; A198-V248 PolarHBondContact N-O 2.88Å; A198-V248 WeakPolarHBondContact O-CG2 3.32Å; A198-V248 PolarHBondContact O-N 3.42Å; L200-V248 HydrophobicContact CD1-CG1 3.99Å; L200-V248 HydrophobicContact CD1-CG2 4Å; L200-V248 HydrophobicContact CG-CG1 4.19Å; L200-V248 HydrophobicContact CG-CG2 3.82Å; V246-V248 HydrophobicContact CG1-CG1 3.76Å; V248-E253 HydrophobicContact CG2-CG 3.93Å; V248-Y256 HydrophobicContact CB-CD2 3.96Å; V248-Y256 HydrophobicContact CB-CE2 3.68Å; V248-Y256 HydrophobicContact CG1-CD1 3.77Å; V248-Y256 HydrophobicContact CG1-CD2 3.52Å; V248-Y256 HydrophobicContact CG1-CE1 3.77Å; V248-Y256 HydrophobicContact CG1-CE2 3.53Å; V248-Y256 HydrophobicContact CG1-CG 3.64Å |
| 249 | P | 95 | Very high | 95.9 | Very high | 46 Ų | 46 | 33.8 Ų | 33.8 | 30% | 0.299 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 140.6 | 170.2 | -20.4 | 32.3 | 0 | 0 | 0 | 111 | H196 G251 Q252 | H196-P249 CarbonylContact O-C 3.57Å; H196-P249 WeakPolarHBondContact O-CA 3.34Å; P249-G251 PolarHBondContact O-N 3.31Å; P249-Q252 HydrophobicContact CB-CB 4.4Å; P249-Q252 HydrophobicContact CB-CG 4.15Å; P249-Q252 WeakPolarHBondContact O-CB 3.34Å; P249-Q252 PolarHBondContact O-N 3.04Å |
| 250 | S | 90.2 | Very high | 96 | Very high | 55 Ų | 55 | 33.2 Ų | 33.2 | 39% | 0.385 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | 132.5 | 177.2 | -61.6 | 0 | 0 | 0 | 0 | 111.5 | H196 E197 Q252 E253 | H196-S250 PolarHBondContact O-N 3.28Å; H196-S250 PolarHBondContact O-OG 3.33Å; E197-S250 PolarHBondContact N-OG 3.04Å; S250-Q252 VanDerWaalsContact C-N 3.3Å; S250-E253 WeakPolarHBondContact CA-OE1 3.21Å |
| 251 | G | 89.3 | Confident | 96 | Very high | 67 Ų | 67 | 36.9 Ų | 36.9 | 69% | 0.691 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 84.2 | -3.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | P249 E253 | P249-G251 PolarHBondContact O-N 3.31Å; G251-E253 WeakPolarHBondContact CA-OE2 3.29Å; G251-E253 VanDerWaalsContact N-CD 3.33Å; G251-E253 PolarHBondContact N-OE1 3.04Å; G251-E253 PolarHBondContact N-OE2 2.7Å |
| 252 | Q | 93.6 | Very high | 95.9 | Very high | 64 Ų | 64 | 35.5 Ų | 35.5 | 30% | 0.299 | 19% | 0.194 | S | C | . | . | trans | -104.3 | 5.2 | 175.8 | -59.7 | -167.6 | 35.5 | 0 | 0 | 113.4 | P249 S250 Q254 R255 Y256 | P249-Q252 HydrophobicContact CB-CB 4.4Å; P249-Q252 HydrophobicContact CB-CG 4.15Å; P249-Q252 WeakPolarHBondContact O-CB 3.34Å; P249-Q252 PolarHBondContact O-N 3.04Å; S250-Q252 VanDerWaalsContact C-N 3.3Å; Q252-Q254 PolarHBondContact O-N 3.4Å; Q252-Q254 VanDerWaalsContact O-N 3.11Å; Q252-R255 WeakPolarHBondContact O-CB 3.43Å; Q252-R255 PolarHBondContact O-N 2.96Å; Q252-Y256 HydrophobicContact CB-CE2 4.36Å; Q252-Y256 VanDerWaalsContact O-CD2 3.31Å; Q252-Y256 WeakPolarHBondContact O-CD2 3.47Å | ||
| 253 | E | 93.4 | Very high | 95.8 | Very high | 19 Ų | 19 | 41.8 Ų | 41.8 | 9% | 0.089 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -54.9 | -36.4 | -174.3 | -59.6 | 79.3 | -175.8 | 0 | 0 | 112.1 | L200 V248 S250 G251 R255 Y256 W273 | L200-E253 HydrophobicContact CD1-CB 4.04Å; L200-E253 HydrophobicContact CD1-CG 4.38Å; L200-E253 HydrophobicContact CD2-CG 4.3Å; V248-E253 HydrophobicContact CG2-CG 3.93Å; S250-E253 WeakPolarHBondContact CA-OE1 3.21Å; G251-E253 WeakPolarHBondContact CA-OE2 3.29Å; G251-E253 VanDerWaalsContact N-CD 3.33Å; G251-E253 PolarHBondContact N-OE1 3.04Å; G251-E253 PolarHBondContact N-OE2 2.7Å; E253-R255 PolarHBondContact O-N 2.89Å; E253-Y256 PolarHBondContact O-N 2.72Å; E253-Y256 VanDerWaalsContact O-N 3.14Å; E253-W273 HydrophobicContact CB-CD2 4.17Å; E253-W273 HydrophobicContact CB-CE3 3.43Å; E253-W273 VanDerWaalsContact CB-CE3 3.43Å; E253-W273 HydrophobicContact CB-CZ3 3.92Å; E253-W273 HydrophobicContact CG-CD2 4.46Å; E253-W273 HydrophobicContact CG-CE3 3.88Å; E253-W273 HydrophobicContact CG-CZ3 4Å |
| 254 | Q | 92.8 | Very high | 95.6 | Very high | 96 Ų | 96 | 41.7 Ų | 41.7 | 45% | 0.449 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -67.8 | -19.4 | -179.7 | -65.2 | -58.2 | -39.6 | 0 | 0 | 114.4 | Q252 Y256 W273 | Q252-Q254 PolarHBondContact O-N 3.4Å; Q252-Q254 VanDerWaalsContact O-N 3.11Å; Q254-Y256 VanDerWaalsContact C-N 3.26Å; Q254-W273 PolarHBondContact NE2-O 2.9Å |
| 255 | R | 95.3 | Very high | 95.6 | Very high | 106 Ų | 106 | 42.9 Ų | 42.9 | 40% | 0.4 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -77 | -17.2 | 176 | -63.1 | 175.1 | 66.9 | -175.1 | 7.9 | 112.1 | R218 D219 Q252 E253 | R218-R255 WeakPolarHBondContact CA-O 3.45Å; R218-R255 HydrophobicContact CG-CB 4.35Å; D219-R255 PolarHBondContact N-O 2.85Å; D219-R255 WeakPolarHBondContact OD1-CB 3.42Å; D219-R255 IonicContact OD1-NE 3.48Å; D219-R255 PolarHBondContact OD1-NE 2.86Å; D219-R255 IonicContact OD2-CZ 3.08Å; D219-R255 IonicContact OD2-NE 2.78Å; D219-R255 PolarHBondContact OD2-NE 2.83Å; D219-R255 IonicContact OD2-NH2 2.62Å; D219-R255 PolarHBondContact OD2-NH2 2.7Å; Q252-R255 WeakPolarHBondContact O-CB 3.43Å; Q252-R255 PolarHBondContact O-N 2.96Å; E253-R255 PolarHBondContact O-N 2.89Å |
