| 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 | 94.9 | Very high | 98.4 | Very high | 97 Ų | 97 | 37.2 Ų | 37.2 | 68% | 0.678 | 21% | 0.205 | S | C | * | . | 0 | 161.9 | 0 | 38.5 | 0 | 0 | 0 | 0 | 107.5 | V102 | S1-V102 WeakPolarHBondContact CA-O 3.34Å; S1-V102 VanDerWaalsContact CB-O 3.29Å; S1-V102 WeakPolarHBondContact CB-O 3.31Å | |||
| 2 | H | 98.2 | Very high | 98.3 | Very high | 43 Ų | 43 | 35.4 Ų | 35.4 | 20% | 0.199 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 158.4 | -178.3 | -64.4 | -76.5 | 0 | 0 | 0 | 111.2 | D28 D101 V102 L167 L171 | H2-D28 VanDerWaalsContact CA-OD1 3.23Å; H2-D28 WeakPolarHBondContact CA-OD1 3.46Å; H2-D28 IonicContact CE1-OD2 3.21Å; H2-D28 IonicContact CG-OD2 3.39Å; H2-D28 IonicContact ND1-OD1 3.55Å; H2-D28 IonicContact ND1-OD2 3.29Å; H2-D28 PolarHBondContact ND1-OD2 2.9Å; H2-D101 WeakPolarHBondContact O-CA 3.33Å; H2-V102 HydrophobicContact CB-CG2 4.04Å; H2-V102 PolarHBondContact N-O 2.71Å; H2-V102 PolarHBondContact O-N 3.06Å; H2-L167 HydrophobicContact CB-CD1 4.37Å; H2-L171 HydrophobicContact CB-CD1 3.71Å; H2-L171 HydrophobicContact CB-CD2 3.97Å; H2-L171 HydrophobicContact CB-CG 4.41Å; H2-L171 VanDerWaalsContact CG-CD2 3.47Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.35Å |
| 3 | S | 98.6 | Very high | 98.2 | Very high | 26 Ų | 26 | 38.2 Ų | 38.2 | 18% | 0.182 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 149 | 178.3 | 65.2 | 0 | 0 | 0 | 0 | 111.4 | V27 D28 C100 D101 | S3-V27 CarbonylContact O-C 3.54Å; S3-V27 VanDerWaalsContact O-CA 3.31Å; S3-V27 WeakPolarHBondContact O-CA 3.19Å; S3-D28 PolarHBondContact N-OD1 3.17Å; S3-D28 PolarHBondContact O-N 3.03Å; S3-D28 PolarHBondContact OG-OD1 3Å; S3-C100 WeakPolarHBondContact CA-O 3.48Å; S3-D101 WeakPolarHBondContact CB-OD1 3.29Å |
| 4 | M | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 125.3 | 165.9 | -173.1 | 169.6 | 65.4 | 0 | 0 | 108.5 | Y6 Y26 V27 F32 G99 C100 C163 W166 L167 Y170 | M4-Y6 HydrophobicContact CE-CE2 4.34Å; M4-Y6 HydrophobicContact CG-CE2 4.36Å; M4-Y6 HydrophobicContact SD-CE2 4.33Å; M4-Y26 CarbonylContact C-O 3.53Å; M4-Y26 WeakPolarHBondContact CA-O 3.5Å; M4-V27 HydrophobicContact CG-CG2 4.33Å; M4-F32 HydrophobicContact CG-CE1 4.44Å; M4-F32 HydrophobicContact SD-CZ 4.39Å; M4-G99 CarbonylContact O-C 3.57Å; M4-G99 WeakPolarHBondContact O-CA 3.32Å; M4-C100 PolarHBondContact N-O 3.36Å; M4-C100 PolarHBondContact O-N 3.18Å; M4-C163 HydrophobicContact CE-CB 4.16Å; M4-C163 WeakPolarHBondContact CE-O 3.42Å; M4-C163 VanDerWaalsContact CE-SG 3.52Å; M4-W166 HydrophobicContact CE-CB 4.09Å; M4-W166 HydrophobicContact SD-CB 4.45Å; M4-L167 HydrophobicContact CB-CB 4.05Å; M4-L167 HydrophobicContact CB-CD1 4.02Å; M4-L167 HydrophobicContact CB-CD2 4.08Å; M4-L167 HydrophobicContact CB-CG 4.25Å; M4-L167 HydrophobicContact CE-CB 4.43Å; M4-L167 HydrophobicContact SD-CB 4.4Å; M4-Y170 HydrophobicContact SD-CD2 3.69Å; M4-Y170 HydrophobicContact SD-CE2 3.51Å; M4-Y170 VanDerWaalsContact SD-CE2 3.51Å |
| 5 | R | 98.8 | Very high | 97.5 | Very high | 45 Ų | 45 | 42.8 Ų | 42.8 | 17% | 0.17 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 137.8 | -176.9 | -56.8 | -62.6 | 179.2 | 79 | 4.2 | 110.9 | F7 G25 Y26 Y98 D101 | R5-F7 HydrophobicContact CB-CD2 4.37Å; R5-F7 HydrophobicContact CB-CE2 3.56Å; R5-F7 HydrophobicContact CB-CZ 3.8Å; R5-F7 HydrophobicContact CG-CZ 4.43Å; R5-G25 CarbonylContact O-C 3.59Å; R5-G25 WeakPolarHBondContact O-CA 3.46Å; R5-Y26 PolarHBondContact N-O 3.45Å; R5-Y26 PolarHBondContact O-N 2.88Å; R5-Y98 WeakPolarHBondContact CA-O 2.84Å; R5-D101 IonicContact CZ-OD1 3.16Å; R5-D101 IonicContact NE-OD1 2.79Å; R5-D101 PolarHBondContact NE-OD1 3.39Å; R5-D101 VanDerWaalsContact NH2-CG 3.34Å; R5-D101 IonicContact NH2-OD1 3.39Å; R5-D101 PolarHBondContact NH2-OD1 2.61Å; R5-D101 IonicContact NH2-OD2 3.54Å; R5-D101 PolarHBondContact NH2-OD2 3.43Å; R5-D101 VanDerWaalsContact NH2-OD2 3.12Å |
| 6 | Y | 98.9 | Very high | 97.3 | Very high | 7 Ų | 7 | 53.1 Ų | 53.1 | 3% | 0.027 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 137.5 | 166.8 | -71.3 | -91.6 | 0 | 0 | 0 | 109.2 | M4 Y8 V24 F32 V33 M97 Y98 | M4-Y6 HydrophobicContact CE-CE2 4.34Å; M4-Y6 HydrophobicContact CG-CE2 4.36Å; M4-Y6 HydrophobicContact SD-CE2 4.33Å; Y6-Y8 HydrophobicContact CD1-CE1 4.29Å; Y6-V24 WeakPolarHBondContact CA-O 3.22Å; Y6-F32 HydrophobicContact CE1-CZ 4.16Å; Y6-F32 AromaticContact CZ-CZ 3.84Å; Y6-V33 HydrophobicContact CE1-CG2 4.06Å; Y6-M97 WeakPolarHBondContact O-CA 3.35Å; Y6-Y98 AromaticContact CD2-CE2 3.75Å; Y6-Y98 HydrophobicContact CD2-CE2 3.75Å; Y6-Y98 AromaticContact CD2-CZ 3.79Å; Y6-Y98 HydrophobicContact CG-CE1 4.33Å; Y6-Y98 HydrophobicContact CG-CE2 4.2Å; Y6-Y98 AromaticContact CG-CZ 3.77Å; Y6-Y98 PolarHBondContact N-O 2.88Å; Y6-Y98 PolarHBondContact O-N 3.3Å |
| 7 | F | 98.9 | Very high | 97 | Very high | 84 Ų | 84 | 53.4 Ų | 53.4 | 37% | 0.368 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 119.3 | 177.8 | -56.8 | -93.8 | 0 | 0 | 0 | 108.9 | R5 A23 V24 Y26 I96 M97 | R5-F7 HydrophobicContact CB-CD2 4.37Å; R5-F7 HydrophobicContact CB-CE2 3.56Å; R5-F7 HydrophobicContact CB-CZ 3.8Å; R5-F7 HydrophobicContact CG-CZ 4.43Å; F7-A23 WeakPolarHBondContact O-CA 3.43Å; F7-V24 HydrophobicContact CB-CG2 3.86Å; F7-V24 HydrophobicContact CD2-CG2 4.27Å; F7-V24 PolarHBondContact N-O 2.62Å; F7-V24 PolarHBondContact O-N 2.87Å; F7-Y26 HydrophobicContact CD2-CD2 4.03Å; F7-Y26 HydrophobicContact CE2-CD2 4.01Å; F7-Y26 HydrophobicContact CE2-CG 4.49Å; F7-I96 CarbonylContact C-O 3.57Å; F7-I96 WeakPolarHBondContact CA-O 3.2Å; F7-M97 HydrophobicContact CD1-CB 4.06Å; F7-M97 HydrophobicContact CD1-CG 3.66Å; F7-M97 HydrophobicContact CE1-CB 4.23Å; F7-M97 HydrophobicContact CE1-CG 3.4Å; F7-M97 VanDerWaalsContact CE1-CG 3.4Å; F7-M97 HydrophobicContact CZ-CG 4.11Å |
| 8 | Y | 98.8 | Very high | 96.9 | Very high | 11 Ų | 11 | 55.5 Ų | 55.5 | 4% | 0.043 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 140.3 | 176.2 | -53.5 | -20.2 | 0 | 0 | 0 | 109.8 | Y6 F21 I22 A23 Q69 Q95 I96 Y98 | Y6-Y8 HydrophobicContact CD1-CE1 4.29Å; Y8-F21 HydrophobicContact CD1-CZ 4.15Å; Y8-F21 HydrophobicContact CD2-CE2 4.25Å; Y8-F21 HydrophobicContact CD2-CZ 4Å; Y8-F21 HydrophobicContact CE2-CZ 4.4Å; Y8-F21 HydrophobicContact CG-CE2 4.18Å; Y8-F21 AromaticContact CG-CZ 3.83Å; Y8-F21 HydrophobicContact CG-CZ 3.83Å; Y8-I22 CarbonylContact C-O 3.57Å; Y8-I22 WeakPolarHBondContact CA-O 3.25Å; Y8-A23 HydrophobicContact CD1-CB 3.34Å; Y8-A23 HydrophobicContact CE1-CB 3.47Å; Y8-A23 VanDerWaalsContact CE1-CB 3.47Å; Y8-A23 HydrophobicContact CG-CB 4.33Å; Y8-Q69 HydrophobicContact CD2-CG 3.72Å; Y8-Q69 HydrophobicContact CE2-CB 4.38Å; Y8-Q69 HydrophobicContact CE2-CG 3.68Å; Y8-Q95 CarbonylContact O-C 3.51Å; Y8-Q95 VanDerWaalsContact O-CA 3.29Å; Y8-Q95 WeakPolarHBondContact O-CA 3.37Å; Y8-I96 HydrophobicContact CD2-CB 4.41Å; Y8-I96 HydrophobicContact CD2-CD1 4.4Å; Y8-I96 PolarHBondContact N-O 2.87Å; Y8-I96 PolarHBondContact O-N 3.26Å; Y8-Y98 HydrophobicContact CD2-CE1 4.25Å; Y8-Y98 HydrophobicContact CE1-CE1 4.16Å; Y8-Y98 AromaticContact CE2-CE1 3.59Å; Y8-Y98 HydrophobicContact CE2-CE1 3.59Å; Y8-Y98 AromaticContact CZ-CE1 3.57Å; Y8-Y98 AromaticContact CZ-CZ 3.97Å; Y8-Y98 PolarHBondContact OH-OH 3.37Å |
| 9 | T | 98.9 | Very high | 96.9 | Very high | 44 Ų | 44 | 53.9 Ų | 53.9 | 27% | 0.27 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 122.3 | 175 | -56.1 | 0 | 0 | 0 | 0 | 109 | V11 F21 I22 T93 I94 Q95 | T9-V11 HydrophobicContact CG2-CG2 3.94Å; T9-F21 WeakPolarHBondContact O-CA 3.32Å; T9-I22 PolarHBondContact N-O 3.04Å; T9-I22 PolarHBondContact O-N 3.08Å; T9-T93 HydrophobicContact CG2-CG2 3.99Å; T9-I94 WeakPolarHBondContact CA-O 3.41Å; T9-Q95 HydrophobicContact CG2-CG 4.28Å |
| 10 | S | 98.8 | Very high | 97 | Very high | 2 Ų | 2 | 55.7 Ų | 55.7 | 1% | 0.014 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 120.1 | 176.9 | -73.7 | 0 | 0 | 0 | 0 | 110 | R20 F21 D73 T93 I94 | S10-R20 CarbonylContact C-O 3.5Å; S10-R20 VanDerWaalsContact CA-O 3.32Å; S10-R20 WeakPolarHBondContact CA-O 3.48Å; S10-F21 WeakPolarHBondContact OG-CD2 3.32Å; S10-D73 WeakPolarHBondContact CB-OD2 3.19Å; S10-D73 WeakPolarHBondContact OG-CB 3.07Å; S10-D73 PolarHBondContact OG-OD2 2.86Å; S10-T93 CarbonylContact O-C 3.59Å; S10-T93 VanDerWaalsContact O-CA 3.29Å; S10-T93 WeakPolarHBondContact O-CA 3.09Å; S10-I94 PolarHBondContact N-O 3.05Å; S10-I94 PolarHBondContact O-N 2.95Å |
| 11 | V | 98.6 | Very high | 97.1 | Very high | 50 Ų | 50 | 53 Ų | 53 | 30% | 0.303 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 114.6 | -176.4 | -172.8 | 0 | 0 | 0 | 0 | 109.8 | T9 P19 R20 H92 T93 | T9-V11 HydrophobicContact CG2-CG2 3.94Å; V11-P19 CarbonylContact O-C 3.56Å; V11-P19 WeakPolarHBondContact O-CA 3.33Å; V11-R20 PolarHBondContact N-O 2.94Å; V11-R20 PolarHBondContact O-N 3.32Å; V11-H92 WeakPolarHBondContact CA-O 3.41Å; V11-T93 HydrophobicContact CG2-CG2 4.18Å |
| 12 | S | 98 | Very high | 97.3 | Very high | 16 Ų | 16 | 50.7 Ų | 50.7 | 11% | 0.112 | 28% | 0.276 | C | S | . | . | trans | -70.1 | 146.1 | 172.7 | 77.4 | 0 | 0 | 0 | 0 | 110.4 | S91 H92 | S12-S91 WeakPolarHBondContact O-CB 3.4Å; S12-S91 PolarHBondContact O-OG 2.89Å; S12-H92 PolarHBondContact N-O 2.9Å; S12-H92 PolarHBondContact OG-N 3.17Å; S12-H92 PolarHBondContact OG-O 2.95Å | ||
| 13 | R | 96.4 | Very high | 97.3 | Very high | 72 Ų | 72 | 48.7 Ų | 48.7 | 27% | 0.272 | 27% | 0.267 | S | S | . | . | trans | -141.7 | 71.9 | -178.4 | 52.2 | 175.8 | 175.2 | -162.1 | -9.8 | 111 | G15 R16 E18 D38 | R13-G15 PolarHBondContact O-N 2.67Å; R13-R16 HydrophobicContact CB-CB 4.13Å; R13-R16 WeakPolarHBondContact CD-O 3.36Å; R13-R16 HydrophobicContact CG-CB 4.17Å; R13-R16 PolarHBondContact NE-O 2.69Å; R13-R16 WeakPolarHBondContact O-CA 3.49Å; R13-R16 PolarHBondContact O-N 2.82Å; R13-E18 VanDerWaalsContact CZ-O 3.31Å; R13-E18 PolarHBondContact NE-O 2.87Å; R13-E18 PolarHBondContact NH2-O 2.9Å; R13-D38 IonicContact CZ-OD1 3.21Å; R13-D38 IonicContact CZ-OD2 2.74Å; R13-D38 IonicContact NH1-OD1 2.67Å; R13-D38 PolarHBondContact NH1-OD1 3.24Å; R13-D38 IonicContact NH1-OD2 3.07Å; R13-D38 PolarHBondContact NH1-OD2 2.95Å; R13-D38 IonicContact NH2-OD1 3.29Å; R13-D38 PolarHBondContact NH2-OD1 2.84Å; R13-D38 IonicContact NH2-OD2 3.5Å | ||
| 14 | P | 93.2 | Very high | 97.3 | Very high | 54 Ų | 54 | 48.9 Ų | 48.9 | 35% | 0.351 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.1 | 133.1 | -178 | -27.3 | 35.3 | 0 | 0 | 0 | 112.1 | R16 E88 G90 | P14-R16 PolarHBondContact O-N 2.98Å; P14-E88 WeakPolarHBondContact CB-O 3.41Å; P14-E88 WeakPolarHBondContact CG-O 3.16Å; P14-G90 VanDerWaalsContact CG-O 3.26Å; P14-G90 WeakPolarHBondContact CG-O 3.21Å |
| 15 | G | 92.9 | Very high | 97.3 | Very high | 91 Ų | 91 | 48.9 Ų | 48.9 | 94% | 0.938 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.8 | 0.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | R13 | R13-G15 PolarHBondContact O-N 2.67Š|
| 16 | R | 94.2 | Very high | 97.3 | Very high | 208 Ų | 208 | 50 Ų | 50 | 79% | 0.785 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -125 | 24 | 180 | -58.4 | -174.3 | -178.9 | -179.2 | 1.3 | 113.7 | R13 P14 | R13-R16 HydrophobicContact CB-CB 4.13Å; R13-R16 WeakPolarHBondContact CD-O 3.36Å; R13-R16 HydrophobicContact CG-CB 4.17Å; R13-R16 PolarHBondContact NE-O 2.69Å; R13-R16 WeakPolarHBondContact O-CA 3.49Å; R13-R16 PolarHBondContact O-N 2.82Å; P14-R16 PolarHBondContact O-N 2.98Å |
| 17 | G | 92.6 | Very high | 97.3 | Very high | 57 Ų | 57 | 49.6 Ų | 49.6 | 59% | 0.588 | 27% | 0.27 | S | S | * | . | S | Bend | trans | 93.8 | -162.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 18 | E | 94.6 | Very high | 97.3 | Very high | 92 Ų | 92 | 47.1 Ų | 47.1 | 43% | 0.43 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -68.7 | 155 | -177.4 | -63.9 | -58.5 | 161.6 | 0 | 0 | 112.7 | R13 R20 R74 | R13-E18 VanDerWaalsContact CZ-O 3.31Å; R13-E18 PolarHBondContact NE-O 2.87Å; R13-E18 PolarHBondContact NH2-O 2.9Å; E18-R20 PolarHBondContact O-N 3.14Å; E18-R74 IonicContact OE1-CZ 3.66Å; E18-R74 IonicContact OE1-NE 3.65Å; E18-R74 IonicContact OE1-NH1 3.87Å; E18-R74 PolarHBondContact OE1-NH1 2.84Å; E18-R74 IonicContact OE1-NH2 3.71Å; E18-R74 PolarHBondContact OE1-NH2 2.87Å; E18-R74 WeakPolarHBondContact OE2-CD 3.34Å; E18-R74 IonicContact OE2-CZ 2.81Å; E18-R74 IonicContact OE2-NE 3.29Å; E18-R74 PolarHBondContact OE2-NE 3.18Å; E18-R74 IonicContact OE2-NH1 3.32Å; E18-R74 PolarHBondContact OE2-NH1 3.49Å; E18-R74 IonicContact OE2-NH2 3.54Å; E18-R74 PolarHBondContact OE2-NH2 3.31Å; E18-R74 VanDerWaalsContact OE2-NH2 3.07Å |