| 256 | Y | 96.4 | Very high | 95.5 | Very high | 6 Ų | 6 | 49 Ų | 49 | 2% | 0.024 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 131.5 | -178 | -67.1 | -98.8 | 0 | 0 | 0 | 111 | Q217 R218 Q223 V246 V248 Q252 E253 Q254 | Q217-Y256 CarbonylContact O-C 3.52Å; Q217-Y256 VanDerWaalsContact O-CA 3.27Å; Q217-Y256 WeakPolarHBondContact O-CA 3.18Å; R218-Y256 HydrophobicContact CB-CD1 4.03Å; R218-Y256 HydrophobicContact CB-CE1 3.86Å; R218-Y256 VanDerWaalsContact CD-CZ 3.49Å; R218-Y256 WeakPolarHBondContact CD-OH 3.29Å; R218-Y256 HydrophobicContact CG-CD1 4.4Å; R218-Y256 HydrophobicContact CG-CE1 4.05Å; R218-Y256 HydrophobicContact CG-CE2 4.21Å; Q223-Y256 HydrophobicContact CG-CE1 4.4Å; V246-Y256 HydrophobicContact CG1-CD1 4.07Å; V246-Y256 HydrophobicContact CG2-CD1 4.4Å; V246-Y256 HydrophobicContact CG2-CE1 4.14Å; V248-Y256 HydrophobicContact CB-CD2 3.96Å; V248-Y256 HydrophobicContact CB-CE2 3.68Å; V248-Y256 HydrophobicContact CG1-CD1 3.77Å; V248-Y256 HydrophobicContact CG1-CD2 3.52Å; V248-Y256 HydrophobicContact CG1-CE1 3.77Å; V248-Y256 HydrophobicContact CG1-CE2 3.53Å; V248-Y256 HydrophobicContact CG1-CG 3.64Å; Q252-Y256 HydrophobicContact CB-CE2 4.36Å; Q252-Y256 VanDerWaalsContact O-CD2 3.31Å; Q252-Y256 WeakPolarHBondContact O-CD2 3.47Å; E253-Y256 PolarHBondContact O-N 2.72Å; E253-Y256 VanDerWaalsContact O-N 3.14Å; Q254-Y256 VanDerWaalsContact C-N 3.26Å |
| 257 | T | 97.3 | Very high | 95.4 | Very high | 11 Ų | 11 | 56.7 Ų | 56.7 | 7% | 0.067 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 135 | 176.2 | 55.5 | 0 | 0 | 0 | 0 | 110.7 | W216 Q217 H259 T270 L271 R272 | W216-T257 WeakPolarHBondContact CA-O 3.29Å; W216-T257 VanDerWaalsContact CE3-C 3.48Å; Q217-T257 PolarHBondContact N-O 3.42Å; Q217-T257 PolarHBondContact O-N 2.89Å; T257-H259 PolarHBondContact OG1-NE2 3.2Å; T257-T270 HydrophobicContact CG2-CG2 4.14Å; T257-L271 WeakPolarHBondContact CA-O 3.19Å; T257-R272 HydrophobicContact CG2-CG 3.63Å; T257-R272 VanDerWaalsContact CG2-NE 3.34Å |
| 258 | C | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 128.2 | 170.3 | 174.3 | 0 | 0 | 0 | 0 | 109.4 | M188 C202 T215 W216 T270 L271 | M188-C258 HydrophobicContact CE-CB 3.43Å; M188-C258 VanDerWaalsContact CE-CB 3.43Å; C202-C258 HydrophobicContact CB-CB 3.51Å; C202-C258 WeakPolarHBondContact CB-SG 3.35Å; C202-C258 WeakPolarHBondContact SG-CB 3.45Å; C202-C258 CovalentContact SG-SG 2.03Å; C202-C258 PolarHBondContact SG-SG 3.21Å; T215-C258 CarbonylContact O-C 3.53Å; T215-C258 WeakPolarHBondContact O-CA 3.36Å; W216-C258 HydrophobicContact CD2-CB 4.2Å; W216-C258 HydrophobicContact CE3-CB 4.17Å; W216-C258 HydrophobicContact CH2-CB 4.16Å; W216-C258 HydrophobicContact CZ2-CB 4.15Å; W216-C258 HydrophobicContact CZ3-CB 4.14Å; C258-T270 CarbonylContact O-C 3.6Å; C258-T270 WeakPolarHBondContact O-CA 3.43Å; C258-L271 HydrophobicContact CB-CB 4.26Å; C258-L271 PolarHBondContact N-O 3.12Å; C258-L271 PolarHBondContact O-N 2.97Å |
| 259 | H | 97.8 | Very high | 95.5 | Very high | 33 Ų | 33 | 59.9 Ų | 59.9 | 15% | 0.153 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 128.7 | 177 | -63.7 | -102.3 | 0 | 0 | 0 | 109.6 | L214 T215 Q217 T257 L269 T270 | L214-H259 WeakPolarHBondContact CA-O 3.29Å; T215-H259 PolarHBondContact N-O 3.08Å; T215-H259 PolarHBondContact O-N 3.26Å; Q217-H259 PolarHBondContact OE1-NE2 2.9Å; T257-H259 PolarHBondContact OG1-NE2 3.2Å; H259-L269 WeakPolarHBondContact CA-O 3.3Å; H259-T270 PolarHBondContact CE1-OG1 3.37Å; H259-T270 PolarHBondContact ND1-OG1 3.43Å |
| 260 | V | 98.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 119.2 | -179 | -174.6 | 0 | 0 | 0 | 0 | 108.9 | P184 T186 I212 T213 L214 L265 P268 L269 L271 | P184-V260 HydrophobicContact CG-CG1 3.98Å; T186-V260 HydrophobicContact CG2-CG1 4.3Å; T186-V260 HydrophobicContact CG2-CG2 4.14Å; I212-V260 HydrophobicContact CD1-CG1 3.94Å; I212-V260 HydrophobicContact CG1-CG1 4.3Å; T213-V260 WeakPolarHBondContact O-CA 3.41Å; L214-V260 HydrophobicContact CD1-CG1 4.05Å; L214-V260 HydrophobicContact CG-CG2 4.31Å; V260-L265 HydrophobicContact CG1-CD1 4.16Å; V260-P268 WeakPolarHBondContact O-CA 3.2Å; V260-L269 HydrophobicContact CB-CB 4.33Å; V260-L269 PolarHBondContact N-O 3.11Å; V260-L269 PolarHBondContact O-N 2.88Å; V260-L271 HydrophobicContact CG2-CD1 3.97Å |
| 261 | Q | 98.3 | Very high | 95.9 | Very high | 101 Ų | 101 | 60.6 Ų | 60.6 | 47% | 0.472 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 127.7 | 173.8 | -51.7 | -178.1 | 20 | 0 | 0 | 109.2 | I212 T213 P268 | I212-Q261 VanDerWaalsContact CG1-O 3.31Å; I212-Q261 WeakPolarHBondContact CG1-O 3.28Å; T213-Q261 PolarHBondContact N-O 2.94Å; T213-Q261 PolarHBondContact O-N 2.98Å; Q261-P268 HydrophobicContact CG-CB 4.07Å; Q261-P268 HydrophobicContact CG-CG 4.14Å |
| 262 | H | 97.8 | Very high | 96.1 | Very high | 15 Ų | 15 | 64.8 Ų | 64.8 | 7% | 0.069 | 32% | 0.323 | C | S | . | . | trans | -154.2 | 144.9 | -179.4 | -175.5 | -101.4 | 0 | 0 | 0 | 108.3 | D182 P184 F207 Y208 P209 E211 I212 G264 L265 | D182-H262 PolarHBondContact O-CE1 3.18Å; P184-H262 HydrophobicContact CG-CB 4.14Å; F207-H262 AromaticContact CD2-CD2 3.79Å; F207-H262 AromaticContact CD2-NE2 3.58Å; Y208-H262 PolarHBondContact O-CE1 3.07Å; P209-H262 PolarHBondContact O-NE2 2.84Å; E211-H262 PolarHBondContact O-CD2 2.98Å; E211-H262 VanDerWaalsContact O-CD2 3.28Å; I212-H262 HydrophobicContact CD1-CB 4.25Å; I212-H262 HydrophobicContact CG1-CB 4.04Å; H262-G264 WeakPolarHBondContact ND1-CA 3.03Å; H262-G264 PolarHBondContact ND1-N 3Å; H262-G264 PolarHBondContact O-N 2.82Å; H262-L265 HydrophobicContact CB-CD1 3.97Å; H262-L265 HydrophobicContact CB-CG 4.16Å; H262-L265 WeakPolarHBondContact O-CB 3.37Å; H262-L265 PolarHBondContact O-N 2.04Å | ||
| 263 | E | 95.1 | Very high | 96 | Very high | 153 Ų | 153 | 64 Ų | 64 | 72% | 0.715 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -31.6 | -179.3 | -175.8 | 174 | 179 | 0 | 0 | 112.6 | T181 L265 | T181-E263 HydrophobicContact CG2-CB 4.06Å; T181-E263 HydrophobicContact CG2-CG 4.16Å; E263-L265 PolarHBondContact O-N 3.37Å |
| 264 | G | 94.8 | Very high | 95.5 | Very high | 22 Ų | 22 | 70.7 Ų | 70.7 | 23% | 0.227 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -5.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | H262 | H262-G264 WeakPolarHBondContact ND1-CA 3.03Å; H262-G264 PolarHBondContact ND1-N 3Å; H262-G264 PolarHBondContact O-N 2.82Å |
| 265 | L | 97.2 | Very high | 94.8 | Very high | 24 Ų | 24 | 69.8 Ų | 69.8 | 13% | 0.126 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -99.8 | 127 | 176.5 | -65.1 | 170.3 | 0 | 0 | 0 | 109.7 | A183 P184 V260 H262 E263 K267 L269 | A183-L265 HydrophobicContact CB-CD2 3.99Å; P184-L265 HydrophobicContact CG-CD1 3.87Å; P184-L265 HydrophobicContact CG-CD2 4.4Å; P184-L265 HydrophobicContact CG-CG 4.2Å; V260-L265 HydrophobicContact CG1-CD1 4.16Å; H262-L265 HydrophobicContact CB-CD1 3.97Å; H262-L265 HydrophobicContact CB-CG 4.16Å; H262-L265 WeakPolarHBondContact O-CB 3.37Å; H262-L265 PolarHBondContact O-N 2.04Å; E263-L265 PolarHBondContact O-N 3.37Å; L265-K267 WeakPolarHBondContact CB-O 3.04Å; L265-K267 PolarHBondContact O-N 3.37Å; L265-L269 HydrophobicContact CD1-CB 4.41Å; L265-L269 HydrophobicContact CD1-CD1 3.86Å; L265-L269 HydrophobicContact CD1-CG 3.82Å; L265-L269 HydrophobicContact CD2-CD1 3.56Å; L265-L269 HydrophobicContact CD2-CG 3.86Å; L265-L269 HydrophobicContact CG-CD1 4.37Å; L265-L269 HydrophobicContact CG-CG 4.42Å |
| 266 | P | 95.6 | Very high | 93.2 | Very high | 132 Ų | 132 | 69.5 Ų | 69.5 | 86% | 0.857 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -65.3 | -25 | 177.9 | 27 | -34.6 | 0 | 0 | 0 | 112.5 | ||
| 267 | K | 96.3 | Very high | 90.8 | Very high | 165 Ų | 165 | 74.7 Ų | 74.7 | 72% | 0.717 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -145.9 | 151.3 | 173.4 | -64 | -176.2 | -177.6 | 178 | 0 | 109.1 | L265 L269 | L265-K267 WeakPolarHBondContact CB-O 3.04Å; L265-K267 PolarHBondContact O-N 3.37Å; K267-L269 PolarHBondContact O-N 2.89Å |
| 268 | P | 96.8 | Very high | 88.3 | Confident | 80 Ų | 80 | 81.7 Ų | 81.7 | 52% | 0.519 | 43% | 0.434 | S | S | . | . | trans | -50.9 | 135.3 | 171.8 | -28.2 | 36.5 | 0 | 0 | 0 | 112 | V260 Q261 | V260-P268 WeakPolarHBondContact O-CA 3.2Å; Q261-P268 HydrophobicContact CG-CB 4.07Å; Q261-P268 HydrophobicContact CG-CG 4.14Å | ||
| 269 | L | 97.1 | Very high | 85.6 | Confident | 62 Ų | 62 | 86.9 Ų | 86.9 | 33% | 0.325 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 140.9 | 173.6 | -68 | 176.7 | 0 | 0 | 0 | 109.7 | T186 H259 V260 L265 K267 | T186-L269 HydrophobicContact CG2-CD1 4.43Å; H259-L269 WeakPolarHBondContact CA-O 3.3Å; V260-L269 HydrophobicContact CB-CB 4.33Å; V260-L269 PolarHBondContact N-O 3.11Å; V260-L269 PolarHBondContact O-N 2.88Å; L265-L269 HydrophobicContact CD1-CB 4.41Å; L265-L269 HydrophobicContact CD1-CD1 3.86Å; L265-L269 HydrophobicContact CD1-CG 3.82Å; L265-L269 HydrophobicContact CD2-CD1 3.56Å; L265-L269 HydrophobicContact CD2-CG 3.86Å; L265-L269 HydrophobicContact CG-CD1 4.37Å; L265-L269 HydrophobicContact CG-CG 4.42Å; K267-L269 PolarHBondContact O-N 2.89Å |
| 270 | T | 97 | Very high | 83.4 | Confident | 80 Ų | 80 | 91.6 Ų | 91.6 | 49% | 0.491 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 117.9 | 170.8 | -56.2 | 0 | 0 | 0 | 0 | 108 | T257 C258 H259 | T257-T270 HydrophobicContact CG2-CG2 4.14Å; C258-T270 CarbonylContact O-C 3.6Å; C258-T270 WeakPolarHBondContact O-CA 3.43Å; H259-T270 PolarHBondContact CE1-OG1 3.37Å; H259-T270 PolarHBondContact ND1-OG1 3.43Å |
| 271 | L | 95.8 | Very high | 81.2 | Confident | 36 Ų | 36 | 96.7 Ų | 96.7 | 19% | 0.188 | 53% | 0.525 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 137.8 | -177.8 | -63.7 | 157.9 | 0 | 0 | 0 | 109 | T186 M188 T257 C258 V260 | T186-L271 HydrophobicContact CG2-CD1 4.06Å; M188-L271 HydrophobicContact CE-CB 3.77Å; M188-L271 VanDerWaalsContact CE-O 3.26Å; M188-L271 WeakPolarHBondContact CE-O 3.38Å; T257-L271 WeakPolarHBondContact CA-O 3.19Å; C258-L271 HydrophobicContact CB-CB 4.26Å; C258-L271 PolarHBondContact N-O 3.12Å; C258-L271 PolarHBondContact O-N 2.97Å; V260-L271 HydrophobicContact CG2-CD1 3.97Å |
| 272 | R | 93.5 | Very high | 79.1 | Confident | 156 Ų | 156 | 96 Ų | 96 | 59% | 0.589 | 53% | 0.529 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 151 | 169.4 | -77.8 | -179.2 | -178.8 | 164.7 | 0.8 | 108.7 | T257 E274 | T257-R272 HydrophobicContact CG2-CG 3.63Å; T257-R272 VanDerWaalsContact CG2-NE 3.34Å; R272-E274 PolarHBondContact O-N 2.98Å |