| 19 | P | 97.4 | Very high | 97.2 | Very high | 26 Ų | 26 | 49.7 Ų | 49.7 | 17% | 0.169 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -51.3 | 135.4 | 173 | -25.7 | 34.7 | 0 | 0 | 0 | 111.9 | V11 R74 L77 | V11-P19 CarbonylContact O-C 3.56Å; V11-P19 WeakPolarHBondContact O-CA 3.33Å; P19-R74 HydrophobicContact CG-CB 4.45Å; P19-R74 HydrophobicContact CG-CG 4.25Å; P19-L77 HydrophobicContact CB-CD1 3.55Å; P19-L77 HydrophobicContact CG-CD1 3.65Å |
| 20 | R | 98.4 | Very high | 97.2 | Very high | 88 Ų | 88 | 48.9 Ų | 48.9 | 33% | 0.332 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 128 | 174.1 | -175.4 | -178.1 | -176.3 | -179.7 | -0.3 | 108.7 | S10 V11 E18 I22 D36 S37 D38 | S10-R20 CarbonylContact C-O 3.5Å; S10-R20 VanDerWaalsContact CA-O 3.32Å; S10-R20 WeakPolarHBondContact CA-O 3.48Å; V11-R20 PolarHBondContact N-O 2.94Å; V11-R20 PolarHBondContact O-N 3.32Å; E18-R20 PolarHBondContact O-N 3.14Å; R20-I22 HydrophobicContact CG-CG1 4.31Å; R20-D36 IonicContact CZ-OD1 3.51Å; R20-D36 IonicContact CZ-OD2 3.35Å; R20-D36 IonicContact NE-OD1 3.57Å; R20-D36 PolarHBondContact NE-OD1 2.82Å; R20-D36 IonicContact NE-OD2 3.07Å; R20-D36 IonicContact NH2-OD1 2.72Å; R20-D36 PolarHBondContact NH2-OD1 2.8Å; R20-D36 IonicContact NH2-OD2 2.98Å; R20-D36 PolarHBondContact NH2-OD2 2.87Å; R20-S37 WeakPolarHBondContact CA-OG 3.33Å; R20-D38 VanDerWaalsContact CD-OD2 3.27Å; R20-D38 WeakPolarHBondContact CD-OD2 3.36Å; R20-D38 HydrophobicContact CG-CB 4.44Å; R20-D38 IonicContact NE-OD2 2.83Å |
| 21 | F | 98.8 | Very high | 97.1 | Very high | 1 Ų | 1 | 51.4 Ų | 51.4 | 0% | 0.004 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 126.8 | 175.6 | 177.6 | -84.6 | 0 | 0 | 0 | 109.7 | Y8 T9 S10 A23 F35 S37 V66 Q69 D73 | Y8-F21 HydrophobicContact CD1-CZ 4.15Å; Y8-F21 HydrophobicContact CD2-CE2 4.25Å; Y8-F21 HydrophobicContact CD2-CZ 4Å; Y8-F21 HydrophobicContact CE2-CZ 4.4Å; Y8-F21 HydrophobicContact CG-CE2 4.18Å; Y8-F21 AromaticContact CG-CZ 3.83Å; Y8-F21 HydrophobicContact CG-CZ 3.83Å; T9-F21 WeakPolarHBondContact O-CA 3.32Å; S10-F21 WeakPolarHBondContact OG-CD2 3.32Å; F21-A23 HydrophobicContact CE1-CB 3.6Å; F21-A23 HydrophobicContact CZ-CB 3.95Å; F21-F35 AromaticContact CD1-CD1 3.66Å; F21-F35 HydrophobicContact CD1-CD1 3.66Å; F21-F35 AromaticContact CD1-CE1 3.79Å; F21-F35 HydrophobicContact CD1-CE1 3.79Å; F21-F35 AromaticContact CE1-CD1 3.95Å; F21-F35 HydrophobicContact CE1-CD1 3.95Å; F21-F35 HydrophobicContact CE1-CE1 4.36Å; F21-S37 PolarHBondContact N-OG 2.67Å; F21-S37 PolarHBondContact O-N 2.74Å; F21-S37 PolarHBondContact O-OG 3.01Å; F21-V66 HydrophobicContact CE1-CB 4.02Å; F21-Q69 HydrophobicContact CE2-CB 4.23Å; F21-Q69 HydrophobicContact CE2-CG 3.78Å; F21-Q69 HydrophobicContact CZ-CB 4.14Å; F21-Q69 HydrophobicContact CZ-CG 3.99Å; F21-D73 HydrophobicContact CD2-CB 4.49Å; F21-D73 WeakPolarHBondContact CE2-OD2 3.35Å |
| 22 | I | 98.8 | Very high | 97.1 | Very high | 47 Ų | 47 | 49 Ų | 49 | 24% | 0.241 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 132.4 | 173.7 | -57.7 | 175.2 | 0 | 0 | 0 | 107.9 | Y8 T9 R20 V24 F35 | Y8-I22 CarbonylContact C-O 3.57Å; Y8-I22 WeakPolarHBondContact CA-O 3.25Å; T9-I22 PolarHBondContact N-O 3.04Å; T9-I22 PolarHBondContact O-N 3.08Å; R20-I22 HydrophobicContact CG-CG1 4.31Å; I22-V24 HydrophobicContact CG2-CG1 4.46Å; I22-F35 WeakPolarHBondContact CA-O 3.16Å |
| 23 | A | 98.8 | Very high | 97.2 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.008 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 137.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | F7 Y8 F21 R34 F35 V66 | F7-A23 WeakPolarHBondContact O-CA 3.43Å; Y8-A23 HydrophobicContact CD1-CB 3.34Å; Y8-A23 HydrophobicContact CE1-CB 3.47Å; Y8-A23 VanDerWaalsContact CE1-CB 3.47Å; Y8-A23 HydrophobicContact CG-CB 4.33Å; F21-A23 HydrophobicContact CE1-CB 3.6Å; F21-A23 HydrophobicContact CZ-CB 3.95Å; A23-R34 CarbonylContact O-C 3.54Å; A23-R34 VanDerWaalsContact O-CA 3.3Å; A23-R34 WeakPolarHBondContact O-CA 3.38Å; A23-F35 HydrophobicContact CB-CB 4.3Å; A23-F35 PolarHBondContact N-O 3.3Å; A23-F35 PolarHBondContact O-N 3.02Å; A23-V66 HydrophobicContact CB-CG1 4.17Å |
| 24 | V | 98.9 | Very high | 97.3 | Very high | 30 Ų | 30 | 49 Ų | 49 | 18% | 0.182 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 144.9 | 172.2 | -63 | 0 | 0 | 0 | 0 | 110.1 | Y6 F7 I22 Y26 Q31 V33 R34 | Y6-V24 WeakPolarHBondContact CA-O 3.22Å; F7-V24 HydrophobicContact CB-CG2 3.86Å; F7-V24 HydrophobicContact CD2-CG2 4.27Å; F7-V24 PolarHBondContact N-O 2.62Å; F7-V24 PolarHBondContact O-N 2.87Å; I22-V24 HydrophobicContact CG2-CG1 4.46Å; V24-Y26 HydrophobicContact CB-CE2 4.13Å; V24-Y26 HydrophobicContact CG2-CD2 4.31Å; V24-Y26 HydrophobicContact CG2-CE2 3.81Å; V24-Q31 VanDerWaalsContact CG1-NE2 3.3Å; V24-V33 WeakPolarHBondContact CA-O 3.43Å; V24-R34 HydrophobicContact CG1-CB 4.41Å; V24-R34 HydrophobicContact CG1-CG 4.21Å |
| 25 | G | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 138.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | R5 Q31 F32 V33 | R5-G25 CarbonylContact O-C 3.59Å; R5-G25 WeakPolarHBondContact O-CA 3.46Å; G25-Q31 WeakPolarHBondContact O-CA 3.34Å; G25-F32 WeakPolarHBondContact O-CD1 3.35Å; G25-F32 PolarHBondContact O-N 2.95Å; G25-V33 PolarHBondContact N-O 2.96Å; G25-V33 VanDerWaalsContact N-O 3.14Å |
| 26 | Y | 98.8 | Very high | 97.8 | Very high | 68 Ų | 68 | 42.9 Ų | 42.9 | 27% | 0.267 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 142 | 178.5 | -78 | -102.2 | 0 | 0 | 0 | 111 | M4 R5 F7 V24 T30 Q31 | M4-Y26 CarbonylContact C-O 3.53Å; M4-Y26 WeakPolarHBondContact CA-O 3.5Å; R5-Y26 PolarHBondContact N-O 3.45Å; R5-Y26 PolarHBondContact O-N 2.88Å; F7-Y26 HydrophobicContact CD2-CD2 4.03Å; F7-Y26 HydrophobicContact CE2-CD2 4.01Å; F7-Y26 HydrophobicContact CE2-CG 4.49Å; V24-Y26 HydrophobicContact CB-CE2 4.13Å; V24-Y26 HydrophobicContact CG2-CD2 4.31Å; V24-Y26 HydrophobicContact CG2-CE2 3.81Å; Y26-T30 WeakPolarHBondContact CA-O 3.4Å; Y26-T30 VanDerWaalsContact CD1-C 3.49Å; Y26-Q31 HydrophobicContact CD1-CB 4.1Å; Y26-Q31 HydrophobicContact CD2-CG 4.38Å; Y26-Q31 HydrophobicContact CE1-CB 3.59Å; Y26-Q31 HydrophobicContact CE1-CG 4.34Å; Y26-Q31 HydrophobicContact CE2-CB 4.05Å; Y26-Q31 HydrophobicContact CE2-CG 3.87Å |
| 27 | V | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 118.1 | 156.2 | 177.2 | 0 | 0 | 0 | 0 | 106.2 | S3 M4 D29 T30 F32 W50 L167 Y170 L171 L178 | S3-V27 CarbonylContact O-C 3.54Å; S3-V27 VanDerWaalsContact O-CA 3.31Å; S3-V27 WeakPolarHBondContact O-CA 3.19Å; M4-V27 HydrophobicContact CG-CG2 4.33Å; V27-D29 PolarHBondContact O-N 3.29Å; V27-T30 PolarHBondContact N-O 3.06Å; V27-T30 WeakPolarHBondContact O-CB 3.31Å; V27-T30 PolarHBondContact O-N 3.16Å; V27-F32 HydrophobicContact CG2-CD1 4.07Å; V27-F32 HydrophobicContact CG2-CE1 4.11Å; V27-W50 HydrophobicContact CG2-CH2 3.92Å; V27-W50 HydrophobicContact CG2-CZ2 4.38Å; V27-L167 HydrophobicContact CG1-CD1 3.6Å; V27-L167 HydrophobicContact CG2-CD1 4.22Å; V27-Y170 HydrophobicContact CG2-CD2 3.93Å; V27-Y170 HydrophobicContact CG2-CG 4.49Å; V27-L171 HydrophobicContact CG1-CD2 4.08Å; V27-L178 HydrophobicContact CB-CD1 4.27Å; V27-L178 HydrophobicContact CB-CD2 4.05Å; V27-L178 HydrophobicContact CG1-CD1 3.92Å; V27-L178 HydrophobicContact CG1-CD2 4.03Å; V27-L178 HydrophobicContact CG1-CG 4.48Å |
| 28 | D | 97.9 | Very high | 98.2 | Very high | 31 Ų | 31 | 34.2 Ų | 34.2 | 17% | 0.166 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48 | -125.3 | -166.4 | -52.9 | -41 | 0 | 0 | 0 | 111 | H2 S3 T30 | H2-D28 VanDerWaalsContact CA-OD1 3.23Å; H2-D28 WeakPolarHBondContact CA-OD1 3.46Å; H2-D28 IonicContact CE1-OD2 3.21Å; H2-D28 IonicContact CG-OD2 3.39Å; H2-D28 IonicContact ND1-OD1 3.55Å; H2-D28 IonicContact ND1-OD2 3.29Å; H2-D28 PolarHBondContact ND1-OD2 2.9Å; S3-D28 PolarHBondContact N-OD1 3.17Å; S3-D28 PolarHBondContact O-N 3.03Å; S3-D28 PolarHBondContact OG-OD1 3Å; D28-T30 VanDerWaalsContact C-N 3.31Å |
| 29 | D | 97.6 | Very high | 98.3 | Very high | 65 Ų | 65 | 31.4 Ų | 31.4 | 35% | 0.348 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | 10 | 179.5 | -64.7 | -51.3 | 0 | 0 | 0 | 113.4 | V27 Y208 P209 A210 F240 | V27-D29 PolarHBondContact O-N 3.29Å; D29-Y208 HydrophobicContact CB-CE2 3.82Å; D29-P209 WeakPolarHBondContact OD2-CB 3.5Å; D29-A210 WeakPolarHBondContact OD2-CB 3.43Å; D29-A210 PolarHBondContact OD2-N 2.87Å; D29-F240 HydrophobicContact CB-CE2 3.8Å; D29-F240 HydrophobicContact CB-CZ 3.77Å |
| 30 | T | 98 | Very high | 98.2 | Very high | 27 Ų | 27 | 35.7 Ų | 35.7 | 17% | 0.166 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 113.5 | -176.8 | -60.9 | 0 | 0 | 0 | 0 | 111.8 | Y26 V27 D28 F32 L178 Y208 | Y26-T30 WeakPolarHBondContact CA-O 3.4Å; Y26-T30 VanDerWaalsContact CD1-C 3.49Å; V27-T30 PolarHBondContact N-O 3.06Å; V27-T30 WeakPolarHBondContact O-CB 3.31Å; V27-T30 PolarHBondContact O-N 3.16Å; D28-T30 VanDerWaalsContact C-N 3.31Å; T30-F32 PolarHBondContact O-N 3.5Å; T30-L178 HydrophobicContact CG2-CD2 3.98Å; T30-Y208 PolarHBondContact OG1-OH 3.37Å |
| 31 | Q | 98.4 | Very high | 97.8 | Very high | 55 Ų | 55 | 34.5 Ų | 34.5 | 26% | 0.257 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 130.2 | 172.7 | -167.9 | -179.4 | -2.7 | 0 | 0 | 110.5 | V24 G25 Y26 V33 R47 | V24-Q31 VanDerWaalsContact CG1-NE2 3.3Å; G25-Q31 WeakPolarHBondContact O-CA 3.34Å; Y26-Q31 HydrophobicContact CD1-CB 4.1Å; Y26-Q31 HydrophobicContact CD2-CG 4.38Å; Y26-Q31 HydrophobicContact CE1-CB 3.59Å; Y26-Q31 HydrophobicContact CE1-CG 4.34Å; Y26-Q31 HydrophobicContact CE2-CB 4.05Å; Y26-Q31 HydrophobicContact CE2-CG 3.87Å; Q31-V33 PolarHBondContact NE2-O 3.18Å; Q31-R47 HydrophobicContact CG-CB 4.19Å; Q31-R47 HydrophobicContact CG-CG 4.44Å |
| 32 | F | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | -22.1 | -179.2 | 75 | -84.3 | 0 | 0 | 0 | 114.6 | M4 Y6 G25 V27 T30 R47 A48 W50 I51 Y170 | M4-F32 HydrophobicContact CG-CE1 4.44Å; M4-F32 HydrophobicContact SD-CZ 4.39Å; Y6-F32 HydrophobicContact CE1-CZ 4.16Å; Y6-F32 AromaticContact CZ-CZ 3.84Å; G25-F32 WeakPolarHBondContact O-CD1 3.35Å; G25-F32 PolarHBondContact O-N 2.95Å; V27-F32 HydrophobicContact CG2-CD1 4.07Å; V27-F32 HydrophobicContact CG2-CE1 4.11Å; T30-F32 PolarHBondContact O-N 3.5Å; F32-R47 PolarHBondContact O-N 3.4Å; F32-A48 HydrophobicContact CB-CB 4.08Å; F32-W50 HydrophobicContact CB-CH2 3.16Å; F32-W50 HydrophobicContact CB-CZ2 3.31Å; F32-W50 HydrophobicContact CB-CZ3 4.01Å; F32-W50 HydrophobicContact CD1-CH2 4.01Å; F32-W50 AromaticContact CD2-CH2 3.74Å; F32-W50 HydrophobicContact CD2-CH2 3.74Å; F32-W50 HydrophobicContact CD2-CZ3 4.06Å; F32-W50 AromaticContact CG-CH2 3.39Å; F32-W50 HydrophobicContact CG-CH2 3.39Å; F32-W50 HydrophobicContact CG-CZ2 4.03Å; F32-W50 HydrophobicContact CG-CZ3 4.17Å; F32-I51 HydrophobicContact CD2-CB 4.42Å; F32-I51 HydrophobicContact CD2-CD1 3.97Å; F32-I51 HydrophobicContact CD2-CG1 4.03Å; F32-I51 HydrophobicContact CE2-CD1 4.29Å; F32-I51 VanDerWaalsContact O-CG2 3.28Å; F32-I51 WeakPolarHBondContact O-CG2 2.93Å; F32-Y170 HydrophobicContact CD2-CE2 4.47Å; F32-Y170 HydrophobicContact CE2-CD2 4.37Å; F32-Y170 AromaticContact CE2-CE2 3.71Å; F32-Y170 HydrophobicContact CE2-CE2 3.71Å; F32-Y170 HydrophobicContact CZ-CD2 4.41Å; F32-Y170 AromaticContact CZ-CE2 3.84Å; F32-Y170 HydrophobicContact CZ-CE2 3.84Å |
| 33 | V | 98.7 | Very high | 97.6 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.006 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 156.5 | 176.6 | -72.4 | 0 | 0 | 0 | 0 | 113 | Y6 V24 G25 Q31 M44 E45 I51 W59 | Y6-V33 HydrophobicContact CE1-CG2 4.06Å; V24-V33 WeakPolarHBondContact CA-O 3.43Å; G25-V33 PolarHBondContact N-O 2.96Å; G25-V33 VanDerWaalsContact N-O 3.14Å; Q31-V33 PolarHBondContact NE2-O 3.18Å; V33-M44 HydrophobicContact CB-CG 4.1Å; V33-M44 HydrophobicContact CB-SD 3.66Å; V33-M44 HydrophobicContact CG1-CG 4.15Å; V33-M44 HydrophobicContact CG1-SD 4.37Å; V33-M44 HydrophobicContact CG2-SD 4.05Å; V33-E45 VanDerWaalsContact CA-O 3.3Å; V33-E45 WeakPolarHBondContact CA-O 3.47Å; V33-I51 HydrophobicContact CG1-CG1 4.34Å; V33-W59 HydrophobicContact CG1-CH2 4.01Å; V33-W59 HydrophobicContact CG1-CZ3 3.84Å |
| 34 | R | 98.6 | Very high | 97.5 | Very high | 88 Ų | 88 | 43.9 Ų | 43.9 | 33% | 0.332 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 143.4 | 172.1 | 178.9 | 175 | 170.6 | 168.2 | -2.7 | 111.5 | A23 V24 D36 E45 R47 | A23-R34 CarbonylContact O-C 3.54Å; A23-R34 VanDerWaalsContact O-CA 3.3Å; A23-R34 WeakPolarHBondContact O-CA 3.38Å; V24-R34 HydrophobicContact CG1-CB 4.41Å; V24-R34 HydrophobicContact CG1-CG 4.21Å; R34-D36 IonicContact NH2-OD2 3.53Å; R34-D36 PolarHBondContact NH2-OD2 2.87Å; R34-E45 PolarHBondContact N-O 3.48Å; R34-E45 PolarHBondContact O-N 3.22Å; R34-R47 HydrophobicContact CB-CG 3.92Å |
| 35 | F | 98.8 | Very high | 97.5 | Very high | 2 Ų | 2 | 45.4 Ų | 45.4 | 1% | 0.009 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 144.8 | 163.6 | 176.1 | -85.1 | 0 | 0 | 0 | 109.7 | F21 I22 A23 Q42 R43 M44 V66 K67 | F21-F35 AromaticContact CD1-CD1 3.66Å; F21-F35 HydrophobicContact CD1-CD1 3.66Å; F21-F35 AromaticContact CD1-CE1 3.79Å; F21-F35 HydrophobicContact CD1-CE1 3.79Å; F21-F35 AromaticContact CE1-CD1 3.95Å; F21-F35 HydrophobicContact CE1-CD1 3.95Å; F21-F35 HydrophobicContact CE1-CE1 4.36Å; I22-F35 WeakPolarHBondContact CA-O 3.16Å; A23-F35 HydrophobicContact CB-CB 4.3Å; A23-F35 PolarHBondContact N-O 3.3Å; A23-F35 PolarHBondContact O-N 3.02Å; F35-Q42 HydrophobicContact CE2-CB 4.12Å; F35-Q42 HydrophobicContact CZ-CB 4.13Å; F35-R43 VanDerWaalsContact CD2-C 3.5Å; F35-R43 WeakPolarHBondContact CD2-O 3.31Å; F35-M44 HydrophobicContact CB-CE 4.19Å; F35-M44 HydrophobicContact CB-SD 3.97Å; F35-V66 HydrophobicContact CB-CB 4.46Å; F35-V66 HydrophobicContact CB-CG2 3.93Å; F35-V66 HydrophobicContact CD1-CB 4.34Å; F35-V66 HydrophobicContact CD1-CG2 3.98Å; F35-V66 HydrophobicContact CD2-CB 4.45Å; F35-V66 HydrophobicContact CD2-CG2 3.32Å; F35-V66 HydrophobicContact CE1-CG2 4.33Å; F35-V66 HydrophobicContact CE2-CG2 3.72Å; F35-V66 HydrophobicContact CG-CB 4.18Å; F35-V66 HydrophobicContact CG-CG2 3.47Å; F35-V66 VanDerWaalsContact CG-CG2 3.47Å; F35-V66 HydrophobicContact CZ-CG2 4.21Å; F35-K67 HydrophobicContact CE2-CG 4.14Å; F35-K67 HydrophobicContact CZ-CG 3.97Å |
| 36 | D | 98.6 | Very high | 97.5 | Very high | 14 Ų | 14 | 47.8 Ų | 47.8 | 8% | 0.075 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 119.5 | 176 | -165.2 | -26.3 | 0 | 0 | 0 | 109.2 | R20 R34 D38 A39 | R20-D36 IonicContact CZ-OD1 3.51Å; R20-D36 IonicContact CZ-OD2 3.35Å; R20-D36 IonicContact NE-OD1 3.57Å; R20-D36 PolarHBondContact NE-OD1 2.82Å; R20-D36 IonicContact NE-OD2 3.07Å; R20-D36 IonicContact NH2-OD1 2.72Å; R20-D36 PolarHBondContact NH2-OD1 2.8Å; R20-D36 IonicContact NH2-OD2 2.98Å; R20-D36 PolarHBondContact NH2-OD2 2.87Å; R34-D36 IonicContact NH2-OD2 3.53Å; R34-D36 PolarHBondContact NH2-OD2 2.87Å; D36-D38 PolarHBondContact O-N 3.19Å; D36-D38 PolarHBondContact OD1-N 2.9Å; D36-D38 VanDerWaalsContact OD1-N 3.15Å; D36-A39 HydrophobicContact CB-CB 4.19Å; D36-A39 WeakPolarHBondContact O-CB 3.47Å; D36-A39 PolarHBondContact O-N 2.94Å; D36-A39 VanDerWaalsContact O-N 3.09Å |
| 37 | S | 98.1 | Very high | 97.4 | Very high | 14 Ų | 14 | 50.2 Ų | 50.2 | 10% | 0.098 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -21.1 | -179 | 67 | 0 | 0 | 0 | 0 | 113 | R20 F21 Q42 | R20-S37 WeakPolarHBondContact CA-OG 3.33Å; F21-S37 PolarHBondContact N-OG 2.67Å; F21-S37 PolarHBondContact O-N 2.74Å; F21-S37 PolarHBondContact O-OG 3.01Å; S37-Q42 PolarHBondContact O-NE2 3.1Å |
| 38 | D | 97.5 | Very high | 97.4 | Very high | 69 Ų | 69 | 50.4 Ų | 50.4 | 37% | 0.369 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -5.1 | 178 | -75.1 | 3.5 | 0 | 0 | 0 | 112.6 | R13 R20 D36 | R13-D38 IonicContact CZ-OD1 3.21Å; R13-D38 IonicContact CZ-OD2 2.74Å; R13-D38 IonicContact NH1-OD1 2.67Å; R13-D38 PolarHBondContact NH1-OD1 3.24Å; R13-D38 IonicContact NH1-OD2 3.07Å; R13-D38 PolarHBondContact NH1-OD2 2.95Å; R13-D38 IonicContact NH2-OD1 3.29Å; R13-D38 PolarHBondContact NH2-OD1 2.84Å; R13-D38 IonicContact NH2-OD2 3.5Å; R20-D38 VanDerWaalsContact CD-OD2 3.27Å; R20-D38 WeakPolarHBondContact CD-OD2 3.36Å; R20-D38 HydrophobicContact CG-CB 4.44Å; R20-D38 IonicContact NE-OD2 2.83Å; D36-D38 PolarHBondContact O-N 3.19Å; D36-D38 PolarHBondContact OD1-N 2.9Å; D36-D38 VanDerWaalsContact OD1-N 3.15Å |
| 39 | A | 96.5 | Very high | 97.3 | Very high | 32 Ų | 32 | 53.9 Ų | 53.9 | 26% | 0.264 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -68.9 | 146 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | D36 S41 Q42 | D36-A39 HydrophobicContact CB-CB 4.19Å; D36-A39 WeakPolarHBondContact O-CB 3.47Å; D36-A39 PolarHBondContact O-N 2.94Å; D36-A39 VanDerWaalsContact O-N 3.09Å; A39-S41 VanDerWaalsContact C-N 3.29Å; A39-S41 PolarHBondContact O-N 2.89Å; A39-Q42 WeakPolarHBondContact O-CG 3.4Å |
| 40 | A | 95.3 | Very high | 97.3 | Very high | 117 Ų | 117 | 51.5 Ų | 51.5 | 97% | 0.967 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -60.3 | -39.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 41 | S | 88.8 | Confident | 97.3 | Very high | 62 Ų | 62 | 50.2 Ų | 50.2 | 43% | 0.434 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -104.5 | 87.4 | 171.8 | -176.4 | 0 | 0 | 0 | 0 | 107.8 | A39 R43 | A39-S41 VanDerWaalsContact C-N 3.29Å; A39-S41 PolarHBondContact O-N 2.89Å; S41-R43 PolarHBondContact O-N 3.27Å |
| 42 | Q | 95.7 | Very high | 97.2 | Very high | 89 Ų | 89 | 53.7 Ų | 53.7 | 42% | 0.416 | 29% | 0.286 | S | S | . | . | trans | -65 | 78.7 | 177.3 | -64.6 | 176.3 | -15.7 | 0 | 0 | 110.7 | F35 S37 A39 K67 | F35-Q42 HydrophobicContact CE2-CB 4.12Å; F35-Q42 HydrophobicContact CZ-CB 4.13Å; S37-Q42 PolarHBondContact O-NE2 3.1Å; A39-Q42 WeakPolarHBondContact O-CG 3.4Å; Q42-K67 WeakPolarHBondContact O-CE 3.43Å; Q42-K67 PolarHBondContact O-NZ 3.34Å | ||
| 43 | R | 97.8 | Very high | 97.1 | Very high | 149 Ų | 149 | 59.2 Ų | 59.2 | 56% | 0.562 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -134.9 | 155.2 | -178.9 | -68.6 | -171.3 | 174.5 | -163.4 | -4.6 | 110.2 | F35 S41 E45 T63 | F35-R43 VanDerWaalsContact CD2-C 3.5Å; F35-R43 WeakPolarHBondContact CD2-O 3.31Å; S41-R43 PolarHBondContact O-N 3.27Å; R43-E45 PolarHBondContact O-N 2.96Å; R43-T63 HydrophobicContact CB-CG2 4.46Å; R43-T63 HydrophobicContact CG-CG2 4.34Å |
| 44 | M | 98.3 | Very high | 97.1 | Very high | 9 Ų | 9 | 59.8 Ų | 59.8 | 4% | 0.044 | 31% | 0.314 | C | S | . | . | trans | -70.3 | 126.8 | 167.2 | -172.5 | 63.7 | 81.8 | 0 | 0 | 108.2 | V33 F35 W59 E62 T63 V66 | V33-M44 HydrophobicContact CB-CG 4.1Å; V33-M44 HydrophobicContact CB-SD 3.66Å; V33-M44 HydrophobicContact CG1-CG 4.15Å; V33-M44 HydrophobicContact CG1-SD 4.37Å; V33-M44 HydrophobicContact CG2-SD 4.05Å; F35-M44 HydrophobicContact CB-CE 4.19Å; F35-M44 HydrophobicContact CB-SD 3.97Å; M44-W59 HydrophobicContact CB-CE3 4.23Å; M44-W59 HydrophobicContact CB-CZ3 4.49Å; M44-W59 HydrophobicContact CG-CE3 4.13Å; M44-W59 HydrophobicContact CG-CZ3 3.94Å; M44-E62 HydrophobicContact CB-CB 4.13Å; M44-E62 HydrophobicContact CE-CB 4.48Å; M44-E62 HydrophobicContact CG-CB 4.1Å; M44-T63 PolarHBondContact N-OG1 3.24Å; M44-V66 HydrophobicContact CE-CB 4.37Å; M44-V66 HydrophobicContact CE-CG1 3.35Å; M44-V66 HydrophobicContact CE-CG2 4.18Å | ||
| 45 | E | 98.2 | Very high | 97 | Very high | 62 Ų | 62 | 57.7 Ų | 57.7 | 29% | 0.29 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 140.4 | -174.3 | -64.1 | 176.4 | 154.6 | 0 | 0 | 111 | V33 R34 R43 R47 | V33-E45 VanDerWaalsContact CA-O 3.3Å; V33-E45 WeakPolarHBondContact CA-O 3.47Å; R34-E45 PolarHBondContact N-O 3.48Å; R34-E45 PolarHBondContact O-N 3.22Å; R43-E45 PolarHBondContact O-N 2.96Å; E45-R47 IonicContact OE2-CZ 3.66Å; E45-R47 IonicContact OE2-NH2 3.67Å; E45-R47 PolarHBondContact OE2-NH2 2.94Å |
| 46 | P | 98.3 | Very high | 96.9 | Very high | 49 Ų | 49 | 64.3 Ų | 64.3 | 32% | 0.318 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 144.5 | 173.1 | 29 | -34.3 | 0 | 0 | 0 | 111.3 | I51 E52 W59 | P46-I51 HydrophobicContact CB-CG2 3.69Å; P46-E52 HydrophobicContact CB-CG 3.81Å; P46-E52 HydrophobicContact CG-CG 4.11Å; P46-W59 HydrophobicContact CB-CH2 3.62Å; P46-W59 HydrophobicContact CB-CZ2 3.95Å; P46-W59 HydrophobicContact CG-CH2 4.26Å; P46-W59 HydrophobicContact CG-CZ2 4.4Å |
| 47 | R | 97.9 | Very high | 96.8 | Very high | 119 Ų | 119 | 71.8 Ų | 71.8 | 45% | 0.449 | 39% | 0.389 | S | S | . | . | trans | -129 | -1.1 | 174.3 | -60.1 | -63.7 | 172 | -169.1 | 1.9 | 113.5 | Q31 F32 R34 E45 | Q31-R47 HydrophobicContact CG-CB 4.19Å; Q31-R47 HydrophobicContact CG-CG 4.44Å; F32-R47 PolarHBondContact O-N 3.4Å; R34-R47 HydrophobicContact CB-CG 3.92Å; E45-R47 IonicContact OE2-CZ 3.66Å; E45-R47 IonicContact OE2-NH2 3.67Å; E45-R47 PolarHBondContact OE2-NH2 2.94Å | ||
| 48 | A | 97.1 | Very high | 96.8 | Very high | 5 Ų | 5 | 72 Ų | 72 | 4% | 0.041 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -136 | 144.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | F32 W50 I51 | F32-A48 HydrophobicContact CB-CB 4.08Å; A48-W50 VanDerWaalsContact C-N 3.29Å; A48-W50 HydrophobicContact CB-CD2 4.21Å; A48-W50 HydrophobicContact CB-CG 4.38Å; A48-W50 HydrophobicContact CB-CZ2 4.06Å; A48-W50 PolarHBondContact O-N 2.94Å; A48-I51 WeakPolarHBondContact O-CG2 3.03Å; A48-I51 PolarHBondContact O-N 2.03Å |
| 49 | P | 97.2 | Very high | 96.8 | Very high | 103 Ų | 103 | 70.2 Ų | 70.2 | 67% | 0.669 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -59 | -37.3 | -177.3 | -26.5 | 34.9 | 0 | 0 | 0 | 113.9 | I51 E52 | P49-I51 PolarHBondContact O-N 2.83Å; P49-E52 WeakPolarHBondContact O-CB 3.36Å; P49-E52 PolarHBondContact O-N 2.94Å; P49-E52 VanDerWaalsContact O-N 3.14Å |
| 50 | W | 97.2 | Very high | 96.9 | Very high | 16 Ų | 16 | 72.2 Ų | 72.2 | 6% | 0.061 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | -70.3 | -14.5 | -175.3 | 54.2 | -105.9 | 0 | 0 | 0 | 114.4 | V27 F32 A48 Q53 Y170 L178 | V27-W50 HydrophobicContact CG2-CH2 3.92Å; V27-W50 HydrophobicContact CG2-CZ2 4.38Å; F32-W50 HydrophobicContact CB-CH2 3.16Å; F32-W50 HydrophobicContact CB-CZ2 3.31Å; F32-W50 HydrophobicContact CB-CZ3 4.01Å; F32-W50 HydrophobicContact CD1-CH2 4.01Å; F32-W50 AromaticContact CD2-CH2 3.74Å; F32-W50 HydrophobicContact CD2-CH2 3.74Å; F32-W50 HydrophobicContact CD2-CZ3 4.06Å; F32-W50 AromaticContact CG-CH2 3.39Å; F32-W50 HydrophobicContact CG-CH2 3.39Å; F32-W50 HydrophobicContact CG-CZ2 4.03Å; F32-W50 HydrophobicContact CG-CZ3 4.17Å; A48-W50 VanDerWaalsContact C-N 3.29Å; A48-W50 HydrophobicContact CB-CD2 4.21Å; A48-W50 HydrophobicContact CB-CG 4.38Å; A48-W50 HydrophobicContact CB-CZ2 4.06Å; A48-W50 PolarHBondContact O-N 2.94Å; W50-Q53 WeakPolarHBondContact O-CG 3.5Å; W50-Q53 PolarHBondContact O-NE2 3.01Å; W50-Y170 HydrophobicContact CE3-CD1 4.3Å; W50-Y170 HydrophobicContact CE3-CG 4.45Å; W50-Y170 HydrophobicContact CH2-CD2 4.31Å; W50-Y170 HydrophobicContact CH2-CG 4.03Å; W50-Y170 AromaticContact CZ3-CD1 3.62Å; W50-Y170 HydrophobicContact CZ3-CD1 3.62Å; W50-Y170 HydrophobicContact CZ3-CD2 4.15Å; W50-Y170 HydrophobicContact CZ3-CE1 4.33Å; W50-Y170 AromaticContact CZ3-CG 3.53Å; W50-Y170 HydrophobicContact CZ3-CG 3.53Å; W50-L178 HydrophobicContact CD2-CD1 4.39Å; W50-L178 HydrophobicContact CH2-CD1 4.36Å; W50-L178 HydrophobicContact CZ2-CD1 3.81Å; W50-L178 HydrophobicContact CZ2-CD2 4.1Å; W50-L178 HydrophobicContact CZ2-CG 4.37Å |
| 51 | I | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | -89 | -19 | 174 | -162.6 | 72.5 | 0 | 0 | 0 | 111.8 | F32 V33 P46 A48 P49 Q53 E54 Y58 W59 Y170 | F32-I51 HydrophobicContact CD2-CB 4.42Å; F32-I51 HydrophobicContact CD2-CD1 3.97Å; F32-I51 HydrophobicContact CD2-CG1 4.03Å; F32-I51 HydrophobicContact CE2-CD1 4.29Å; F32-I51 VanDerWaalsContact O-CG2 3.28Å; F32-I51 WeakPolarHBondContact O-CG2 2.93Å; V33-I51 HydrophobicContact CG1-CG1 4.34Å; P46-I51 HydrophobicContact CB-CG2 3.69Å; A48-I51 WeakPolarHBondContact O-CG2 3.03Å; A48-I51 PolarHBondContact O-N 2.03Å; P49-I51 PolarHBondContact O-N 2.83Å; I51-Q53 PolarHBondContact O-N 2.84Å; I51-Q53 VanDerWaalsContact O-N 3.15Å; I51-E54 HydrophobicContact CD1-CG 3.65Å; I51-E54 HydrophobicContact CG1-CG 4.16Å; I51-E54 WeakPolarHBondContact O-CB 3.4Å; I51-E54 WeakPolarHBondContact O-CG 3.45Å; I51-E54 PolarHBondContact O-N 3.28Å; I51-Y58 HydrophobicContact CD1-CE1 4.13Å; I51-Y58 HydrophobicContact CG1-CE1 4.12Å; I51-W59 HydrophobicContact CB-CH2 4.45Å; I51-W59 HydrophobicContact CG1-CH2 3.77Å; I51-W59 HydrophobicContact CG1-CZ2 4Å; I51-W59 HydrophobicContact CG2-CH2 3.94Å; I51-W59 HydrophobicContact CG2-CZ2 4.3Å; I51-W59 WeakPolarHBondContact O-CZ2 3.39Å; I51-Y170 HydrophobicContact CD1-CD1 3.91Å; I51-Y170 HydrophobicContact CD1-CE1 3.31Å |