| 273 | W | 91.4 | Very high | 77.3 | Confident | 46 Ų | 46 | 100.7 Ų | 100.7 | 17% | 0.174 | 55% | 0.554 | C | S | . | * | trans | -72.1 | 125.9 | 174.3 | 175.1 | 72.4 | 0 | 0 | 0 | 108.6 | M188 H190 L200 E253 Q254 P275 | M188-W273 WeakPolarHBondContact SD-CA 3.34Å; M188-W273 HydrophobicContact SD-CB 3.81Å; M188-W273 PolarHBondContact SD-N 2.66Å; H190-W273 HydrophobicContact CB-CZ2 4.24Å; H190-W273 VanDerWaalsContact CB-NE1 3.25Å; H190-W273 AromaticContact CD2-CZ2 3.97Å; H190-W273 AromaticContact CG-NE1 3.95Å; L200-W273 HydrophobicContact CD1-CB 4.21Å; L200-W273 HydrophobicContact CD2-CB 3.96Å; L200-W273 HydrophobicContact CD2-CD2 4.34Å; L200-W273 HydrophobicContact CD2-CG 3.78Å; E253-W273 HydrophobicContact CB-CD2 4.17Å; E253-W273 HydrophobicContact CB-CE3 3.43Å; E253-W273 VanDerWaalsContact CB-CE3 3.43Å; E253-W273 HydrophobicContact CB-CZ3 3.92Å; E253-W273 HydrophobicContact CG-CD2 4.46Å; E253-W273 HydrophobicContact CG-CE3 3.88Å; E253-W273 HydrophobicContact CG-CZ3 4Å; Q254-W273 PolarHBondContact NE2-O 2.9Å; W273-P275 HydrophobicContact CE3-CG 4.31Å; W273-P275 HydrophobicContact CH2-CB 3.82Å; W273-P275 HydrophobicContact CH2-CG 3.66Å; W273-P275 HydrophobicContact CZ2-CB 4.05Å; W273-P275 HydrophobicContact CZ2-CG 4.24Å; W273-P275 HydrophobicContact CZ3-CB 4.36Å; W273-P275 HydrophobicContact CZ3-CG 3.68Å | ||
| 274 | E | 83.6 | Confident | 75.5 | Confident | 161 Ų | 161 | 99.1 Ų | 99.1 | 75% | 0.752 | 55% | 0.554 | S | S | * | * | trans | -110.7 | 126.1 | 170 | -73.5 | -178.4 | 178.1 | 0 | 0 | 108.2 | R272 S276 | R272-E274 PolarHBondContact O-N 2.98Å; E274-S276 PolarHBondContact O-N 3.42Å | ||
| 275 | P | 77.1 | Confident | 73.9 | Confident | 77 Ų | 77 | 100.2 Ų | 100.2 | 50% | 0.5 | 57% | 0.566 | S | S | . | * | trans | -57.7 | 126.7 | 171.3 | -11.5 | 20.5 | 0 | 0 | 0 | 108.3 | W273 S277 | W273-P275 HydrophobicContact CE3-CG 4.31Å; W273-P275 HydrophobicContact CH2-CB 3.82Å; W273-P275 HydrophobicContact CH2-CG 3.66Å; W273-P275 HydrophobicContact CZ2-CB 4.05Å; W273-P275 HydrophobicContact CZ2-CG 4.24Å; W273-P275 HydrophobicContact CZ3-CB 4.36Å; W273-P275 HydrophobicContact CZ3-CG 3.68Å; P275-S277 PolarHBondContact O-N 3.43Å | ||
| 276 | S | 61.4 | Low | 72.5 | Confident | 99 Ų | 99 | 103.6 Ų | 103.6 | 69% | 0.692 | 58% | 0.583 | S | S | * | * | trans | -59 | 114.5 | 179.2 | 74 | 0 | 0 | 0 | 0 | 109 | E274 Q278 | E274-S276 PolarHBondContact O-N 3.42Å; S276-Q278 PolarHBondContact O-N 2.98Å | ||
| 277 | S | 46.8 | Very low | 71.3 | Confident | 115 Ų | 115 | 102 Ų | 102 | 80% | 0.804 | 57% | 0.566 | S | S | * | * | trans | -75.4 | 64.6 | 167.1 | 49.3 | 0 | 0 | 0 | 0 | 108.6 | P275 P279 | P275-S277 PolarHBondContact O-N 3.43Å; S277-P279 WeakPolarHBondContact O-CD 3.33Å | ||
| 278 | Q | 44.2 | Very low | 70.1 | Confident | 159 Ų | 159 | 96.4 Ų | 96.4 | 74% | 0.743 | 55% | 0.551 | S | S | * | * | trans | -68.1 | 111.5 | 157.4 | -81.2 | -168.3 | -20.9 | 0 | 0 | 105.6 | S276 T280 | S276-Q278 PolarHBondContact O-N 2.98Å; Q278-T280 PolarHBondContact O-N 3.41Å | ||
| 279 | P | 42.5 | Very low | 69 | Low | 108 Ų | 108 | 94.2 Ų | 94.2 | 70% | 0.701 | 54% | 0.543 | S | S | * | . | trans | -58.6 | 118.2 | 168 | 24.8 | -30.1 | 0 | 0 | 0 | 105.3 | S277 I281 | S277-P279 WeakPolarHBondContact O-CD 3.33Å; P279-I281 PolarHBondContact O-N 3.45Å | ||
| 280 | T | 50.6 | Low | 68.2 | Low | 133 Ų | 133 | 97 Ų | 97 | 82% | 0.816 | 56% | 0.557 | S | S | * | * | trans | -63.2 | 87.7 | 163.8 | -33.1 | 0 | 0 | 0 | 0 | 104.5 | Q278 P282 | Q278-T280 PolarHBondContact O-N 3.41Å; T280-P282 VanDerWaalsContact O-CD 3.25Å; T280-P282 WeakPolarHBondContact O-CD 3.49Å | ||
| 281 | I | 52.8 | Low | 67.3 | Low | 106 Ų | 106 | 97.8 Ų | 97.8 | 54% | 0.544 | 56% | 0.562 | S | S | . | * | trans | -52.7 | 118.5 | 167.7 | -63.6 | 175.9 | 0 | 0 | 0 | 103.1 | P279 I283 I286 | P279-I281 PolarHBondContact O-N 3.45Å; I281-I283 PolarHBondContact O-N 3.41Å; I281-I286 HydrophobicContact CG2-CD1 3.76Å | ||
| 282 | P | 53.9 | Low | 66.2 | Low | 86 Ų | 86 | 101.7 Ų | 101.7 | 56% | 0.558 | 58% | 0.583 | S | S | * | * | trans | -73.2 | 83 | -176.4 | 29 | -32 | 0 | 0 | 0 | 106.6 | T280 V284 G285 I286 | T280-P282 VanDerWaalsContact O-CD 3.25Å; T280-P282 WeakPolarHBondContact O-CD 3.49Å; P282-V284 PolarHBondContact O-N 2.94Å; P282-V284 VanDerWaalsContact O-N 3.11Å; P282-G285 WeakPolarHBondContact O-CA 3.22Å; P282-G285 PolarHBondContact O-N 3Å; P282-I286 PolarHBondContact O-N 2.94Å | ||
| 283 | I | 59.4 | Low | 65.3 | Low | 115 Ų | 115 | 101.5 Ų | 101.5 | 59% | 0.59 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -53.9 | -32.9 | 177.7 | -66.8 | 169.3 | 0 | 0 | 0 | 108.9 | I281 G285 I286 I287 | I281-I283 PolarHBondContact O-N 3.41Å; I283-G285 PolarHBondContact O-N 3.26Å; I283-I286 PolarHBondContact O-N 3.2Å; I283-I287 HydrophobicContact CG2-CD1 3.72Å; I283-I287 HydrophobicContact CG2-CG1 4.35Å; I283-I287 VanDerWaalsContact O-CG1 3.24Å; I283-I287 WeakPolarHBondContact O-CG1 3.31Å; I283-I287 PolarHBondContact O-N 3.07Å |
| 284 | V | 57.6 | Low | 64.6 | Low | 119 Ų | 119 | 100.9 Ų | 100.9 | 72% | 0.721 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -62 | -40.6 | 173.6 | -175.7 | 0 | 0 | 0 | 0 | 112.7 | P282 I287 A288 | P282-V284 PolarHBondContact O-N 2.94Å; P282-V284 VanDerWaalsContact O-N 3.11Å; V284-I287 PolarHBondContact O-N 3.01Å; V284-A288 VanDerWaalsContact O-CB 3.31Å; V284-A288 WeakPolarHBondContact O-CB 3.37Å; V284-A288 PolarHBondContact O-N 3.15Å |
| 285 | G | 61.6 | Low | 64.3 | Low | 46 Ų | 46 | 96.1 Ų | 96.1 | 47% | 0.474 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -69.3 | -36.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | P282 I283 G289 | P282-G285 WeakPolarHBondContact O-CA 3.22Å; P282-G285 PolarHBondContact O-N 3Å; I283-G285 PolarHBondContact O-N 3.26Å; G285-G289 PolarHBondContact O-N 3.17Å |