| 52 | E | 96.9 | Very high | 97.5 | Very high | 127 Ų | 127 | 69 Ų | 69 | 59% | 0.593 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -23 | -176.8 | -64.9 | -178.5 | -173.2 | 0 | 0 | 113.3 | P46 P49 E54 | P46-E52 HydrophobicContact CB-CG 3.81Å; P46-E52 HydrophobicContact CG-CG 4.11Å; P49-E52 WeakPolarHBondContact O-CB 3.36Å; P49-E52 PolarHBondContact O-N 2.94Å; P49-E52 VanDerWaalsContact O-N 3.14Å; E52-E54 PolarHBondContact O-N 2.9Å |
| 53 | Q | 96 | Very high | 97.6 | Very high | 116 Ų | 116 | 65.5 Ų | 65.5 | 54% | 0.542 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -12.7 | 175.5 | 69.7 | -172.9 | -33.3 | 0 | 0 | 114 | W50 I51 N173 | W50-Q53 WeakPolarHBondContact O-CG 3.5Å; W50-Q53 PolarHBondContact O-NE2 3.01Å; I51-Q53 PolarHBondContact O-N 2.84Å; I51-Q53 VanDerWaalsContact O-N 3.15Å; Q53-N173 PolarHBondContact NE2-ND2 3.34Å |
| 54 | E | 97.6 | Very high | 97.7 | Very high | 14 Ų | 14 | 65.3 Ų | 65.3 | 7% | 0.065 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -66 | 139 | 176.4 | -64.3 | -59.6 | 161.1 | 0 | 0 | 110.9 | I51 E52 Y58 W59 R169 N173 | I51-E54 HydrophobicContact CD1-CG 3.65Å; I51-E54 HydrophobicContact CG1-CG 4.16Å; I51-E54 WeakPolarHBondContact O-CB 3.4Å; I51-E54 WeakPolarHBondContact O-CG 3.45Å; I51-E54 PolarHBondContact O-N 3.28Å; E52-E54 PolarHBondContact O-N 2.9Å; E54-Y58 HydrophobicContact CB-CD1 3.56Å; E54-Y58 HydrophobicContact CB-CE1 4.21Å; E54-Y58 HydrophobicContact CB-CG 3.77Å; E54-Y58 HydrophobicContact CG-CD1 4.06Å; E54-Y58 HydrophobicContact CG-CE1 4.29Å; E54-Y58 HydrophobicContact CG-CG 4.18Å; E54-W59 PolarHBondContact O-NE1 2.9Å; E54-R169 IonicContact OE1-CZ 3.96Å; E54-R169 IonicContact OE1-NE 3.81Å; E54-R169 PolarHBondContact OE1-NE 2.83Å; E54-R169 IonicContact OE1-NH2 3.72Å; E54-R169 PolarHBondContact OE1-NH2 2.87Å; E54-R169 VanDerWaalsContact OE1-NH2 3.16Å; E54-R169 IonicContact OE2-CZ 3.28Å; E54-R169 IonicContact OE2-NE 2.71Å; E54-R169 PolarHBondContact OE2-NE 3.5Å; E54-R169 IonicContact OE2-NH2 2.94Å; E54-R169 PolarHBondContact OE2-NH2 3.44Å; E54-N173 PolarHBondContact OE1-ND2 3.34Å |
| 55 | G | 96.8 | Very high | 97.6 | Very high | 44 Ų | 44 | 67.7 Ų | 67.7 | 45% | 0.454 | 34% | 0.337 | S | S | . | . | trans | -71 | 168.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | E57 Y58 W59 | G55-E57 PolarHBondContact O-N 2.94Å; G55-E57 VanDerWaalsContact O-N 3.15Å; G55-Y58 WeakPolarHBondContact O-CB 3.22Å; G55-Y58 PolarHBondContact O-N 3.36Å; G55-W59 VanDerWaalsContact O-CD1 3.29Å; G55-W59 PolarHBondContact O-N 2.81Å | ||
| 56 | L | 96.6 | Very high | 97.6 | Very high | 141 Ų | 141 | 64.7 Ų | 64.7 | 74% | 0.738 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -54.7 | -35.5 | 179 | -69.5 | 173 | 0 | 0 | 0 | 113.2 | Y58 W59 D60 | L56-Y58 VanDerWaalsContact C-N 3.31Å; L56-Y58 PolarHBondContact O-N 3.49Å; L56-W59 PolarHBondContact O-N 3.32Å; L56-D60 WeakPolarHBondContact O-CB 3.19Å; L56-D60 PolarHBondContact O-N 2.97Å |
| 57 | E | 97.5 | Very high | 97.6 | Very high | 170 Ų | 170 | 66.2 Ų | 66.2 | 79% | 0.794 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -61 | -38.1 | 178.4 | -65.8 | -177 | 174.3 | 0 | 0 | 112.7 | G55 Q61 | G55-E57 PolarHBondContact O-N 2.94Å; G55-E57 VanDerWaalsContact O-N 3.15Å; E57-Q61 VanDerWaalsContact O-CB 3.23Å; E57-Q61 WeakPolarHBondContact O-CB 3.45Å; E57-Q61 PolarHBondContact O-N 2.8Å |
| 58 | Y | 97.9 | Very high | 97.6 | Very high | 18 Ų | 18 | 63.2 Ų | 63.2 | 7% | 0.071 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.8 | -52.9 | 175.1 | 171 | -93.8 | 0 | 0 | 0 | 110.3 | I51 E54 G55 L56 D60 Q61 E62 W166 Y170 | I51-Y58 HydrophobicContact CD1-CE1 4.13Å; I51-Y58 HydrophobicContact CG1-CE1 4.12Å; E54-Y58 HydrophobicContact CB-CD1 3.56Å; E54-Y58 HydrophobicContact CB-CE1 4.21Å; E54-Y58 HydrophobicContact CB-CG 3.77Å; E54-Y58 HydrophobicContact CG-CD1 4.06Å; E54-Y58 HydrophobicContact CG-CE1 4.29Å; E54-Y58 HydrophobicContact CG-CG 4.18Å; G55-Y58 WeakPolarHBondContact O-CB 3.22Å; G55-Y58 PolarHBondContact O-N 3.36Å; L56-Y58 VanDerWaalsContact C-N 3.31Å; L56-Y58 PolarHBondContact O-N 3.49Å; Y58-D60 VanDerWaalsContact C-N 3.34Å; Y58-D60 PolarHBondContact O-N 3.3Å; Y58-Q61 PolarHBondContact O-N 3.27Å; Y58-E62 HydrophobicContact CD1-CG 4.39Å; Y58-E62 HydrophobicContact CD2-CG 4.16Å; Y58-E62 HydrophobicContact CE1-CG 4.03Å; Y58-E62 HydrophobicContact CE2-CG 3.78Å; Y58-E62 HydrophobicContact CG-CG 4.44Å; Y58-E62 WeakPolarHBondContact O-CB 3.35Å; Y58-E62 WeakPolarHBondContact O-CG 3.18Å; Y58-E62 PolarHBondContact O-N 2.71Å; Y58-W166 AromaticContact CD2-CH2 3.53Å; Y58-W166 HydrophobicContact CD2-CH2 3.53Å; Y58-W166 HydrophobicContact CD2-CZ2 4.05Å; Y58-W166 AromaticContact CD2-CZ3 3.96Å; Y58-W166 HydrophobicContact CD2-CZ3 3.96Å; Y58-W166 HydrophobicContact CE2-CE3 4.42Å; Y58-W166 AromaticContact CE2-CH2 3.93Å; Y58-W166 HydrophobicContact CE2-CH2 3.93Å; Y58-W166 HydrophobicContact CE2-CZ2 4.36Å; Y58-W166 AromaticContact CE2-CZ3 3.96Å; Y58-W166 HydrophobicContact CE2-CZ3 3.96Å; Y58-Y170 VanDerWaalsContact CE2-OH 3.24Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.41Å; Y58-Y170 PolarHBondContact OH-OH 3.28Å |
| 59 | W | 98.4 | Very high | 97.7 | Very high | 33 Ų | 33 | 65 Ų | 65 | 13% | 0.125 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.1 | -39.3 | -178 | -64.9 | 111.7 | 0 | 0 | 0 | 113 | V33 M44 P46 I51 E54 G55 L56 T63 | V33-W59 HydrophobicContact CG1-CH2 4.01Å; V33-W59 HydrophobicContact CG1-CZ3 3.84Å; M44-W59 HydrophobicContact CB-CE3 4.23Å; M44-W59 HydrophobicContact CB-CZ3 4.49Å; M44-W59 HydrophobicContact CG-CE3 4.13Å; M44-W59 HydrophobicContact CG-CZ3 3.94Å; P46-W59 HydrophobicContact CB-CH2 3.62Å; P46-W59 HydrophobicContact CB-CZ2 3.95Å; P46-W59 HydrophobicContact CG-CH2 4.26Å; P46-W59 HydrophobicContact CG-CZ2 4.4Å; I51-W59 HydrophobicContact CB-CH2 4.45Å; I51-W59 HydrophobicContact CG1-CH2 3.77Å; I51-W59 HydrophobicContact CG1-CZ2 4Å; I51-W59 HydrophobicContact CG2-CH2 3.94Å; I51-W59 HydrophobicContact CG2-CZ2 4.3Å; I51-W59 WeakPolarHBondContact O-CZ2 3.39Å; E54-W59 PolarHBondContact O-NE1 2.9Å; G55-W59 VanDerWaalsContact O-CD1 3.29Å; G55-W59 PolarHBondContact O-N 2.81Å; L56-W59 PolarHBondContact O-N 3.32Å; W59-T63 WeakPolarHBondContact O-CB 3.49Å; W59-T63 PolarHBondContact O-N 2.66Å; W59-T63 PolarHBondContact O-OG1 3.16Å |
| 60 | D | 98.2 | Very high | 97.7 | Very high | 73 Ų | 73 | 60.9 Ų | 60.9 | 39% | 0.39 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -67.4 | -41.5 | 176.4 | -79.6 | -14.6 | 0 | 0 | 0 | 111.6 | L56 Y58 R64 | L56-D60 WeakPolarHBondContact O-CB 3.19Å; L56-D60 PolarHBondContact O-N 2.97Å; Y58-D60 VanDerWaalsContact C-N 3.34Å; Y58-D60 PolarHBondContact O-N 3.3Å; D60-R64 WeakPolarHBondContact O-CB 3.28Å; D60-R64 VanDerWaalsContact O-CG 3.31Å; D60-R64 WeakPolarHBondContact O-CG 3.36Å; D60-R64 PolarHBondContact O-N 2.83Å |
| 61 | Q | 97.9 | Very high | 97.8 | Very high | 83 Ų | 83 | 65.1 Ų | 65.1 | 39% | 0.388 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -67 | -47.1 | 177.8 | -174.1 | 60 | 46.8 | 0 | 0 | 111.4 | E57 Y58 T63 R64 N65 | E57-Q61 VanDerWaalsContact O-CB 3.23Å; E57-Q61 WeakPolarHBondContact O-CB 3.45Å; E57-Q61 PolarHBondContact O-N 2.8Å; Y58-Q61 PolarHBondContact O-N 3.27Å; Q61-T63 VanDerWaalsContact C-N 3.34Å; Q61-T63 PolarHBondContact O-N 2.89Å; Q61-R64 PolarHBondContact O-N 2.81Å; Q61-N65 PolarHBondContact NE2-OD1 2.64Å; Q61-N65 PolarHBondContact O-N 3.05Å; Q61-N65 PolarHBondContact O-ND2 3.19Å; Q61-N65 PolarHBondContact O-OD1 2.81Å |
| 62 | E | 98.1 | Very high | 97.8 | Very high | 30 Ų | 30 | 68.2 Ų | 68.2 | 14% | 0.14 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.6 | -40.7 | 178.6 | -70.3 | -55.5 | 101.1 | 0 | 0 | 111.5 | M44 Y58 R64 N65 V66 | M44-E62 HydrophobicContact CB-CB 4.13Å; M44-E62 HydrophobicContact CE-CB 4.48Å; M44-E62 HydrophobicContact CG-CB 4.1Å; Y58-E62 HydrophobicContact CD1-CG 4.39Å; Y58-E62 HydrophobicContact CD2-CG 4.16Å; Y58-E62 HydrophobicContact CE1-CG 4.03Å; Y58-E62 HydrophobicContact CE2-CG 3.78Å; Y58-E62 HydrophobicContact CG-CG 4.44Å; Y58-E62 WeakPolarHBondContact O-CB 3.35Å; Y58-E62 WeakPolarHBondContact O-CG 3.18Å; Y58-E62 PolarHBondContact O-N 2.71Å; E62-R64 PolarHBondContact O-N 2.69Å; E62-N65 PolarHBondContact O-N 2.99Å; E62-N65 PolarHBondContact OE1-ND2 2.97Å; E62-N65 VanDerWaalsContact OE1-ND2 3.14Å; E62-V66 WeakPolarHBondContact O-CG2 3.49Å; E62-V66 PolarHBondContact O-N 3.39Å |
| 63 | T | 98.6 | Very high | 97.8 | Very high | 14 Ų | 14 | 62.2 Ų | 62.2 | 9% | 0.086 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.4 | -42.6 | 173.7 | -62.9 | 0 | 0 | 0 | 0 | 111.8 | R43 M44 W59 Q61 V66 K67 | R43-T63 HydrophobicContact CB-CG2 4.46Å; R43-T63 HydrophobicContact CG-CG2 4.34Å; M44-T63 PolarHBondContact N-OG1 3.24Å; W59-T63 WeakPolarHBondContact O-CB 3.49Å; W59-T63 PolarHBondContact O-N 2.66Å; W59-T63 PolarHBondContact O-OG1 3.16Å; Q61-T63 VanDerWaalsContact C-N 3.34Å; Q61-T63 PolarHBondContact O-N 2.89Å; T63-V66 WeakPolarHBondContact O-CG2 3.18Å; T63-K67 HydrophobicContact CG2-CD 4.22Å; T63-K67 WeakPolarHBondContact O-CB 3.42Å; T63-K67 WeakPolarHBondContact O-CG 3.46Å; T63-K67 PolarHBondContact O-N 3.22Å; T63-K67 VanDerWaalsContact O-N 3.12Å |
| 64 | R | 98.3 | Very high | 97.9 | Very high | 145 Ų | 145 | 61.7 Ų | 61.7 | 55% | 0.547 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.7 | -43.5 | 176 | -79.1 | -176.9 | -113.8 | 137.5 | -6.6 | 111.4 | D60 Q61 E62 K67 A68 | D60-R64 WeakPolarHBondContact O-CB 3.28Å; D60-R64 VanDerWaalsContact O-CG 3.31Å; D60-R64 WeakPolarHBondContact O-CG 3.36Å; D60-R64 PolarHBondContact O-N 2.83Å; Q61-R64 PolarHBondContact O-N 2.81Å; E62-R64 PolarHBondContact O-N 2.69Å; R64-K67 PolarHBondContact O-N 3.28Å; R64-A68 WeakPolarHBondContact O-CB 3.13Å; R64-A68 PolarHBondContact O-N 3.18Å |
| 65 | N | 97.7 | Very high | 97.9 | Very high | 59 Ų | 59 | 65.5 Ų | 65.5 | 32% | 0.316 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -59.5 | -51.7 | 179.7 | -68 | -17.7 | 0 | 0 | 0 | 111.4 | Q61 E62 K67 A68 Q69 | Q61-N65 PolarHBondContact NE2-OD1 2.64Å; Q61-N65 PolarHBondContact O-N 3.05Å; Q61-N65 PolarHBondContact O-ND2 3.19Å; Q61-N65 PolarHBondContact O-OD1 2.81Å; E62-N65 PolarHBondContact O-N 2.99Å; E62-N65 PolarHBondContact OE1-ND2 2.97Å; E62-N65 VanDerWaalsContact OE1-ND2 3.14Å; N65-K67 VanDerWaalsContact C-N 3.34Å; N65-K67 PolarHBondContact O-N 2.99Å; N65-A68 PolarHBondContact O-N 2.74Å; N65-Q69 PolarHBondContact O-N 3.29Å |
| 66 | V | 98.1 | Very high | 98 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -69.6 | -29.8 | -179.1 | -64.4 | 0 | 0 | 0 | 0 | 113.5 | F21 A23 F35 M44 E62 T63 Q69 S70 | F21-V66 HydrophobicContact CE1-CB 4.02Å; A23-V66 HydrophobicContact CB-CG1 4.17Å; F35-V66 HydrophobicContact CB-CB 4.46Å; F35-V66 HydrophobicContact CB-CG2 3.93Å; F35-V66 HydrophobicContact CD1-CB 4.34Å; F35-V66 HydrophobicContact CD1-CG2 3.98Å; F35-V66 HydrophobicContact CD2-CB 4.45Å; F35-V66 HydrophobicContact CD2-CG2 3.32Å; F35-V66 HydrophobicContact CE1-CG2 4.33Å; F35-V66 HydrophobicContact CE2-CG2 3.72Å; F35-V66 HydrophobicContact CG-CB 4.18Å; F35-V66 HydrophobicContact CG-CG2 3.47Å; F35-V66 VanDerWaalsContact CG-CG2 3.47Å; F35-V66 HydrophobicContact CZ-CG2 4.21Å; M44-V66 HydrophobicContact CE-CB 4.37Å; M44-V66 HydrophobicContact CE-CG1 3.35Å; M44-V66 HydrophobicContact CE-CG2 4.18Å; E62-V66 WeakPolarHBondContact O-CG2 3.49Å; E62-V66 PolarHBondContact O-N 3.39Å; T63-V66 WeakPolarHBondContact O-CG2 3.18Å; V66-Q69 PolarHBondContact O-N 2.88Å; V66-S70 WeakPolarHBondContact O-CB 3.26Å; V66-S70 PolarHBondContact O-N 3.27Å |
| 67 | K | 98.3 | Very high | 98 | Very high | 80 Ų | 80 | 60 Ų | 60 | 35% | 0.348 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66.9 | -41.4 | 171.1 | -77.7 | -176.3 | 177 | -178.7 | 0 | 112.1 | F35 Q42 T63 R64 N65 S70 Q71 | F35-K67 HydrophobicContact CE2-CG 4.14Å; F35-K67 HydrophobicContact CZ-CG 3.97Å; Q42-K67 WeakPolarHBondContact O-CE 3.43Å; Q42-K67 PolarHBondContact O-NZ 3.34Å; T63-K67 HydrophobicContact CG2-CD 4.22Å; T63-K67 WeakPolarHBondContact O-CB 3.42Å; T63-K67 WeakPolarHBondContact O-CG 3.46Å; T63-K67 PolarHBondContact O-N 3.22Å; T63-K67 VanDerWaalsContact O-N 3.12Å; R64-K67 PolarHBondContact O-N 3.28Å; N65-K67 VanDerWaalsContact C-N 3.34Å; N65-K67 PolarHBondContact O-N 2.99Å; K67-S70 PolarHBondContact O-N 3.3Å; K67-Q71 PolarHBondContact O-N 3.35Å |
| 68 | A | 98.3 | Very high | 98 | Very high | 57 Ų | 57 | 53.6 Ų | 53.6 | 47% | 0.471 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.3 | -41.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | R64 N65 Q71 T72 | R64-A68 WeakPolarHBondContact O-CB 3.13Å; R64-A68 PolarHBondContact O-N 3.18Å; N65-A68 PolarHBondContact O-N 2.74Å; A68-Q71 PolarHBondContact O-N 2.89Å; A68-T72 PolarHBondContact O-N 3.21Å; A68-T72 PolarHBondContact O-OG1 3.36Å |