| 286 | I | 68.5 | Low | 64.4 | Low | 94 Ų | 94 | 97.4 Ų | 97.4 | 48% | 0.482 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -69.4 | -43.3 | 175.7 | -61.5 | 174.5 | 0 | 0 | 0 | 110.5 | I281 P282 I283 G289 L290 | I281-I286 HydrophobicContact CG2-CD1 3.76Å; P282-I286 PolarHBondContact O-N 2.94Å; I283-I286 PolarHBondContact O-N 3.2Å; I286-G289 PolarHBondContact O-N 3.27Å; I286-L290 HydrophobicContact CG2-CD1 3.96Å; I286-L290 HydrophobicContact CG2-CG 4.48Å; I286-L290 WeakPolarHBondContact O-CB 2.84Å; I286-L290 VanDerWaalsContact O-CG 3.31Å; I286-L290 WeakPolarHBondContact O-CG 3.5Å; I286-L290 PolarHBondContact O-N 2.88Å |
| 287 | I | 69.3 | Low | 65.1 | Low | 98 Ų | 98 | 97.2 Ų | 97.2 | 50% | 0.503 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -64.3 | -46.9 | 177 | -67.6 | 169.1 | 0 | 0 | 0 | 110.8 | I283 V284 G289 L290 V291 | I283-I287 HydrophobicContact CG2-CD1 3.72Å; I283-I287 HydrophobicContact CG2-CG1 4.35Å; I283-I287 VanDerWaalsContact O-CG1 3.24Å; I283-I287 WeakPolarHBondContact O-CG1 3.31Å; I283-I287 PolarHBondContact O-N 3.07Å; V284-I287 PolarHBondContact O-N 3.01Å; I287-G289 VanDerWaalsContact C-N 3.32Å; I287-G289 PolarHBondContact O-N 2.96Å; I287-L290 PolarHBondContact O-N 3.44Å; I287-V291 HydrophobicContact CG2-CG2 4.33Å; I287-V291 VanDerWaalsContact O-CG2 3.28Å; I287-V291 WeakPolarHBondContact O-CG2 3.48Å; I287-V291 PolarHBondContact O-N 3.49Å |
| 288 | A | 70.3 | Confident | 66.3 | Low | 49 Ų | 49 | 96 Ų | 96 | 41% | 0.405 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -60.7 | -42 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | V284 V291 L292 | V284-A288 VanDerWaalsContact O-CB 3.31Å; V284-A288 WeakPolarHBondContact O-CB 3.37Å; V284-A288 PolarHBondContact O-N 3.15Å; A288-V291 PolarHBondContact O-N 3.3Å; A288-L292 WeakPolarHBondContact O-CB 3.42Å; A288-L292 WeakPolarHBondContact O-CG 3.44Å; A288-L292 PolarHBondContact O-N 3.3Å |
| 289 | G | 74.7 | Confident | 67.8 | Low | 34 Ų | 34 | 90.4 Ų | 90.4 | 35% | 0.351 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -60.6 | -46.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | G285 I286 I287 L292 F293 | G285-G289 PolarHBondContact O-N 3.17Å; I286-G289 PolarHBondContact O-N 3.27Å; I287-G289 VanDerWaalsContact C-N 3.32Å; I287-G289 PolarHBondContact O-N 2.96Å; G289-L292 PolarHBondContact O-N 3.21Å; G289-F293 WeakPolarHBondContact O-CB 3.49Å; G289-F293 PolarHBondContact O-N 2.93Å |
| 290 | L | 79.5 | Confident | 69.4 | Low | 119 Ų | 119 | 88 Ų | 88 | 62% | 0.623 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -66 | -39.2 | 178.7 | -74.4 | 169.8 | 0 | 0 | 0 | 112.9 | I286 I287 F293 G294 | I286-L290 HydrophobicContact CG2-CD1 3.96Å; I286-L290 HydrophobicContact CG2-CG 4.48Å; I286-L290 WeakPolarHBondContact O-CB 2.84Å; I286-L290 VanDerWaalsContact O-CG 3.31Å; I286-L290 WeakPolarHBondContact O-CG 3.5Å; I286-L290 PolarHBondContact O-N 2.88Å; I287-L290 PolarHBondContact O-N 3.44Å; L290-F293 PolarHBondContact O-N 3.42Å; L290-G294 PolarHBondContact O-N 2.85Å |
| 291 | V | 77.8 | Confident | 70.6 | Confident | 97 Ų | 97 | 85.7 Ų | 85.7 | 59% | 0.588 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.3 | -44 | 176.5 | 171.5 | 0 | 0 | 0 | 0 | 110.8 | I287 A288 G294 A295 | I287-V291 HydrophobicContact CG2-CG2 4.33Å; I287-V291 VanDerWaalsContact O-CG2 3.28Å; I287-V291 WeakPolarHBondContact O-CG2 3.48Å; I287-V291 PolarHBondContact O-N 3.49Å; A288-V291 PolarHBondContact O-N 3.3Å; V291-G294 PolarHBondContact O-N 2.91Å; V291-A295 WeakPolarHBondContact O-CB 3.15Å; V291-A295 PolarHBondContact O-N 3.3Å |
| 292 | L | 74.6 | Confident | 71.7 | Confident | 119 Ų | 119 | 84.3 Ų | 84.3 | 62% | 0.623 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.5 | -44.6 | 175.8 | -75.6 | 167.9 | 0 | 0 | 0 | 111.5 | A288 G289 G294 A295 V296 | A288-L292 WeakPolarHBondContact O-CB 3.42Å; A288-L292 WeakPolarHBondContact O-CG 3.44Å; A288-L292 PolarHBondContact O-N 3.3Å; G289-L292 PolarHBondContact O-N 3.21Å; L292-G294 PolarHBondContact O-N 2.87Å; L292-A295 PolarHBondContact O-N 3.13Å; L292-V296 WeakPolarHBondContact O-CG2 3.47Å; L292-V296 PolarHBondContact O-N 3.28Å |
| 293 | F | 74.6 | Confident | 72.6 | Confident | 151 Ų | 151 | 83 Ų | 83 | 66% | 0.662 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.8 | -43.4 | 177.4 | -127.6 | -91.5 | 0 | 0 | 0 | 111.8 | G289 L290 V296 I297 | G289-F293 WeakPolarHBondContact O-CB 3.49Å; G289-F293 PolarHBondContact O-N 2.93Å; L290-F293 PolarHBondContact O-N 3.42Å; F293-V296 PolarHBondContact O-N 3.42Å; F293-I297 HydrophobicContact CD1-CD1 4.09Å; F293-I297 HydrophobicContact CD1-CG1 4.5Å; F293-I297 WeakPolarHBondContact O-CG1 3.23Å; F293-I297 PolarHBondContact O-N 2.82Å |
| 294 | G | 75.3 | Confident | 73.2 | Confident | 34 Ų | 34 | 80.1 Ų | 80.1 | 35% | 0.351 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.8 | -45.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L290 V291 L292 V296 I297 T298 | L290-G294 PolarHBondContact O-N 2.85Å; V291-G294 PolarHBondContact O-N 2.91Å; L292-G294 PolarHBondContact O-N 2.87Å; G294-V296 PolarHBondContact O-N 3.13Å; G294-I297 PolarHBondContact O-N 3.14Å; G294-T298 WeakPolarHBondContact O-CB 3.45Å; G294-T298 PolarHBondContact O-N 3.43Å; G294-T298 PolarHBondContact O-OG1 3.16Å |