| 69 | Q | 98.2 | Very high | 98 | Very high | 41 Ų | 41 | 55 Ų | 55 | 19% | 0.192 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.4 | -44.7 | 174.4 | -171.1 | 66.5 | 54 | 0 | 0 | 111.6 | Y8 F21 N65 V66 Q71 T72 D73 | Y8-Q69 HydrophobicContact CD2-CG 3.72Å; Y8-Q69 HydrophobicContact CE2-CB 4.38Å; Y8-Q69 HydrophobicContact CE2-CG 3.68Å; F21-Q69 HydrophobicContact CE2-CB 4.23Å; F21-Q69 HydrophobicContact CE2-CG 3.78Å; F21-Q69 HydrophobicContact CZ-CB 4.14Å; F21-Q69 HydrophobicContact CZ-CG 3.99Å; N65-Q69 PolarHBondContact O-N 3.29Å; V66-Q69 PolarHBondContact O-N 2.88Å; Q69-Q71 VanDerWaalsContact C-N 3.26Å; Q69-Q71 PolarHBondContact O-N 2.99Å; Q69-T72 CarbonylContact O-C 3.58Å; Q69-T72 WeakPolarHBondContact O-CA 3.47Å; Q69-T72 WeakPolarHBondContact O-CB 3.45Å; Q69-T72 PolarHBondContact O-N 3.31Å; Q69-D73 PolarHBondContact NE2-OD1 3.42Å; Q69-D73 PolarHBondContact O-N 3.02Å |
| 70 | S | 97.9 | Very high | 98 | Very high | 17 Ų | 17 | 53.9 Ų | 53.9 | 12% | 0.119 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -55.6 | -38.5 | 176.3 | 167.1 | 0 | 0 | 0 | 0 | 113 | V66 K67 R74 | V66-S70 WeakPolarHBondContact O-CB 3.26Å; V66-S70 PolarHBondContact O-N 3.27Å; K67-S70 PolarHBondContact O-N 3.3Å; S70-R74 WeakPolarHBondContact O-CB 3.38Å; S70-R74 PolarHBondContact O-N 3.21Å |
| 71 | Q | 98 | Very high | 97.9 | Very high | 106 Ų | 106 | 53.8 Ų | 53.8 | 50% | 0.495 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -72.2 | -34.7 | 174.6 | -63.2 | -51.1 | -58 | 0 | 0 | 112.5 | K67 A68 Q69 R74 V75 | K67-Q71 PolarHBondContact O-N 3.35Å; A68-Q71 PolarHBondContact O-N 2.89Å; Q69-Q71 VanDerWaalsContact C-N 3.26Å; Q69-Q71 PolarHBondContact O-N 2.99Å; Q71-R74 PolarHBondContact O-N 3.29Å; Q71-V75 WeakPolarHBondContact O-CG2 3.36Å; Q71-V75 PolarHBondContact O-N 3.27Å |
| 72 | T | 98.2 | Very high | 97.9 | Very high | 65 Ų | 65 | 51.9 Ų | 51.9 | 40% | 0.399 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.7 | -51.4 | 175.3 | -55.6 | 0 | 0 | 0 | 0 | 110.3 | A68 Q69 R74 V75 D76 | A68-T72 PolarHBondContact O-N 3.21Å; A68-T72 PolarHBondContact O-OG1 3.36Å; Q69-T72 CarbonylContact O-C 3.58Å; Q69-T72 WeakPolarHBondContact O-CA 3.47Å; Q69-T72 WeakPolarHBondContact O-CB 3.45Å; Q69-T72 PolarHBondContact O-N 3.31Å; T72-R74 VanDerWaalsContact C-N 3.25Å; T72-R74 PolarHBondContact O-N 3.05Å; T72-V75 WeakPolarHBondContact O-CB 3.44Å; T72-V75 PolarHBondContact O-N 2.82Å; T72-D76 PolarHBondContact O-N 2.89Å |
| 73 | D | 97.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.2 | -34.8 | 179 | -75 | 21.7 | 0 | 0 | 0 | 112.4 | S10 F21 Q69 D76 L77 | S10-D73 WeakPolarHBondContact CB-OD2 3.19Å; S10-D73 WeakPolarHBondContact OG-CB 3.07Å; S10-D73 PolarHBondContact OG-OD2 2.86Å; F21-D73 HydrophobicContact CD2-CB 4.49Å; F21-D73 WeakPolarHBondContact CE2-OD2 3.35Å; Q69-D73 PolarHBondContact NE2-OD1 3.42Å; Q69-D73 PolarHBondContact O-N 3.02Å; D73-D76 PolarHBondContact O-N 2.85Å; D73-L77 WeakPolarHBondContact O-CB 3.31Å; D73-L77 VanDerWaalsContact O-CG 3.32Å; D73-L77 WeakPolarHBondContact O-CG 3.47Å; D73-L77 PolarHBondContact O-N 3.12Å |
| 74 | R | 97.5 | Very high | 97.8 | Very high | 106 Ų | 106 | 55.5 Ų | 55.5 | 40% | 0.4 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.2 | -45 | 173.6 | 174.5 | -171.4 | 166.9 | 163.8 | 14.3 | 111.6 | E18 P19 S70 Q71 T72 | E18-R74 IonicContact OE1-CZ 3.66Å; E18-R74 IonicContact OE1-NE 3.65Å; E18-R74 IonicContact OE1-NH1 3.87Å; E18-R74 PolarHBondContact OE1-NH1 2.84Å; E18-R74 IonicContact OE1-NH2 3.71Å; E18-R74 PolarHBondContact OE1-NH2 2.87Å; E18-R74 WeakPolarHBondContact OE2-CD 3.34Å; E18-R74 IonicContact OE2-CZ 2.81Å; E18-R74 IonicContact OE2-NE 3.29Å; E18-R74 PolarHBondContact OE2-NE 3.18Å; E18-R74 IonicContact OE2-NH1 3.32Å; E18-R74 PolarHBondContact OE2-NH1 3.49Å; E18-R74 IonicContact OE2-NH2 3.54Å; E18-R74 PolarHBondContact OE2-NH2 3.31Å; E18-R74 VanDerWaalsContact OE2-NH2 3.07Å; P19-R74 HydrophobicContact CG-CB 4.45Å; P19-R74 HydrophobicContact CG-CG 4.25Å; S70-R74 WeakPolarHBondContact O-CB 3.38Å; S70-R74 PolarHBondContact O-N 3.21Å; Q71-R74 PolarHBondContact O-N 3.29Å; T72-R74 VanDerWaalsContact C-N 3.25Å; T72-R74 PolarHBondContact O-N 3.05Å |
| 75 | V | 97.9 | Very high | 97.8 | Very high | 94 Ų | 94 | 55.9 Ų | 55.9 | 57% | 0.57 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -69.3 | -39.3 | 177.4 | 175.4 | 0 | 0 | 0 | 0 | 110.5 | Q71 T72 G78 T79 | Q71-V75 WeakPolarHBondContact O-CG2 3.36Å; Q71-V75 PolarHBondContact O-N 3.27Å; T72-V75 WeakPolarHBondContact O-CB 3.44Å; T72-V75 PolarHBondContact O-N 2.82Å; V75-G78 PolarHBondContact O-N 3.03Å; V75-T79 PolarHBondContact O-N 2.84Å; V75-T79 PolarHBondContact O-OG1 2.76Å |
| 76 | D | 98.1 | Very high | 97.7 | Very high | 59 Ų | 59 | 55.9 Ų | 55.9 | 32% | 0.316 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65.8 | -38.2 | 179.3 | -71 | -20.5 | 0 | 0 | 0 | 111.8 | T72 D73 G78 T79 L80 I94 | T72-D76 PolarHBondContact O-N 2.89Å; D73-D76 PolarHBondContact O-N 2.85Å; D76-G78 VanDerWaalsContact C-N 3.3Å; D76-G78 PolarHBondContact O-N 3.45Å; D76-T79 WeakPolarHBondContact O-CB 3.38Å; D76-T79 PolarHBondContact O-N 2.89Å; D76-T79 VanDerWaalsContact O-N 3.08Å; D76-L80 WeakPolarHBondContact O-CB 3.31Å; D76-L80 VanDerWaalsContact O-CG 3.3Å; D76-L80 WeakPolarHBondContact O-CG 3.48Å; D76-L80 PolarHBondContact O-N 3.11Å; D76-I94 HydrophobicContact CB-CD1 3.71Å |
| 77 | L | 98.1 | Very high | 97.6 | Very high | 9 Ų | 9 | 59.5 Ų | 59.5 | 5% | 0.047 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -57.2 | -42.9 | 172.9 | -81 | 163.9 | 0 | 0 | 0 | 111.7 | P19 D73 R81 H92 I94 Y117 | P19-L77 HydrophobicContact CB-CD1 3.55Å; P19-L77 HydrophobicContact CG-CD1 3.65Å; D73-L77 WeakPolarHBondContact O-CB 3.31Å; D73-L77 VanDerWaalsContact O-CG 3.32Å; D73-L77 WeakPolarHBondContact O-CG 3.47Å; D73-L77 PolarHBondContact O-N 3.12Å; L77-R81 VanDerWaalsContact O-CB 3.32Å; L77-R81 WeakPolarHBondContact O-CB 3.29Å; L77-R81 PolarHBondContact O-N 3.3Å; L77-R81 VanDerWaalsContact O-N 3.12Å; L77-H92 HydrophobicContact CD2-CB 4.07Å; L77-I94 HydrophobicContact CB-CD1 4.44Å; L77-I94 HydrophobicContact CD2-CD1 4Å; L77-I94 HydrophobicContact CD2-CG1 3.79Å; L77-I94 HydrophobicContact CG-CD1 3.72Å; L77-I94 HydrophobicContact CG-CG1 4.06Å; L77-Y117 HydrophobicContact CD2-CE2 4.33Å |
| 78 | G | 96.3 | Very high | 97.2 | Very high | 36 Ų | 36 | 61.7 Ų | 61.7 | 37% | 0.371 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -66.7 | -38.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | V75 D76 G82 | V75-G78 PolarHBondContact O-N 3.03Å; D76-G78 VanDerWaalsContact C-N 3.3Å; D76-G78 PolarHBondContact O-N 3.45Å; G78-G82 PolarHBondContact O-N 3.19Å |
| 79 | T | 97.7 | Very high | 96.9 | Very high | 47 Ų | 47 | 66 Ų | 66 | 29% | 0.288 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -67.6 | -48 | 178.8 | -60.2 | 0 | 0 | 0 | 0 | 111.8 | V75 D76 G82 Y83 | V75-T79 PolarHBondContact O-N 2.84Å; V75-T79 PolarHBondContact O-OG1 2.76Å; D76-T79 WeakPolarHBondContact O-CB 3.38Å; D76-T79 PolarHBondContact O-N 2.89Å; D76-T79 VanDerWaalsContact O-N 3.08Å; T79-G82 WeakPolarHBondContact O-CA 3.4Å; T79-G82 PolarHBondContact O-N 3.09Å; T79-G82 VanDerWaalsContact O-N 3.11Å; T79-Y83 HydrophobicContact CG2-CD1 4.37Å; T79-Y83 HydrophobicContact CG2-CD2 4.48Å; T79-Y83 HydrophobicContact CG2-CE1 3.76Å; T79-Y83 HydrophobicContact CG2-CE2 3.88Å; T79-Y83 VanDerWaalsContact CG2-CZ 3.47Å; T79-Y83 PolarHBondContact O-N 2.85Å |
| 80 | L | 98.1 | Very high | 96.7 | Very high | 11 Ų | 11 | 65 Ų | 65 | 6% | 0.058 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.7 | -43.3 | 179.8 | -69.8 | 172.5 | 0 | 0 | 0 | 111.2 | D76 G82 Y83 Y84 I94 Y117 Y122 | D76-L80 WeakPolarHBondContact O-CB 3.31Å; D76-L80 VanDerWaalsContact O-CG 3.3Å; D76-L80 WeakPolarHBondContact O-CG 3.48Å; D76-L80 PolarHBondContact O-N 3.11Å; L80-G82 PolarHBondContact O-N 2.93Å; L80-Y83 HydrophobicContact CD2-CD2 4.23Å; L80-Y83 PolarHBondContact O-N 2.8Å; L80-Y84 HydrophobicContact CD2-CE2 4.44Å; L80-Y84 VanDerWaalsContact O-CD2 3.27Å; L80-Y84 WeakPolarHBondContact O-CD2 3.43Å; L80-Y84 PolarHBondContact O-N 3.42Å; L80-I94 HydrophobicContact CD1-CD1 3.55Å; L80-I94 HydrophobicContact CD1-CG1 3.65Å; L80-Y117 HydrophobicContact CB-CD2 4.11Å; L80-Y117 HydrophobicContact CB-CE1 4.21Å; L80-Y117 HydrophobicContact CB-CE2 3.72Å; L80-Y117 HydrophobicContact CB-CG 4.49Å; L80-Y117 HydrophobicContact CD1-CD2 3.45Å; L80-Y117 VanDerWaalsContact CD1-CD2 3.45Å; L80-Y117 HydrophobicContact CD1-CE2 3.81Å; L80-Y117 HydrophobicContact CD1-CG 3.99Å; L80-Y117 HydrophobicContact CG-CD2 4.36Å; L80-Y117 HydrophobicContact CG-CE2 4.41Å; L80-Y122 HydrophobicContact CD2-CD2 4.26Å; L80-Y122 HydrophobicContact CD2-CE1 3.84Å; L80-Y122 HydrophobicContact CD2-CE2 3.52Å; L80-Y122 VanDerWaalsContact CD2-OH 3.32Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.34Å |
| 81 | R | 97 | Very high | 96.6 | Very high | 71 Ų | 71 | 67.7 Ų | 67.7 | 27% | 0.268 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -52.4 | -42.4 | 172 | -172.4 | -172.4 | 67.1 | 178.7 | 10.7 | 111.7 | L77 N85 Q86 S87 E88 | L77-R81 VanDerWaalsContact O-CB 3.32Å; L77-R81 WeakPolarHBondContact O-CB 3.29Å; L77-R81 PolarHBondContact O-N 3.3Å; L77-R81 VanDerWaalsContact O-N 3.12Å; R81-N85 PolarHBondContact O-N 3.45Å; R81-N85 VanDerWaalsContact O-N 3.1Å; R81-Q86 HydrophobicContact CG-CB 3.78Å; R81-Q86 WeakPolarHBondContact CG-O 3.45Å; R81-Q86 PolarHBondContact O-N 3.36Å; R81-S87 WeakPolarHBondContact CD-O 3.36Å; R81-E88 IonicContact CZ-OE1 3.77Å; R81-E88 IonicContact NH1-OE1 3.59Å; R81-E88 PolarHBondContact NH1-OE1 3.15Å; R81-E88 IonicContact NH2-OE1 3.03Å; R81-E88 PolarHBondContact NH2-OE1 3.28Å |
| 82 | G | 97.2 | Very high | 96.6 | Very high | 43 Ų | 43 | 63.4 Ų | 63.4 | 44% | 0.443 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.2 | -45 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | G78 T79 L80 Y84 N85 | G78-G82 PolarHBondContact O-N 3.19Å; T79-G82 WeakPolarHBondContact O-CA 3.4Å; T79-G82 PolarHBondContact O-N 3.09Å; T79-G82 VanDerWaalsContact O-N 3.11Å; L80-G82 PolarHBondContact O-N 2.93Å; G82-Y84 VanDerWaalsContact C-N 3.26Å; G82-Y84 PolarHBondContact O-N 2.8Å; G82-N85 PolarHBondContact O-N 3.09Å |
| 83 | Y | 97.9 | Very high | 96.7 | Very high | 53 Ų | 53 | 62 Ų | 62 | 21% | 0.208 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.2 | -35.8 | 178.2 | -67.5 | -8.9 | 0 | 0 | 0 | 113 | T79 L80 A138 I141 K145 | T79-Y83 HydrophobicContact CG2-CD1 4.37Å; T79-Y83 HydrophobicContact CG2-CD2 4.48Å; T79-Y83 HydrophobicContact CG2-CE1 3.76Å; T79-Y83 HydrophobicContact CG2-CE2 3.88Å; T79-Y83 VanDerWaalsContact CG2-CZ 3.47Å; T79-Y83 PolarHBondContact O-N 2.85Å; L80-Y83 HydrophobicContact CD2-CD2 4.23Å; L80-Y83 PolarHBondContact O-N 2.8Å; Y83-A138 HydrophobicContact CD2-CB 4.42Å; Y83-I141 HydrophobicContact CD1-CD1 4.11Å; Y83-I141 HydrophobicContact CD2-CD1 4.46Å; Y83-I141 HydrophobicContact CE1-CD1 4.25Å; Y83-I141 HydrophobicContact CE1-CG2 4.06Å; Y83-I141 HydrophobicContact CE2-CB 4.07Å; Y83-I141 HydrophobicContact CE2-CG2 4.08Å; Y83-I141 HydrophobicContact CG-CD1 4.22Å; Y83-I141 WeakPolarHBondContact OH-CG2 3.28Å; Y83-K145 WeakPolarHBondContact OH-CE 3.39Å; Y83-K145 PolarHBondContact OH-NZ 3.09Å |
| 84 | Y | 97.9 | Very high | 96.7 | Very high | 67 Ų | 67 | 62.3 Ų | 62.3 | 26% | 0.263 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 3.6 | 179.8 | -69.7 | -72.3 | 0 | 0 | 0 | 114 | L80 G82 Q86 Y117 Y122 D136 A138 | L80-Y84 HydrophobicContact CD2-CE2 4.44Å; L80-Y84 VanDerWaalsContact O-CD2 3.27Å; L80-Y84 WeakPolarHBondContact O-CD2 3.43Å; L80-Y84 PolarHBondContact O-N 3.42Å; G82-Y84 VanDerWaalsContact C-N 3.26Å; G82-Y84 PolarHBondContact O-N 2.8Å; Y84-Q86 PolarHBondContact O-N 3.2Å; Y84-Y117 AromaticContact CD2-CD1 3.7Å; Y84-Y117 HydrophobicContact CD2-CD1 3.7Å; Y84-Y117 AromaticContact CD2-CE1 3.5Å; Y84-Y117 HydrophobicContact CD2-CE1 3.5Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.5Å; Y84-Y117 AromaticContact CE2-CD1 3.5Å; Y84-Y117 HydrophobicContact CE2-CD1 3.5Å; Y84-Y117 AromaticContact CE2-CE1 3.83Å; Y84-Y117 HydrophobicContact CE2-CE1 3.83Å; Y84-Y117 HydrophobicContact CE2-CG 4.42Å; Y84-Y117 HydrophobicContact CG-CE1 4.35Å; Y84-Y122 HydrophobicContact CE2-CD2 4.37Å; Y84-Y122 HydrophobicContact CE2-CE2 4.08Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.09Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.37Å; Y84-D136 VanDerWaalsContact CE1-OD2 3.22Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.49Å; Y84-D136 VanDerWaalsContact OH-CG 3.25Å; Y84-D136 PolarHBondContact OH-OD1 2.8Å; Y84-D136 PolarHBondContact OH-OD2 2.87Å; Y84-A138 HydrophobicContact CD1-CB 4.23Å; Y84-A138 HydrophobicContact CD2-CB 4.43Å; Y84-A138 HydrophobicContact CE1-CB 3.67Å; Y84-A138 HydrophobicContact CE2-CB 3.89Å; Y84-A138 VanDerWaalsContact CZ-CB 3.48Å |