| 295 | A | 77 | Confident | 74 | Confident | 61 Ų | 61 | 78.3 Ų | 78.3 | 50% | 0.504 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.6 | -41.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | V291 L292 T298 G299 | V291-A295 WeakPolarHBondContact O-CB 3.15Å; V291-A295 PolarHBondContact O-N 3.3Å; L292-A295 PolarHBondContact O-N 3.13Å; A295-T298 PolarHBondContact O-N 2.82Å; A295-G299 PolarHBondContact O-N 3.37Å |
| 296 | V | 79.2 | Confident | 74.5 | Confident | 103 Ų | 103 | 82.3 Ų | 82.3 | 62% | 0.624 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64 | -45.8 | 177 | 172.1 | 0 | 0 | 0 | 0 | 111.3 | L292 F293 G294 T298 G299 A300 | L292-V296 WeakPolarHBondContact O-CG2 3.47Å; L292-V296 PolarHBondContact O-N 3.28Å; F293-V296 PolarHBondContact O-N 3.42Å; G294-V296 PolarHBondContact O-N 3.13Å; V296-T298 VanDerWaalsContact C-N 3.34Å; V296-T298 PolarHBondContact O-N 3.19Å; V296-G299 PolarHBondContact O-N 2.89Å; V296-A300 WeakPolarHBondContact O-CB 3.31Å; V296-A300 PolarHBondContact O-N 3.02Å |
| 297 | I | 76.2 | Confident | 74.6 | Confident | 96 Ų | 96 | 87.6 Ų | 87.6 | 49% | 0.492 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.7 | -44.3 | 177.8 | -69.1 | -178.1 | 0 | 0 | 0 | 110.4 | F293 G294 G299 A300 V301 | F293-I297 HydrophobicContact CD1-CD1 4.09Å; F293-I297 HydrophobicContact CD1-CG1 4.5Å; F293-I297 WeakPolarHBondContact O-CG1 3.23Å; F293-I297 PolarHBondContact O-N 2.82Å; G294-I297 PolarHBondContact O-N 3.14Å; I297-G299 PolarHBondContact O-N 3.28Å; I297-A300 PolarHBondContact O-N 2.71Å; I297-V301 HydrophobicContact CG2-CG2 4.36Å; I297-V301 VanDerWaalsContact O-CG2 3.29Å; I297-V301 WeakPolarHBondContact O-CG2 3.48Å; I297-V301 PolarHBondContact O-N 3.26Å |
| 298 | T | 73.4 | Confident | 74.5 | Confident | 88 Ų | 88 | 92.3 Ų | 92.3 | 54% | 0.54 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.5 | -43.6 | 179.6 | -42 | 0 | 0 | 0 | 0 | 110.9 | G294 A295 V296 V301 V302 | G294-T298 WeakPolarHBondContact O-CB 3.45Å; G294-T298 PolarHBondContact O-N 3.43Å; G294-T298 PolarHBondContact O-OG1 3.16Å; A295-T298 PolarHBondContact O-N 2.82Å; V296-T298 VanDerWaalsContact C-N 3.34Å; V296-T298 PolarHBondContact O-N 3.19Å; T298-V301 PolarHBondContact O-N 3.24Å; T298-V302 VanDerWaalsContact O-CG2 3.29Å; T298-V302 WeakPolarHBondContact O-CG2 3.34Å; T298-V302 PolarHBondContact O-N 2.83Å |
| 299 | G | 74.8 | Confident | 74 | Confident | 42 Ų | 42 | 99.2 Ų | 99.2 | 43% | 0.433 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -60.9 | -43.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113 | A295 V296 I297 V302 A303 | A295-G299 PolarHBondContact O-N 3.37Å; V296-G299 PolarHBondContact O-N 2.89Å; I297-G299 PolarHBondContact O-N 3.28Å; G299-V302 PolarHBondContact O-N 3.37Å; G299-A303 WeakPolarHBondContact O-CB 3.41Å; G299-A303 PolarHBondContact O-N 3.14Å |
| 300 | A | 76.1 | Confident | 73 | Confident | 59 Ų | 59 | 106.3 Ų | 106.3 | 49% | 0.488 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -64.3 | -41.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V296 I297 A303 A304 | V296-A300 WeakPolarHBondContact O-CB 3.31Å; V296-A300 PolarHBondContact O-N 3.02Å; I297-A300 PolarHBondContact O-N 2.71Å; A300-A303 PolarHBondContact O-N 3.36Å; A300-A304 WeakPolarHBondContact O-CB 3.06Å; A300-A304 PolarHBondContact O-N 3.31Å |
| 301 | V | 76.8 | Confident | 71.8 | Confident | 83 Ų | 83 | 104.1 Ų | 104.1 | 50% | 0.503 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -65 | -45.2 | 176.6 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | I297 T298 A303 A304 V305 | I297-V301 HydrophobicContact CG2-CG2 4.36Å; I297-V301 VanDerWaalsContact O-CG2 3.29Å; I297-V301 WeakPolarHBondContact O-CG2 3.48Å; I297-V301 PolarHBondContact O-N 3.26Å; T298-V301 PolarHBondContact O-N 3.24Å; V301-A303 PolarHBondContact O-N 3.17Å; V301-A304 PolarHBondContact O-N 3.01Å; V301-V305 HydrophobicContact CG1-CG2 4.33Å; V301-V305 WeakPolarHBondContact O-CB 3.48Å; V301-V305 VanDerWaalsContact O-CG2 3.29Å; V301-V305 WeakPolarHBondContact O-CG2 3.24Å; V301-V305 PolarHBondContact O-N 2.86Å |
| 302 | V | 75.6 | Confident | 70.6 | Confident | 78 Ų | 78 | 103.5 Ų | 103.5 | 47% | 0.473 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -61.6 | -44.5 | 177.1 | 172.8 | 0 | 0 | 0 | 0 | 110.8 | T298 G299 A304 V305 M306 | T298-V302 VanDerWaalsContact O-CG2 3.29Å; T298-V302 WeakPolarHBondContact O-CG2 3.34Å; T298-V302 PolarHBondContact O-N 2.83Å; G299-V302 PolarHBondContact O-N 3.37Å; V302-A304 PolarHBondContact O-N 3.14Å; V302-V305 PolarHBondContact O-N 3.08Å; V302-M306 HydrophobicContact CG1-CG 4.48Å; V302-M306 HydrophobicContact CG1-SD 4.17Å; V302-M306 WeakPolarHBondContact O-CB 3.32Å; V302-M306 WeakPolarHBondContact O-CG 3.44Å; V302-M306 PolarHBondContact O-N 3.11Å |
| 303 | A | 72.4 | Confident | 69.3 | Low | 58 Ų | 58 | 105.3 Ų | 105.3 | 48% | 0.479 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -61.4 | -43.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | G299 A300 V301 M306 W307 | G299-A303 WeakPolarHBondContact O-CB 3.41Å; G299-A303 PolarHBondContact O-N 3.14Å; A300-A303 PolarHBondContact O-N 3.36Å; V301-A303 PolarHBondContact O-N 3.17Å; A303-M306 PolarHBondContact O-N 3.15Å; A303-W307 WeakPolarHBondContact O-CB 3.36Å; A303-W307 PolarHBondContact O-N 2.69Å |