| 85 | N | 96.9 | Very high | 96.8 | Very high | 152 Ų | 152 | 61.2 Ų | 61.2 | 81% | 0.813 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 40.8 | -176.7 | -56.8 | -59.3 | 0 | 0 | 0 | 113.3 | R81 G82 | R81-N85 PolarHBondContact O-N 3.45Å; R81-N85 VanDerWaalsContact O-N 3.1Å; G82-N85 PolarHBondContact O-N 3.09Å |
| 86 | Q | 97.1 | Very high | 96.8 | Very high | 60 Ų | 60 | 57 Ų | 57 | 28% | 0.28 | 32% | 0.32 | S | S | . | . | trans | -87.1 | 155.6 | -177.2 | -71.3 | 168.5 | -35.3 | 0 | 0 | 111.9 | R81 Y84 H92 Y117 D118 | R81-Q86 HydrophobicContact CG-CB 3.78Å; R81-Q86 WeakPolarHBondContact CG-O 3.45Å; R81-Q86 PolarHBondContact O-N 3.36Å; Y84-Q86 PolarHBondContact O-N 3.2Å; Q86-H92 PolarHBondContact NE2-CE1 2.84Å; Q86-H92 PolarHBondContact OE1-CE1 2.94Å; Q86-H92 VanDerWaalsContact OE1-CE1 3.28Å; Q86-Y117 PolarHBondContact OE1-OH 2.9Å; Q86-D118 PolarHBondContact NE2-OD2 3.4Å | ||
| 87 | S | 94.6 | Very high | 96.9 | Very high | 76 Ų | 76 | 55.1 Ų | 55.1 | 53% | 0.531 | 31% | 0.31 | S | S | . | . | trans | -73.3 | 158.1 | 180 | 64.9 | 0 | 0 | 0 | 0 | 112.6 | R81 D89 | R81-S87 WeakPolarHBondContact CD-O 3.36Å; S87-D89 VanDerWaalsContact C-N 3.3Å; S87-D89 PolarHBondContact O-N 3.11Å | ||
| 88 | E | 90.9 | Very high | 96.9 | Very high | 126 Ų | 126 | 55.9 Ų | 55.9 | 59% | 0.589 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -21.6 | 179.1 | -54.8 | -154.1 | 127.1 | 0 | 0 | 113.8 | P14 R81 G90 | P14-E88 WeakPolarHBondContact CB-O 3.41Å; P14-E88 WeakPolarHBondContact CG-O 3.16Å; R81-E88 IonicContact CZ-OE1 3.77Å; R81-E88 IonicContact NH1-OE1 3.59Å; R81-E88 PolarHBondContact NH1-OE1 3.15Å; R81-E88 IonicContact NH2-OE1 3.03Å; R81-E88 PolarHBondContact NH2-OE1 3.28Å; E88-G90 VanDerWaalsContact C-N 3.28Å; E88-G90 PolarHBondContact O-N 2.87Å |
| 89 | D | 91.3 | Very high | 97 | Very high | 148 Ų | 148 | 54.2 Ų | 54.2 | 79% | 0.791 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -10.4 | -177.6 | -57.9 | -39.3 | 0 | 0 | 0 | 112.9 | S87 | S87-D89 VanDerWaalsContact C-N 3.3Å; S87-D89 PolarHBondContact O-N 3.11Å |
| 90 | G | 93.3 | Very high | 97.1 | Very high | 20 Ų | 20 | 52 Ų | 52 | 21% | 0.206 | 28% | 0.281 | C | S | . | . | trans | -75.8 | 134.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113 | P14 E88 H92 | P14-G90 VanDerWaalsContact CG-O 3.26Å; P14-G90 WeakPolarHBondContact CG-O 3.21Å; E88-G90 VanDerWaalsContact C-N 3.28Å; E88-G90 PolarHBondContact O-N 2.87Å; G90-H92 PolarHBondContact O-CD2 3.02Å; G90-H92 VanDerWaalsContact O-CD2 3.27Å | ||
| 91 | S | 97.4 | Very high | 97.1 | Very high | 72 Ų | 72 | 52.9 Ų | 52.9 | 50% | 0.503 | 29% | 0.285 | S | S | . | . | trans | -82.1 | 131.9 | 164.5 | 179.6 | 0 | 0 | 0 | 0 | 109 | S12 | S12-S91 WeakPolarHBondContact O-CB 3.4Å; S12-S91 PolarHBondContact O-OG 2.89Å | ||
| 92 | H | 98.4 | Very high | 97.2 | Very high | 17 Ų | 17 | 49.5 Ų | 49.5 | 8% | 0.079 | 27% | 0.273 | C | S | . | . | trans | -131.6 | 153.2 | -175.7 | -65.1 | -70.2 | 0 | 0 | 0 | 110.6 | V11 S12 L77 Q86 G90 Y117 D118 | V11-H92 WeakPolarHBondContact CA-O 3.41Å; S12-H92 PolarHBondContact N-O 2.9Å; S12-H92 PolarHBondContact OG-N 3.17Å; S12-H92 PolarHBondContact OG-O 2.95Å; L77-H92 HydrophobicContact CD2-CB 4.07Å; Q86-H92 PolarHBondContact NE2-CE1 2.84Å; Q86-H92 PolarHBondContact OE1-CE1 2.94Å; Q86-H92 VanDerWaalsContact OE1-CE1 3.28Å; G90-H92 PolarHBondContact O-CD2 3.02Å; G90-H92 VanDerWaalsContact O-CD2 3.27Å; H92-Y117 HydrophobicContact CB-CE2 3.89Å; H92-Y117 WeakPolarHBondContact CB-OH 3.45Å; H92-Y117 AromaticContact ND1-CZ 3.94Å; H92-Y117 PolarHBondContact ND1-OH 3.34Å; H92-D118 WeakPolarHBondContact CA-OD1 3.23Å; H92-D118 WeakPolarHBondContact CB-OD1 3.4Å; H92-D118 IonicContact CE1-OD2 2.63Å; H92-D118 IonicContact CG-OD1 2.69Å; H92-D118 IonicContact CG-OD2 2.94Å; H92-D118 IonicContact ND1-OD1 3.64Å; H92-D118 PolarHBondContact ND1-OD1 3.05Å; H92-D118 IonicContact ND1-OD2 3.96Å; H92-D118 PolarHBondContact ND1-OD2 3.04Å | ||
| 93 | T | 98.8 | Very high | 97.2 | Very high | 34 Ų | 34 | 47.6 Ų | 47.6 | 21% | 0.209 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 130.5 | -175.2 | -53.8 | 0 | 0 | 0 | 0 | 111.4 | T9 S10 V11 Q95 Y117 D118 | T9-T93 HydrophobicContact CG2-CG2 3.99Å; S10-T93 CarbonylContact O-C 3.59Å; S10-T93 VanDerWaalsContact O-CA 3.29Å; S10-T93 WeakPolarHBondContact O-CA 3.09Å; V11-T93 HydrophobicContact CG2-CG2 4.18Å; T93-Q95 HydrophobicContact CG2-CG 3.88Å; T93-Y117 CarbonylContact O-C 3.57Å; T93-Y117 WeakPolarHBondContact O-CA 3.05Å; T93-Y117 VanDerWaalsContact O-CD2 3.31Å; T93-Y117 WeakPolarHBondContact O-CD2 3.03Å; T93-D118 PolarHBondContact N-OD1 2.82Å; T93-D118 PolarHBondContact O-N 3.14Å |
| 94 | I | 98.8 | Very high | 97 | Very high | 8 Ų | 8 | 51.1 Ų | 51.1 | 4% | 0.041 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 133.9 | 161.8 | -64.7 | 173.7 | 0 | 0 | 0 | 107.9 | T9 S10 D76 L77 L80 I96 A116 Y117 | T9-I94 WeakPolarHBondContact CA-O 3.41Å; S10-I94 PolarHBondContact N-O 3.05Å; S10-I94 PolarHBondContact O-N 2.95Å; D76-I94 HydrophobicContact CB-CD1 3.71Å; L77-I94 HydrophobicContact CB-CD1 4.44Å; L77-I94 HydrophobicContact CD2-CD1 4Å; L77-I94 HydrophobicContact CD2-CG1 3.79Å; L77-I94 HydrophobicContact CG-CD1 3.72Å; L77-I94 HydrophobicContact CG-CG1 4.06Å; L80-I94 HydrophobicContact CD1-CD1 3.55Å; L80-I94 HydrophobicContact CD1-CG1 3.65Å; I94-I96 HydrophobicContact CG2-CD1 4.25Å; I94-I96 HydrophobicContact CG2-CG1 4.04Å; I94-A116 WeakPolarHBondContact CA-O 3.46Å; I94-Y117 HydrophobicContact CG1-CD2 4Å; I94-Y117 HydrophobicContact CG1-CE2 4.44Å |
| 95 | Q | 98.9 | Very high | 96.9 | Very high | 83 Ų | 83 | 52.4 Ų | 52.4 | 39% | 0.388 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 137.3 | 170.6 | -62.8 | 173.7 | -96.1 | 0 | 0 | 109.4 | Y8 T9 T93 D115 A116 | Y8-Q95 CarbonylContact O-C 3.51Å; Y8-Q95 VanDerWaalsContact O-CA 3.29Å; Y8-Q95 WeakPolarHBondContact O-CA 3.37Å; T9-Q95 HydrophobicContact CG2-CG 4.28Å; T93-Q95 HydrophobicContact CG2-CG 3.88Å; Q95-D115 CarbonylContact O-C 3.58Å; Q95-D115 VanDerWaalsContact O-CA 3.28Å; Q95-D115 WeakPolarHBondContact O-CA 3.4Å; Q95-A116 HydrophobicContact CB-CB 4.32Å; Q95-A116 PolarHBondContact N-O 3.18Å; Q95-A116 PolarHBondContact O-N 3.02Å |
| 96 | I | 98.8 | Very high | 96.8 | Very high | 6 Ų | 6 | 45.8 Ų | 45.8 | 3% | 0.031 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 132.1 | 179 | -61.2 | 165.2 | 0 | 0 | 0 | 108.2 | F7 Y8 I94 Y98 R113 Q114 D115 | F7-I96 CarbonylContact C-O 3.57Å; F7-I96 WeakPolarHBondContact CA-O 3.2Å; Y8-I96 HydrophobicContact CD2-CB 4.41Å; Y8-I96 HydrophobicContact CD2-CD1 4.4Å; Y8-I96 PolarHBondContact N-O 2.87Å; Y8-I96 PolarHBondContact O-N 3.26Å; I94-I96 HydrophobicContact CG2-CD1 4.25Å; I94-I96 HydrophobicContact CG2-CG1 4.04Å; I96-Y98 HydrophobicContact CG2-CD1 4.06Å; I96-R113 VanDerWaalsContact CG2-NH1 3.34Å; I96-Q114 WeakPolarHBondContact CA-O 3.26Å; I96-D115 HydrophobicContact CG1-CB 4.37Å |
| 97 | M | 98.8 | Very high | 96.8 | Very high | 19 Ų | 19 | 51.1 Ų | 51.1 | 9% | 0.094 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 128.9 | 167.2 | -172.7 | -78.6 | -68.1 | 0 | 0 | 109.5 | Y6 F7 Y112 R113 Q114 | Y6-M97 WeakPolarHBondContact O-CA 3.35Å; F7-M97 HydrophobicContact CD1-CB 4.06Å; F7-M97 HydrophobicContact CD1-CG 3.66Å; F7-M97 HydrophobicContact CE1-CB 4.23Å; F7-M97 HydrophobicContact CE1-CG 3.4Å; F7-M97 VanDerWaalsContact CE1-CG 3.4Å; F7-M97 HydrophobicContact CZ-CG 4.11Å; M97-Y112 HydrophobicContact CE-CD1 4.09Å; M97-Y112 HydrophobicContact CE-CG 4.09Å; M97-R113 CarbonylContact O-C 3.56Å; M97-R113 WeakPolarHBondContact O-CA 3.46Å; M97-Q114 HydrophobicContact CB-CG 4.06Å; M97-Q114 HydrophobicContact CE-CG 3.87Å; M97-Q114 PolarHBondContact N-O 3.27Å; M97-Q114 PolarHBondContact O-N 3.09Å |
| 98 | Y | 98.8 | Very high | 97 | Very high | 25 Ų | 25 | 50.4 Ų | 50.4 | 10% | 0.098 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 158.4 | 171.1 | 71.7 | -86.9 | 0 | 0 | 0 | 111.2 | R5 Y6 Y8 I96 Y112 Y158 | R5-Y98 WeakPolarHBondContact CA-O 2.84Å; Y6-Y98 AromaticContact CD2-CE2 3.75Å; Y6-Y98 HydrophobicContact CD2-CE2 3.75Å; Y6-Y98 AromaticContact CD2-CZ 3.79Å; Y6-Y98 HydrophobicContact CG-CE1 4.33Å; Y6-Y98 HydrophobicContact CG-CE2 4.2Å; Y6-Y98 AromaticContact CG-CZ 3.77Å; Y6-Y98 PolarHBondContact N-O 2.88Å; Y6-Y98 PolarHBondContact O-N 3.3Å; Y8-Y98 HydrophobicContact CD2-CE1 4.25Å; Y8-Y98 HydrophobicContact CE1-CE1 4.16Å; Y8-Y98 AromaticContact CE2-CE1 3.59Å; Y8-Y98 HydrophobicContact CE2-CE1 3.59Å; Y8-Y98 AromaticContact CZ-CE1 3.57Å; Y8-Y98 AromaticContact CZ-CZ 3.97Å; Y8-Y98 PolarHBondContact OH-OH 3.37Å; I96-Y98 HydrophobicContact CG2-CD1 4.06Å; Y98-Y112 CarbonylContact C-O 3.53Å; Y98-Y112 WeakPolarHBondContact CA-O 3.15Å; Y98-Y112 WeakPolarHBondContact CB-O 3.22Å; Y98-Y158 HydrophobicContact CD2-CD1 4.5Å; Y98-Y158 AromaticContact CD2-CE1 3.76Å; Y98-Y158 HydrophobicContact CD2-CE1 3.76Å; Y98-Y158 AromaticContact CE2-CE1 3.62Å; Y98-Y158 HydrophobicContact CE2-CE1 3.62Å; Y98-Y158 AromaticContact CE2-CZ 3.89Å |
| 99 | G | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 157.1 | -175.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | M4 G111 Y112 L159 | M4-G99 CarbonylContact O-C 3.57Å; M4-G99 WeakPolarHBondContact O-CA 3.32Å; G99-G111 CarbonylContact O-C 3.58Å; G99-G111 WeakPolarHBondContact O-CA 3.22Å; G99-Y112 PolarHBondContact N-O 3.19Å; G99-Y112 PolarHBondContact O-N 3.36Å; G99-L159 WeakPolarHBondContact O-CD2 3.42Å |
| 100 | C | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 150.2 | -173 | 54.4 | 0 | 0 | 0 | 0 | 111.4 | S3 M4 F108 R110 C163 V164 | S3-C100 WeakPolarHBondContact CA-O 3.48Å; M4-C100 PolarHBondContact N-O 3.36Å; M4-C100 PolarHBondContact O-N 3.18Å; C100-F108 HydrophobicContact CB-CD2 4.35Å; C100-F108 HydrophobicContact CB-CE2 4.1Å; C100-R110 CarbonylContact C-O 3.56Å; C100-R110 WeakPolarHBondContact CA-O 3.43Å; C100-C163 HydrophobicContact CB-CB 3.89Å; C100-C163 WeakPolarHBondContact CB-SG 3.37Å; C100-C163 PolarHBondContact N-SG 2.88Å; C100-C163 WeakPolarHBondContact SG-CB 3.44Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 2.86Å; C100-V164 HydrophobicContact CB-CG2 4.38Å |
| 101 | D | 98.7 | Very high | 97.9 | Very high | 30 Ų | 30 | 46.1 Ų | 46.1 | 16% | 0.16 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 140.3 | 172.8 | -63.6 | -4.1 | 0 | 0 | 0 | 109.3 | H2 S3 R5 L109 R110 Y112 | H2-D101 WeakPolarHBondContact O-CA 3.33Å; S3-D101 WeakPolarHBondContact CB-OD1 3.29Å; R5-D101 IonicContact CZ-OD1 3.16Å; R5-D101 IonicContact NE-OD1 2.79Å; R5-D101 PolarHBondContact NE-OD1 3.39Å; R5-D101 VanDerWaalsContact NH2-CG 3.34Å; R5-D101 IonicContact NH2-OD1 3.39Å; R5-D101 PolarHBondContact NH2-OD1 2.61Å; R5-D101 IonicContact NH2-OD2 3.54Å; R5-D101 PolarHBondContact NH2-OD2 3.43Å; R5-D101 VanDerWaalsContact NH2-OD2 3.12Å; D101-L109 HydrophobicContact CB-CB 4.49Å; D101-L109 PolarHBondContact O-N 2.84Å; D101-R110 PolarHBondContact N-O 3.23Å; D101-R110 PolarHBondContact O-N 2.89Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.45Å; D101-Y112 PolarHBondContact OD2-OH 2.04Å; D101-Y112 VanDerWaalsContact OD2-OH 3.11Å |
| 102 | V | 98.6 | Very high | 97.9 | Very high | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.006 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 146 | 177.7 | -61.4 | 0 | 0 | 0 | 0 | 112 | S1 H2 R107 V164 L167 | S1-V102 WeakPolarHBondContact CA-O 3.34Å; S1-V102 VanDerWaalsContact CB-O 3.29Å; S1-V102 WeakPolarHBondContact CB-O 3.31Å; H2-V102 HydrophobicContact CB-CG2 4.04Å; H2-V102 PolarHBondContact N-O 2.71Å; H2-V102 PolarHBondContact O-N 3.06Å; V102-R107 CarbonylContact C-O 3.57Å; V102-R107 WeakPolarHBondContact CA-O 3.37Å; V102-R107 WeakPolarHBondContact CB-O 2.99Å; V102-V164 HydrophobicContact CG1-CB 4.42Å; V102-V164 HydrophobicContact CG1-CG1 3.95Å; V102-V164 HydrophobicContact CG1-CG2 4.01Å; V102-L167 HydrophobicContact CB-CD2 4.38Å; V102-L167 HydrophobicContact CG1-CD2 3.97Å; V102-L167 HydrophobicContact CG2-CD2 3.62Å; V102-L167 HydrophobicContact CG2-CG 4.22Å |
| 103 | G | 97.6 | Very high | 97.9 | Very high | 3 Ų | 3 | 44.8 Ų | 44.8 | 3% | 0.031 | 22% | 0.22 | C | C | . | . | trans | -71.4 | 175.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | D105 G106 R107 | G103-D105 PolarHBondContact O-N 3.28Å; G103-G106 WeakPolarHBondContact O-CA 3.41Å; G103-G106 PolarHBondContact O-N 2.93Å; G103-R107 PolarHBondContact N-O 3.37Å | ||
| 104 | P | 94.5 | Very high | 97.9 | Very high | 126 Ų | 126 | 47 Ų | 47 | 82% | 0.818 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -26.5 | 174.1 | -23 | 34 | 0 | 0 | 0 | 113.6 | G106 | P104-G106 PolarHBondContact O-N 2.94Š|
| 105 | D | 94.6 | Very high | 97.9 | Very high | 95 Ų | 95 | 47.4 Ų | 47.4 | 51% | 0.508 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | 5.4 | 173.8 | 67.3 | -10 | 0 | 0 | 0 | 113.2 | G103 R107 | G103-D105 PolarHBondContact O-N 3.28Å; D105-R107 PolarHBondContact O-N 2.86Å; D105-R107 WeakPolarHBondContact OD1-CB 3.36Å; D105-R107 PolarHBondContact OD1-N 3.05Å; D105-R107 WeakPolarHBondContact OD2-CD 3.35Å; D105-R107 VanDerWaalsContact OD2-CG 3.31Å; D105-R107 WeakPolarHBondContact OD2-CG 3.32Å; D105-R107 IonicContact OD2-CZ 3.98Å; D105-R107 IonicContact OD2-NE 3.49Å; D105-R107 PolarHBondContact OD2-NE 3.42Å; D105-R107 IonicContact OD2-NH1 2.69Å; D105-R107 PolarHBondContact OD2-NH1 3.43Å |
| 106 | G | 94.8 | Very high | 97.9 | Very high | 13 Ų | 13 | 44.3 Ų | 44.3 | 13% | 0.134 | 22% | 0.219 | C | C | . | . | trans | 71.7 | 4.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | G103 P104 R168 | G103-G106 WeakPolarHBondContact O-CA 3.41Å; G103-G106 PolarHBondContact O-N 2.93Å; P104-G106 PolarHBondContact O-N 2.94Å; G106-R168 PolarHBondContact O-NE 3.22Å; G106-R168 PolarHBondContact O-NH2 3.11Å | ||
| 107 | R | 97.4 | Very high | 97.9 | Very high | 171 Ų | 171 | 44.5 Ų | 44.5 | 65% | 0.645 | 22% | 0.219 | S | C | * | . | trans | -76.6 | 147.5 | -180 | -65.5 | -174.6 | -170.6 | 154.5 | -1.1 | 111.4 | V102 G103 D105 L109 | V102-R107 CarbonylContact C-O 3.57Å; V102-R107 WeakPolarHBondContact CA-O 3.37Å; V102-R107 WeakPolarHBondContact CB-O 2.99Å; G103-R107 PolarHBondContact N-O 3.37Å; D105-R107 PolarHBondContact O-N 2.86Å; D105-R107 WeakPolarHBondContact OD1-CB 3.36Å; D105-R107 PolarHBondContact OD1-N 3.05Å; D105-R107 WeakPolarHBondContact OD2-CD 3.35Å; D105-R107 VanDerWaalsContact OD2-CG 3.31Å; D105-R107 WeakPolarHBondContact OD2-CG 3.32Å; D105-R107 IonicContact OD2-CZ 3.98Å; D105-R107 IonicContact OD2-NE 3.49Å; D105-R107 PolarHBondContact OD2-NE 3.42Å; D105-R107 IonicContact OD2-NH1 2.69Å; D105-R107 PolarHBondContact OD2-NH1 3.43Å; R107-L109 PolarHBondContact O-N 2.96Å | ||
| 108 | F | 98.5 | Very high | 97.9 | Very high | 61 Ų | 61 | 46.5 Ų | 46.5 | 27% | 0.268 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.7 | 128 | 175.9 | -178.1 | -99.8 | 0 | 0 | 0 | 110.8 | C100 R110 L129 L159 E160 V164 | C100-F108 HydrophobicContact CB-CD2 4.35Å; C100-F108 HydrophobicContact CB-CE2 4.1Å; F108-R110 VanDerWaalsContact CE2-C 3.46Å; F108-R110 VanDerWaalsContact CE2-O 3.31Å; F108-R110 WeakPolarHBondContact CE2-O 3.36Å; F108-L129 HydrophobicContact CE1-CD1 3.93Å; F108-L129 HydrophobicContact CZ-CD1 3.63Å; F108-L159 HydrophobicContact CE2-CB 4.39Å; F108-L159 WeakPolarHBondContact CE2-O 3.4Å; F108-E160 HydrophobicContact CD1-CG 4.31Å; F108-E160 HydrophobicContact CE1-CG 4.16Å; F108-E160 HydrophobicContact CZ-CG 4.25Å; F108-V164 HydrophobicContact CB-CG2 4.08Å; F108-V164 HydrophobicContact CD2-CG2 3.67Å; F108-V164 HydrophobicContact CG-CG2 4.36Å |
| 109 | L | 97.9 | Very high | 97.8 | Very high | 109 Ų | 109 | 48 Ų | 48 | 57% | 0.571 | 25% | 0.253 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.5 | -49.3 | 172.9 | -64.8 | -179.6 | 0 | 0 | 0 | 111.1 | D101 R107 | D101-L109 HydrophobicContact CB-CB 4.49Å; D101-L109 PolarHBondContact O-N 2.84Å; R107-L109 PolarHBondContact O-N 2.96Å |
| 110 | R | 97.9 | Very high | 97.8 | Very high | 92 Ų | 92 | 55.6 Ų | 55.6 | 35% | 0.347 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 150.5 | -172.4 | -174.3 | 165.4 | 168.4 | 154.7 | 8.9 | 111.2 | C100 D101 F108 Y112 E127 | C100-R110 CarbonylContact C-O 3.56Å; C100-R110 WeakPolarHBondContact CA-O 3.43Å; D101-R110 PolarHBondContact N-O 3.23Å; D101-R110 PolarHBondContact O-N 2.89Å; F108-R110 VanDerWaalsContact CE2-C 3.46Å; F108-R110 VanDerWaalsContact CE2-O 3.31Å; F108-R110 WeakPolarHBondContact CE2-O 3.36Å; R110-Y112 HydrophobicContact CB-CE2 4.21Å; R110-Y112 WeakPolarHBondContact CD-OH 3.01Å; R110-Y112 HydrophobicContact CG-CE1 4.3Å; R110-Y112 HydrophobicContact CG-CE2 3.79Å; R110-Y112 VanDerWaalsContact NE-CE1 3.27Å; R110-Y112 VanDerWaalsContact NE-CZ 3.32Å; R110-Y112 PolarHBondContact NE-OH 2.87Å; R110-E127 IonicContact CZ-OE1 3.92Å; R110-E127 IonicContact NE-OE1 2.72Å; R110-E127 VanDerWaalsContact NH1-CD 3.27Å; R110-E127 IonicContact NH1-OE1 3.37Å; R110-E127 PolarHBondContact NH1-OE1 3.08Å; R110-E127 IonicContact NH1-OE2 3.74Å; R110-E127 VanDerWaalsContact NH2-CD 3.34Å; R110-E127 VanDerWaalsContact NH2-CG 3.31Å; R110-E127 IonicContact NH2-OE1 3.5Å; R110-E127 PolarHBondContact NH2-OE1 3.37Å |
| 111 | G | 98.4 | Very high | 97.8 | Very high | 4 Ų | 4 | 61.8 Ų | 61.8 | 4% | 0.041 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 155.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | G99 | G99-G111 CarbonylContact O-C 3.58Å; G99-G111 WeakPolarHBondContact O-CA 3.22Å |
| 112 | Y | 98.6 | Very high | 97.8 | Very high | 40 Ų | 40 | 60.8 Ų | 60.8 | 16% | 0.157 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 139.2 | -176.1 | -57.6 | -93.9 | 0 | 0 | 0 | 109.8 | M97 Y98 G99 D101 R110 | M97-Y112 HydrophobicContact CE-CD1 4.09Å; M97-Y112 HydrophobicContact CE-CG 4.09Å; Y98-Y112 CarbonylContact C-O 3.53Å; Y98-Y112 WeakPolarHBondContact CA-O 3.15Å; Y98-Y112 WeakPolarHBondContact CB-O 3.22Å; G99-Y112 PolarHBondContact N-O 3.19Å; G99-Y112 PolarHBondContact O-N 3.36Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.45Å; D101-Y112 PolarHBondContact OD2-OH 2.04Å; D101-Y112 VanDerWaalsContact OD2-OH 3.11Å; R110-Y112 HydrophobicContact CB-CE2 4.21Å; R110-Y112 WeakPolarHBondContact CD-OH 3.01Å; R110-Y112 HydrophobicContact CG-CE1 4.3Å; R110-Y112 HydrophobicContact CG-CE2 3.79Å; R110-Y112 VanDerWaalsContact NE-CE1 3.27Å; R110-Y112 VanDerWaalsContact NE-CZ 3.32Å; R110-Y112 PolarHBondContact NE-OH 2.87Å |
| 113 | R | 98.4 | Very high | 97.8 | Very high | 21 Ų | 21 | 60.9 Ų | 60.9 | 8% | 0.079 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 112.1 | 159.8 | 170.7 | 62.4 | -168.7 | -145.6 | 2.6 | 107 | I96 M97 D115 L125 W132 | I96-R113 VanDerWaalsContact CG2-NH1 3.34Å; M97-R113 CarbonylContact O-C 3.56Å; M97-R113 WeakPolarHBondContact O-CA 3.46Å; R113-D115 IonicContact CZ-OD1 3.05Å; R113-D115 VanDerWaalsContact CZ-OD1 3.32Å; R113-D115 IonicContact CZ-OD2 2.82Å; R113-D115 IonicContact NE-OD1 3.3Å; R113-D115 PolarHBondContact NE-OD1 2.71Å; R113-D115 IonicContact NE-OD2 3.46Å; R113-D115 IonicContact NH2-OD1 3.12Å; R113-D115 PolarHBondContact NH2-OD1 3.18Å; R113-D115 IonicContact NH2-OD2 2.76Å; R113-D115 PolarHBondContact NH2-OD2 3.07Å; R113-L125 HydrophobicContact CB-CB 3.96Å; R113-L125 HydrophobicContact CB-CD2 4.25Å; R113-L125 WeakPolarHBondContact O-CB 3.44Å; R113-L125 PolarHBondContact O-N 2.86Å; R113-W132 HydrophobicContact CG-CH2 4.07Å; R113-W132 HydrophobicContact CG-CZ3 4.09Å |
| 114 | Q | 98.5 | Very high | 97.9 | Very high | 81 Ų | 81 | 62.2 Ų | 62.2 | 38% | 0.379 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 139.5 | -179.7 | 65.5 | -167 | 46.8 | 0 | 0 | 110.6 | I96 M97 I123 A124 | I96-Q114 WeakPolarHBondContact CA-O 3.26Å; M97-Q114 HydrophobicContact CB-CG 4.06Å; M97-Q114 HydrophobicContact CE-CG 3.87Å; M97-Q114 PolarHBondContact N-O 3.27Å; M97-Q114 PolarHBondContact O-N 3.09Å; Q114-I123 WeakPolarHBondContact CA-O 3.31Å; Q114-A124 HydrophobicContact CB-CB 3.91Å |
| 115 | D | 98.7 | Very high | 98.1 | Very high | 16 Ų | 16 | 56.9 Ų | 56.9 | 9% | 0.086 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 140 | -174.5 | -57.7 | 20.7 | 0 | 0 | 0 | 107.7 | Q95 I96 R113 Y122 I123 | Q95-D115 CarbonylContact O-C 3.58Å; Q95-D115 VanDerWaalsContact O-CA 3.28Å; Q95-D115 WeakPolarHBondContact O-CA 3.4Å; I96-D115 HydrophobicContact CG1-CB 4.37Å; R113-D115 IonicContact CZ-OD1 3.05Å; R113-D115 VanDerWaalsContact CZ-OD1 3.32Å; R113-D115 IonicContact CZ-OD2 2.82Å; R113-D115 IonicContact NE-OD1 3.3Å; R113-D115 PolarHBondContact NE-OD1 2.71Å; R113-D115 IonicContact NE-OD2 3.46Å; R113-D115 IonicContact NH2-OD1 3.12Å; R113-D115 PolarHBondContact NH2-OD1 3.18Å; R113-D115 IonicContact NH2-OD2 2.76Å; R113-D115 PolarHBondContact NH2-OD2 3.07Å; D115-Y122 WeakPolarHBondContact O-CA 3.38Å; D115-Y122 VanDerWaalsContact O-CB 3.32Å; D115-Y122 WeakPolarHBondContact O-CB 3.2Å; D115-Y122 PolarHBondContact O-N 3.16Å; D115-I123 HydrophobicContact CB-CG2 4.11Å; D115-I123 PolarHBondContact N-O 3.45Å; D115-I123 PolarHBondContact O-N 3.04Å |
| 116 | A | 98.9 | Very high | 98.3 | Very high | 17 Ų | 17 | 54.5 Ų | 54.5 | 14% | 0.14 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 147.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | I94 Q95 K120 | I94-A116 WeakPolarHBondContact CA-O 3.46Å; Q95-A116 HydrophobicContact CB-CB 4.32Å; Q95-A116 PolarHBondContact N-O 3.18Å; Q95-A116 PolarHBondContact O-N 3.02Å; A116-K120 CarbonylContact C-O 3.53Å; A116-K120 WeakPolarHBondContact CA-O 3.47Å; A116-K120 WeakPolarHBondContact CB-O 3.17Å |
| 117 | Y | 98.8 | Very high | 98.5 | Very high | 11 Ų | 11 | 60.3 Ų | 60.3 | 4% | 0.043 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 127.3 | 177.3 | -174.4 | -116.8 | 0 | 0 | 0 | 110.1 | L77 L80 Y84 Q86 H92 T93 I94 G119 K120 | L77-Y117 HydrophobicContact CD2-CE2 4.33Å; L80-Y117 HydrophobicContact CB-CD2 4.11Å; L80-Y117 HydrophobicContact CB-CE1 4.21Å; L80-Y117 HydrophobicContact CB-CE2 3.72Å; L80-Y117 HydrophobicContact CB-CG 4.49Å; L80-Y117 HydrophobicContact CD1-CD2 3.45Å; L80-Y117 VanDerWaalsContact CD1-CD2 3.45Å; L80-Y117 HydrophobicContact CD1-CE2 3.81Å; L80-Y117 HydrophobicContact CD1-CG 3.99Å; L80-Y117 HydrophobicContact CG-CD2 4.36Å; L80-Y117 HydrophobicContact CG-CE2 4.41Å; Y84-Y117 AromaticContact CD2-CD1 3.7Å; Y84-Y117 HydrophobicContact CD2-CD1 3.7Å; Y84-Y117 AromaticContact CD2-CE1 3.5Å; Y84-Y117 HydrophobicContact CD2-CE1 3.5Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.5Å; Y84-Y117 AromaticContact CE2-CD1 3.5Å; Y84-Y117 HydrophobicContact CE2-CD1 3.5Å; Y84-Y117 AromaticContact CE2-CE1 3.83Å; Y84-Y117 HydrophobicContact CE2-CE1 3.83Å; Y84-Y117 HydrophobicContact CE2-CG 4.42Å; Y84-Y117 HydrophobicContact CG-CE1 4.35Å; Q86-Y117 PolarHBondContact OE1-OH 2.9Å; H92-Y117 HydrophobicContact CB-CE2 3.89Å; H92-Y117 WeakPolarHBondContact CB-OH 3.45Å; H92-Y117 AromaticContact ND1-CZ 3.94Å; H92-Y117 PolarHBondContact ND1-OH 3.34Å; T93-Y117 CarbonylContact O-C 3.57Å; T93-Y117 WeakPolarHBondContact O-CA 3.05Å; T93-Y117 VanDerWaalsContact O-CD2 3.31Å; T93-Y117 WeakPolarHBondContact O-CD2 3.03Å; I94-Y117 HydrophobicContact CG1-CD2 4Å; I94-Y117 HydrophobicContact CG1-CE2 4.44Å; Y117-G119 PolarHBondContact O-N 2.93Å; Y117-K120 PolarHBondContact N-O 2.77Å; Y117-K120 PolarHBondContact O-N 3.4Å |
| 118 | D | 98.4 | Very high | 98.5 | Very high | 61 Ų | 61 | 55.9 Ų | 55.9 | 33% | 0.326 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.5 | 40.1 | -175.5 | -66.1 | -22 | 0 | 0 | 0 | 113.3 | Q86 H92 T93 K120 | Q86-D118 PolarHBondContact NE2-OD2 3.4Å; H92-D118 WeakPolarHBondContact CA-OD1 3.23Å; H92-D118 WeakPolarHBondContact CB-OD1 3.4Å; H92-D118 IonicContact CE1-OD2 2.63Å; H92-D118 IonicContact CG-OD1 2.69Å; H92-D118 IonicContact CG-OD2 2.94Å; H92-D118 IonicContact ND1-OD1 3.64Å; H92-D118 PolarHBondContact ND1-OD1 3.05Å; H92-D118 IonicContact ND1-OD2 3.96Å; H92-D118 PolarHBondContact ND1-OD2 3.04Å; T93-D118 PolarHBondContact N-OD1 2.82Å; T93-D118 PolarHBondContact O-N 3.14Å; D118-K120 VanDerWaalsContact C-N 3.31Å; D118-K120 PolarHBondContact O-N 2.92Å |
| 119 | G | 97.9 | Very high | 98.5 | Very high | 56 Ų | 56 | 53.1 Ų | 53.1 | 58% | 0.577 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.6 | 7.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y117 | Y117-G119 PolarHBondContact O-N 2.93Š|
| 120 | K | 98.6 | Very high | 98.5 | Very high | 160 Ų | 160 | 55.9 Ų | 55.9 | 70% | 0.696 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 144.8 | 175.9 | -60.7 | -177.9 | -176.4 | 177 | 0 | 110.8 | A116 Y117 D118 Y122 | A116-K120 CarbonylContact C-O 3.53Å; A116-K120 WeakPolarHBondContact CA-O 3.47Å; A116-K120 WeakPolarHBondContact CB-O 3.17Å; Y117-K120 PolarHBondContact N-O 2.77Å; Y117-K120 PolarHBondContact O-N 3.4Å; D118-K120 VanDerWaalsContact C-N 3.31Å; D118-K120 PolarHBondContact O-N 2.92Å; K120-Y122 PolarHBondContact O-N 3.03Å |