| 304 | A | 73 | Confident | 67.9 | Low | 55 Ų | 55 | 108.5 Ų | 108.5 | 46% | 0.455 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -65.6 | -39.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A300 V301 V302 W307 R308 | A300-A304 WeakPolarHBondContact O-CB 3.06Å; A300-A304 PolarHBondContact O-N 3.31Å; V301-A304 PolarHBondContact O-N 3.01Å; V302-A304 PolarHBondContact O-N 3.14Å; A304-W307 PolarHBondContact O-N 2.93Å; A304-R308 PolarHBondContact O-N 3.14Å |
| 305 | V | 72.4 | Confident | 66.1 | Low | 80 Ų | 80 | 116.6 Ų | 116.6 | 49% | 0.485 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -67.3 | -41.9 | 176 | 170.8 | 0 | 0 | 0 | 0 | 111.1 | V301 V302 W307 R308 R309 | V301-V305 HydrophobicContact CG1-CG2 4.33Å; V301-V305 WeakPolarHBondContact O-CB 3.48Å; V301-V305 VanDerWaalsContact O-CG2 3.29Å; V301-V305 WeakPolarHBondContact O-CG2 3.24Å; V301-V305 PolarHBondContact O-N 2.86Å; V302-V305 PolarHBondContact O-N 3.08Å; V305-W307 VanDerWaalsContact C-N 3.33Å; V305-W307 PolarHBondContact O-N 2.88Å; V305-R308 PolarHBondContact O-N 2.82Å; V305-R309 PolarHBondContact O-N 3.48Å |
| 306 | M | 73.2 | Confident | 64.1 | Low | 130 Ų | 130 | 117.6 Ų | 117.6 | 64% | 0.64 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -63.4 | -39.4 | 174.4 | -73.8 | -176.6 | 68 | 0 | 0 | 111.9 | V302 A303 R309 K310 | V302-M306 HydrophobicContact CG1-CG 4.48Å; V302-M306 HydrophobicContact CG1-SD 4.17Å; V302-M306 WeakPolarHBondContact O-CB 3.32Å; V302-M306 WeakPolarHBondContact O-CG 3.44Å; V302-M306 PolarHBondContact O-N 3.11Å; A303-M306 PolarHBondContact O-N 3.15Å; M306-R309 PolarHBondContact O-N 3.47Å; M306-K310 WeakPolarHBondContact O-CB 3.45Å; M306-K310 PolarHBondContact O-N 3Å |
| 307 | W | 71.4 | Confident | 61.9 | Low | 206 Ų | 206 | 116.5 Ų | 116.5 | 78% | 0.78 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -63.5 | -44.4 | 174 | -159.6 | -51.2 | 0 | 0 | 0 | 111.4 | A303 A304 V305 K310 S311 | A303-W307 WeakPolarHBondContact O-CB 3.36Å; A303-W307 PolarHBondContact O-N 2.69Å; A304-W307 PolarHBondContact O-N 2.93Å; V305-W307 VanDerWaalsContact C-N 3.33Å; V305-W307 PolarHBondContact O-N 2.88Å; W307-K310 PolarHBondContact O-N 3.39Å; W307-S311 PolarHBondContact O-N 2.81Å; W307-S311 PolarHBondContact O-OG 3.22Å |
| 308 | R | 65.7 | Low | 59.8 | Low | 196 Ų | 196 | 117.8 Ų | 117.8 | 74% | 0.74 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -63 | -40 | 175.6 | -94.1 | -173.9 | 176.1 | 175.9 | -0.1 | 113 | A304 V305 K310 S311 S312 | A304-R308 PolarHBondContact O-N 3.14Å; V305-R308 PolarHBondContact O-N 2.82Å; R308-K310 VanDerWaalsContact C-N 3.32Å; R308-K310 PolarHBondContact O-N 3.38Å; R308-S311 WeakPolarHBondContact CA-OG 3.37Å; R308-S311 PolarHBondContact O-N 3.08Å; R308-S311 PolarHBondContact O-OG 3.14Å; R308-S311 VanDerWaalsContact O-OG 3.11Å; R308-S312 WeakPolarHBondContact O-CB 3.32Å; R308-S312 PolarHBondContact O-N 3.34Å; R308-S312 PolarHBondContact O-OG 3.26Å |
| 309 | R | 59.7 | Low | 57.9 | Low | 195 Ų | 195 | 124.3 Ų | 124.3 | 74% | 0.736 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -64.9 | -36.5 | 174.6 | -99.3 | -176.3 | 165.8 | 179.3 | -3.7 | 112.1 | V305 M306 S311 S312 | V305-R309 PolarHBondContact O-N 3.48Å; M306-R309 PolarHBondContact O-N 3.47Å; R309-S311 VanDerWaalsContact C-N 3.35Å; R309-S312 PolarHBondContact O-OG 3.39Å; R309-S312 VanDerWaalsContact O-OG 3.13Å |
| 310 | K | 54.4 | Low | 56 | Low | 182 Ų | 182 | 128.4 Ų | 128.4 | 79% | 0.791 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -73.2 | -24.9 | 176.8 | -164.9 | 173.6 | -179.4 | 179.3 | 0 | 113 | M306 W307 R308 | M306-K310 WeakPolarHBondContact O-CB 3.45Å; M306-K310 PolarHBondContact O-N 3Å; W307-K310 PolarHBondContact O-N 3.39Å; R308-K310 VanDerWaalsContact C-N 3.32Å; R308-K310 PolarHBondContact O-N 3.38Å |
| 311 | S | 53.7 | Low | 53.9 | Low | 73 Ų | 73 | 134.6 Ų | 134.6 | 51% | 0.51 | 71% | 0.71 | S | S | . | * | H | α-helix | trans | -90.7 | -20.5 | 176 | 63.2 | 0 | 0 | 0 | 0 | 114.4 | W307 R308 R309 | W307-S311 PolarHBondContact O-N 2.81Å; W307-S311 PolarHBondContact O-OG 3.22Å; R308-S311 WeakPolarHBondContact CA-OG 3.37Å; R308-S311 PolarHBondContact O-N 3.08Å; R308-S311 PolarHBondContact O-OG 3.14Å; R308-S311 VanDerWaalsContact O-OG 3.11Å; R309-S311 VanDerWaalsContact C-N 3.35Å |
| 312 | S | 52.9 | Low | 51.8 | Low | 85 Ų | 85 | 135 Ų | 135 | 59% | 0.594 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -79.5 | -15.6 | 177.2 | 59 | 0 | 0 | 0 | 0 | 114.7 | R308 R309 R314 | R308-S312 WeakPolarHBondContact O-CB 3.32Å; R308-S312 PolarHBondContact O-N 3.34Å; R308-S312 PolarHBondContact O-OG 3.26Å; R309-S312 PolarHBondContact O-OG 3.39Å; R309-S312 VanDerWaalsContact O-OG 3.13Å; S312-R314 PolarHBondContact O-N 2.9Å |
| 313 | D | 46.8 | Very low | 49.8 | Very low | 156 Ų | 156 | 135.7 Ų | 135.7 | 83% | 0.834 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | 5.5 | 175.8 | -111.8 | -0.8 | 0 | 0 | 0 | 113.8 | ||
| 314 | R | 45.5 | Very low | 47.9 | Very low | 219 Ų | 219 | 138.4 Ų | 138.4 | 83% | 0.826 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.2 | 37.2 | -172.5 | -152.2 | -175.2 | 167.7 | 158 | -2.4 | 116 | S312 | S312-R314 PolarHBondContact O-N 2.9Š|
| 315 | K | 38 | Very low | 46.2 | Very low | 204 Ų | 204 | 140.4 Ų | 140.4 | 89% | 0.887 | 76% | 0.762 | S | S | * | * | trans | -170.8 | 92.4 | 156.1 | -108.9 | 158.3 | -176.2 | -173 | 0 | 112.2 | ||||
| 316 | G | 35.2 | Very low | 44.5 | Very low | 81 Ų | 81 | 143.8 Ų | 143.8 | 84% | 0.835 | 78% | 0.778 | S | S | * | * | trans | -82.8 | 141.3 | 156.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 317 | G | 32.8 | Very low | 43.2 | Very low | 80 Ų | 80 | 142.8 Ų | 142.8 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | trans | 85.3 | 106.9 | 150.8 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 318 | S | 32.3 | Very low | 41.7 | Very low | 124 Ų | 124 | 137.4 Ų | 137.4 | 87% | 0.867 | 78% | 0.783 | S | S | * | * | -177.1 | 130.3 | 112.6 | -172.8 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 319 | Y | 33.7 | Very low | 40.6 | Very low | 225 Ų | 225 | 137.1 Ų | 137.1 | 88% | 0.882 | 79% | 0.79 | S | S | * | * | trans | -67.8 | 148.4 | 170.7 | -85.9 | -105 | 0 | 0 | 0 | 111.7 | ||||
| 320 | S | 33.7 | Very low | 39.5 | Very low | 128 Ų | 128 | 130.7 Ų | 130.7 | 90% | 0.895 | 79% | 0.785 | S | S | * | * | -169.7 | 153.1 | 123 | 39.5 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 321 | Q | 33.2 | Very low | 38.9 | Very low | 188 Ų | 188 | 127.1 Ų | 127.1 | 88% | 0.879 | 78% | 0.782 | S | S | * | * | trans | -88.6 | 158.7 | -157.8 | -141 | 172 | -31.7 | 0 | 0 | 113.9 | ||||
| 322 | A | 31.9 | Very low | 38.3 | Very low | 91 Ų | 91 | 129.9 Ų | 129.9 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | trans | 69.5 | 117.6 | 141.2 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 323 | A | 34 | Very low | 37.7 | Very low | 94 Ų | 94 | 130.9 Ų | 130.9 | 78% | 0.777 | 79% | 0.794 | S | S | * | * | 167.8 | 108.5 | 101.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | |||||
| 324 | S | 32.2 | Very low | 37.3 | Very low | 114 Ų | 114 | 128 Ų | 128 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | 55.1 | 99.9 | 82.3 | 177.3 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 325 | S | 37.8 | Very low | 37.1 | Very low | 97 Ų | 97 | 124.9 Ų | 124.9 | 68% | 0.678 | 79% | 0.785 | S | S | * | * | 178.2 | 128.2 | 112.2 | 55.8 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 326 | D | 37.2 | Very low | 37.2 | Very low | 152 Ų | 152 | 121 Ų | 121 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | trans | 52.5 | 127.5 | 133.9 | -54.3 | -27.5 | 0 | 0 | 0 | 118.7 | ||||
| 327 | S | 44.8 | Very low | 37.3 | Very low | 108 Ų | 108 | 120.9 Ų | 120.9 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | -172.7 | 132.8 | 53.9 | 14.6 | 0 | 0 | 0 | 0 | 106.8 | |||||
| 328 | A | 40 | Very low | 37.6 | Very low | 93 Ų | 93 | 122.8 Ų | 122.8 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | 57.6 | 122.9 | 95.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 329 | Q | 44 | Very low | 37.9 | Very low | 191 Ų | 191 | 126.1 Ų | 126.1 | 89% | 0.893 | 77% | 0.768 | S | S | * | * | cis | -145.5 | 142.7 | 29.8 | -85.5 | 154.6 | -46.6 | 0 | 0 | 107 | ||||
| 330 | G | 34.6 | Very low | 38.4 | Very low | 60 Ų | 60 | 125.7 Ų | 125.7 | 62% | 0.619 | 79% | 0.788 | S | S | * | * | 87 | 96.7 | 64.5 | 0 | 0 | 0 | 0 | 0 | 107.1 | |||||
| 331 | S | 42.8 | Very low | 38.6 | Very low | 106 Ų | 106 | 125.6 Ų | 125.6 | 74% | 0.741 | 78% | 0.783 | S | S | * | * | 106.3 | 140.8 | 96 | -76.3 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 332 | D | 42 | Very low | 38.9 | Very low | 131 Ų | 131 | 122.3 Ų | 122.3 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | cis | -173.3 | 154.7 | 4 | -113.2 | -31.5 | 0 | 0 | 0 | 107.6 | ||||
| 333 | V | 39.4 | Very low | 39.3 | Very low | 106 Ų | 106 | 124 Ų | 124 | 64% | 0.642 | 78% | 0.779 | S | S | * | * | trans | 53.8 | 105.2 | 130.3 | 176.4 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 334 | S | 38 | Very low | 39.6 | Very low | 96 Ų | 96 | 125.8 Ų | 125.8 | 67% | 0.671 | 78% | 0.779 | S | S | * | * | 72.1 | 134.7 | 91.5 | -41 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 335 | L | 41.6 | Very low | 40.1 | Very low | 153 Ų | 153 | 126.5 Ų | 126.5 | 80% | 0.801 | 78% | 0.778 | S | S | * | * | -178.4 | 120.9 | 110.3 | -91.7 | 162.4 | 0 | 0 | 0 | 109.5 | |||||
| 336 | T | 39.7 | Very low | 40.2 | Very low | 123 Ų | 123 | 128.5 Ų | 128.5 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | 6.3 | 149.7 | 116.7 | 3.5 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 337 | A | 38.8 | Very low | 40.4 | Very low | 79 Ų | 79 | 126.8 Ų | 126.8 | 65% | 0.653 | 78% | 0.783 | S | S | * | * | cis | 178.7 | 176.4 | -11.6 | 0 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 338 | C | 38.1 | Very low | 40.1 | Very low | 119 Ų | 119 | 128.2 Ų | 128.2 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | 77.3 | 117.1 | 161.1 | -73.6 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 339 | K | 38.8 | Very low | 40.1 | Very low | 194 Ų | 194 | 131.2 Ų | 131.2 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | 78.7 | 97.9 | 71.7 | -163.1 | -175.3 | -163.3 | -178.6 | 0 | 111.6 | |||||
| 340 | V | 43.8 | Very low | 39.8 | Very low | 216 Ų | 216 | 125.7 Ų | 125.7 | 100% | 1.309 | 78% | 0.776 | S | S | * | * | -140.3 | 0 | 123.7 | 176.7 | 0 | 0 | 0 | 0 | 106.7 |
Retrieved 340 of 340 residues in 1501.7 ms
(Link to these results)