| 121 | D | 98.8 | Very high | 98.5 | Very high | 129 Ų | 129 | 53.2 Ų | 53.2 | 69% | 0.69 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -51.9 | 133.8 | 173.4 | -67.9 | -21.1 | 0 | 0 | 0 | 110.4 | A135 | D121-A135 HydrophobicContact CB-CB 4.41Å; D121-A135 WeakPolarHBondContact O-CB 3.37Å |
| 122 | Y | 98.8 | Very high | 98.5 | Very high | 10 Ų | 10 | 53.2 Ų | 53.2 | 4% | 0.039 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | -62.8 | 179 | 179.3 | -107.9 | 0 | 0 | 0 | 110.2 | L80 Y84 D115 K120 A135 A138 A139 T142 | L80-Y122 HydrophobicContact CD2-CD2 4.26Å; L80-Y122 HydrophobicContact CD2-CE1 3.84Å; L80-Y122 HydrophobicContact CD2-CE2 3.52Å; L80-Y122 VanDerWaalsContact CD2-OH 3.32Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.34Å; Y84-Y122 HydrophobicContact CE2-CD2 4.37Å; Y84-Y122 HydrophobicContact CE2-CE2 4.08Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.09Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.37Å; D115-Y122 WeakPolarHBondContact O-CA 3.38Å; D115-Y122 VanDerWaalsContact O-CB 3.32Å; D115-Y122 WeakPolarHBondContact O-CB 3.2Å; D115-Y122 PolarHBondContact O-N 3.16Å; K120-Y122 PolarHBondContact O-N 3.03Å; Y122-A135 WeakPolarHBondContact O-CB 3.2Å; Y122-A135 PolarHBondContact O-N 3.29Å; Y122-A138 HydrophobicContact CE2-CB 4.4Å; Y122-A138 PolarHBondContact OH-O 2.9Å; Y122-A139 HydrophobicContact CD1-CB 4.5Å; Y122-A139 HydrophobicContact CD2-CB 3.79Å; Y122-A139 HydrophobicContact CE1-CB 4.36Å; Y122-A139 HydrophobicContact CE2-CB 3.64Å; Y122-A139 HydrophobicContact CG-CB 4.21Å; Y122-A139 WeakPolarHBondContact O-CB 3.13Å; Y122-T142 HydrophobicContact CE1-CG2 4.19Å; Y122-T142 PolarHBondContact OH-OG1 3.45Å |
| 123 | I | 98.8 | Very high | 98.5 | Very high | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.015 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 142 | 178.4 | -162.2 | 172.6 | 0 | 0 | 0 | 110.8 | Q114 D115 W132 T133 A134 T142 K143 W146 | Q114-I123 WeakPolarHBondContact CA-O 3.31Å; D115-I123 HydrophobicContact CB-CG2 4.11Å; D115-I123 PolarHBondContact N-O 3.45Å; D115-I123 PolarHBondContact O-N 3.04Å; I123-W132 HydrophobicContact CD1-CB 4.17Å; I123-W132 HydrophobicContact CD1-CD2 4.48Å; I123-W132 HydrophobicContact CD1-CE3 4.31Å; I123-W132 HydrophobicContact CD1-CG 4.44Å; I123-W132 HydrophobicContact CG1-CB 4.26Å; I123-W132 HydrophobicContact CG1-CE3 4.14Å; I123-T133 CarbonylContact C-O 3.58Å; I123-T133 WeakPolarHBondContact CA-O 3.4Å; I123-T133 WeakPolarHBondContact CG1-O 3.31Å; I123-A134 HydrophobicContact CG1-CB 4.47Å; I123-T142 HydrophobicContact CD1-CG2 4.08Å; I123-K143 HydrophobicContact CD1-CB 3.87Å; I123-W146 HydrophobicContact CD1-CE3 4.09Å; I123-W146 HydrophobicContact CD1-CZ3 4.33Å; I123-W146 HydrophobicContact CG2-CH2 4.07Å; I123-W146 HydrophobicContact CG2-CZ3 3.77Å |
| 124 | A | 98.8 | Very high | 98.5 | Very high | 31 Ų | 31 | 54.8 Ų | 54.8 | 26% | 0.256 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 139.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q114 W132 T133 | Q114-A124 HydrophobicContact CB-CB 3.91Å; A124-W132 CarbonylContact O-C 3.5Å; A124-W132 WeakPolarHBondContact O-CA 3.48Å; A124-T133 PolarHBondContact N-O 2.86Å; A124-T133 PolarHBondContact O-N 2.72Å |
| 125 | L | 98.8 | Very high | 98.5 | Very high | 14 Ų | 14 | 53.9 Ų | 53.9 | 7% | 0.073 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 125.9 | 168.5 | -174.7 | 64.7 | 0 | 0 | 0 | 108.2 | R113 L129 W132 A152 Q155 L159 | R113-L125 HydrophobicContact CB-CB 3.96Å; R113-L125 HydrophobicContact CB-CD2 4.25Å; R113-L125 WeakPolarHBondContact O-CB 3.44Å; R113-L125 PolarHBondContact O-N 2.86Å; L125-L129 HydrophobicContact CD2-CB 4.41Å; L125-L129 HydrophobicContact CD2-CD2 3.79Å; L125-L129 HydrophobicContact CG-CD2 4.3Å; L125-W132 HydrophobicContact CB-CE3 3.92Å; L125-W132 HydrophobicContact CB-CH2 3.99Å; L125-W132 HydrophobicContact CB-CZ3 3.55Å; L125-W132 HydrophobicContact CD1-CD2 4.1Å; L125-W132 HydrophobicContact CD1-CE3 4.24Å; L125-W132 HydrophobicContact CD1-CH2 4.01Å; L125-W132 HydrophobicContact CD1-CZ2 3.87Å; L125-W132 HydrophobicContact CD1-CZ3 4.18Å; L125-W132 HydrophobicContact CG-CH2 4.45Å; L125-W132 HydrophobicContact CG-CZ3 4.42Å; L125-A152 HydrophobicContact CD1-CB 3.96Å; L125-Q155 HydrophobicContact CD2-CB 3.92Å; L125-L159 HydrophobicContact CD2-CD1 3.95Å |
| 126 | N | 98.7 | Very high | 98.5 | Very high | 45 Ų | 45 | 55.9 Ų | 55.9 | 24% | 0.241 | 31% | 0.309 | C | S | . | . | trans | -70.1 | 162.7 | 179.3 | -67.5 | -30.3 | 0 | 0 | 0 | 111.1 | D128 L129 S131 T133 | N126-D128 PolarHBondContact O-N 3.21Å; N126-L129 PolarHBondContact O-N 3.17Å; N126-S131 WeakPolarHBondContact CB-O 3.48Å; N126-S131 PolarHBondContact N-O 2.99Å; N126-S131 PolarHBondContact ND2-O 2.82Å; N126-S131 PolarHBondContact ND2-OG 2.62Å; N126-T133 PolarHBondContact ND2-OG1 2.9Å; N126-T133 WeakPolarHBondContact OD1-CB 3.27Å; N126-T133 PolarHBondContact OD1-OG1 2.88Å | ||
| 127 | E | 97.9 | Very high | 98.5 | Very high | 134 Ų | 134 | 61.8 Ų | 61.8 | 63% | 0.626 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -22.1 | -179.6 | -65.8 | -178.3 | -166.9 | 0 | 0 | 113.5 | R110 L129 | R110-E127 IonicContact CZ-OE1 3.92Å; R110-E127 IonicContact NE-OE1 2.72Å; R110-E127 VanDerWaalsContact NH1-CD 3.27Å; R110-E127 IonicContact NH1-OE1 3.37Å; R110-E127 PolarHBondContact NH1-OE1 3.08Å; R110-E127 IonicContact NH1-OE2 3.74Å; R110-E127 VanDerWaalsContact NH2-CD 3.34Å; R110-E127 VanDerWaalsContact NH2-CG 3.31Å; R110-E127 IonicContact NH2-OE1 3.5Å; R110-E127 PolarHBondContact NH2-OE1 3.37Å; E127-L129 PolarHBondContact O-N 3.27Å |
| 128 | D | 97.9 | Very high | 98.4 | Very high | 79 Ų | 79 | 61.7 Ų | 61.7 | 42% | 0.422 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -9.7 | 174.4 | 69.6 | 7.3 | 0 | 0 | 0 | 114.1 | N126 R130 S131 | N126-D128 PolarHBondContact O-N 3.21Å; D128-R130 WeakPolarHBondContact O-CG 3.46Å; D128-R130 PolarHBondContact O-N 2.91Å; D128-R130 PolarHBondContact OD1-N 2.86Å; D128-S131 VanDerWaalsContact CG-OG 3.28Å; D128-S131 PolarHBondContact OD1-N 2.89Å; D128-S131 PolarHBondContact OD1-OG 3.47Å; D128-S131 WeakPolarHBondContact OD2-CB 3.41Å; D128-S131 PolarHBondContact OD2-OG 3.33Å |
| 129 | L | 98.4 | Very high | 98.4 | Very high | 3 Ų | 3 | 58.8 Ų | 58.8 | 2% | 0.016 | 32% | 0.321 | C | S | . | . | S | Bend | trans | 53.9 | 26.7 | -175.2 | -51.1 | 177.8 | 0 | 0 | 0 | 114.1 | F108 L125 N126 E127 R156 L159 E160 | F108-L129 HydrophobicContact CE1-CD1 3.93Å; F108-L129 HydrophobicContact CZ-CD1 3.63Å; L125-L129 HydrophobicContact CD2-CB 4.41Å; L125-L129 HydrophobicContact CD2-CD2 3.79Å; L125-L129 HydrophobicContact CG-CD2 4.3Å; N126-L129 PolarHBondContact O-N 3.17Å; E127-L129 PolarHBondContact O-N 3.27Å; L129-R156 HydrophobicContact CB-CB 4.02Å; L129-R156 HydrophobicContact CB-CG 3.87Å; L129-R156 HydrophobicContact CD1-CG 4.06Å; L129-L159 HydrophobicContact CD2-CD1 3.96Å; L129-E160 HydrophobicContact CD1-CG 4.03Å |
| 130 | R | 97.9 | Very high | 98.5 | Very high | 166 Ų | 166 | 58.9 Ų | 58.9 | 63% | 0.626 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -132 | -30.9 | -174.4 | -70.9 | 169.2 | -175.3 | -100.2 | 11.5 | 112.4 | D128 A152 | D128-R130 WeakPolarHBondContact O-CG 3.46Å; D128-R130 PolarHBondContact O-N 2.91Å; D128-R130 PolarHBondContact OD1-N 2.86Å; R130-A152 WeakPolarHBondContact O-CB 3.36Å |
| 131 | S | 98.3 | Very high | 98.5 | Very high | 37 Ų | 37 | 54.2 Ų | 54.2 | 26% | 0.259 | 29% | 0.289 | S | S | . | . | trans | -118.9 | 159.1 | -176 | 66.1 | 0 | 0 | 0 | 0 | 112.1 | N126 D128 | N126-S131 WeakPolarHBondContact CB-O 3.48Å; N126-S131 PolarHBondContact N-O 2.99Å; N126-S131 PolarHBondContact ND2-O 2.82Å; N126-S131 PolarHBondContact ND2-OG 2.62Å; D128-S131 VanDerWaalsContact CG-OG 3.28Å; D128-S131 PolarHBondContact OD1-N 2.89Å; D128-S131 PolarHBondContact OD1-OG 3.47Å; D128-S131 WeakPolarHBondContact OD2-CB 3.41Å; D128-S131 PolarHBondContact OD2-OG 3.33Å | ||
| 132 | W | 98.8 | Very high | 98.4 | Very high | 4 Ų | 4 | 48.9 Ų | 48.9 | 2% | 0.015 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 139.5 | -178.3 | -59.3 | 92.4 | 0 | 0 | 0 | 111.5 | R113 I123 A124 L125 K143 W146 A151 A152 Q155 | R113-W132 HydrophobicContact CG-CH2 4.07Å; R113-W132 HydrophobicContact CG-CZ3 4.09Å; I123-W132 HydrophobicContact CD1-CB 4.17Å; I123-W132 HydrophobicContact CD1-CD2 4.48Å; I123-W132 HydrophobicContact CD1-CE3 4.31Å; I123-W132 HydrophobicContact CD1-CG 4.44Å; I123-W132 HydrophobicContact CG1-CB 4.26Å; I123-W132 HydrophobicContact CG1-CE3 4.14Å; A124-W132 CarbonylContact O-C 3.5Å; A124-W132 WeakPolarHBondContact O-CA 3.48Å; L125-W132 HydrophobicContact CB-CE3 3.92Å; L125-W132 HydrophobicContact CB-CH2 3.99Å; L125-W132 HydrophobicContact CB-CZ3 3.55Å; L125-W132 HydrophobicContact CD1-CD2 4.1Å; L125-W132 HydrophobicContact CD1-CE3 4.24Å; L125-W132 HydrophobicContact CD1-CH2 4.01Å; L125-W132 HydrophobicContact CD1-CZ2 3.87Å; L125-W132 HydrophobicContact CD1-CZ3 4.18Å; L125-W132 HydrophobicContact CG-CH2 4.45Å; L125-W132 HydrophobicContact CG-CZ3 4.42Å; W132-K143 HydrophobicContact CB-CD 4.22Å; W132-K143 HydrophobicContact CB-CG 4.13Å; W132-K143 VanDerWaalsContact O-CE 3.32Å; W132-K143 WeakPolarHBondContact O-CE 3.47Å; W132-K143 PolarHBondContact O-NZ 3.28Å; W132-W146 AromaticContact CD2-CE3 3.85Å; W132-W146 HydrophobicContact CD2-CE3 3.85Å; W132-W146 HydrophobicContact CD2-CZ3 4.35Å; W132-W146 AromaticContact CE2-CE3 3.7Å; W132-W146 AromaticContact CE3-CE3 3.75Å; W132-W146 HydrophobicContact CE3-CE3 3.75Å; W132-W146 AromaticContact CE3-CZ3 3.77Å; W132-W146 HydrophobicContact CE3-CZ3 3.77Å; W132-W146 AromaticContact CH2-CE3 3.42Å; W132-W146 HydrophobicContact CH2-CE3 3.42Å; W132-W146 VanDerWaalsContact CH2-CE3 3.42Å; W132-W146 HydrophobicContact CH2-CH2 4.46Å; W132-W146 AromaticContact CH2-CZ3 3.36Å; W132-W146 HydrophobicContact CH2-CZ3 3.36Å; W132-W146 HydrophobicContact CZ2-CD2 4.42Å; W132-W146 AromaticContact CZ2-CE3 3.5Å; W132-W146 HydrophobicContact CZ2-CE3 3.5Å; W132-W146 VanDerWaalsContact CZ2-CE3 3.5Å; W132-W146 AromaticContact CZ2-CZ3 3.97Å; W132-W146 HydrophobicContact CZ2-CZ3 3.97Å; W132-W146 AromaticContact CZ3-CE3 3.56Å; W132-W146 HydrophobicContact CZ3-CE3 3.56Å; W132-W146 HydrophobicContact CZ3-CH2 4.46Å; W132-W146 AromaticContact CZ3-CZ3 3.26Å; W132-W146 HydrophobicContact CZ3-CZ3 3.26Å; W132-A151 HydrophobicContact CZ2-CB 4.38Å; W132-A152 HydrophobicContact CZ2-CB 4.27Å; W132-Q155 HydrophobicContact CH2-CG 4.21Å; W132-Q155 HydrophobicContact CZ2-CG 4.48Å |
| 133 | T | 98.8 | Very high | 98.4 | Very high | 78 Ų | 78 | 50.5 Ų | 50.5 | 48% | 0.479 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 122.3 | 165.6 | -65.9 | 0 | 0 | 0 | 0 | 108.8 | I123 A124 N126 | 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 2.86Å; A124-T133 PolarHBondContact O-N 2.72Å; N126-T133 PolarHBondContact ND2-OG1 2.9Å; N126-T133 WeakPolarHBondContact OD1-CB 3.27Å; N126-T133 PolarHBondContact OD1-OG1 2.88Å |
| 134 | A | 98.7 | Very high | 98.4 | Very high | 15 Ų | 15 | 57.5 Ų | 57.5 | 12% | 0.124 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 131.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | I123 A139 Q140 K143 | I123-A134 HydrophobicContact CG1-CB 4.47Å; A134-A139 HydrophobicContact CB-CB 3.69Å; A134-Q140 HydrophobicContact CB-CG 4.2Å; A134-K143 HydrophobicContact CB-CB 4.28Å; A134-K143 HydrophobicContact CB-CD 4.22Å |
| 135 | A | 98.6 | Very high | 98.4 | Very high | 62 Ų | 62 | 61.6 Ų | 61.6 | 51% | 0.512 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -73.9 | -31.7 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | D121 Y122 | D121-A135 HydrophobicContact CB-CB 4.41Å; D121-A135 WeakPolarHBondContact O-CB 3.37Å; Y122-A135 WeakPolarHBondContact O-CB 3.2Å; Y122-A135 PolarHBondContact O-N 3.29Å |
| 136 | D | 98.3 | Very high | 98.4 | Very high | 58 Ų | 58 | 64 Ų | 64 | 31% | 0.31 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -150.1 | -175.5 | -178.4 | 66.9 | 27.9 | 0 | 0 | 0 | 112.9 | Y84 A138 A139 Q140 | Y84-D136 VanDerWaalsContact CE1-OD2 3.22Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.49Å; Y84-D136 VanDerWaalsContact OH-CG 3.25Å; Y84-D136 PolarHBondContact OH-OD1 2.8Å; Y84-D136 PolarHBondContact OH-OD2 2.87Å; D136-A138 VanDerWaalsContact C-N 3.29Å; D136-A138 PolarHBondContact O-N 2.95Å; D136-A138 WeakPolarHBondContact OD1-CA 3.46Å; D136-A138 WeakPolarHBondContact OD1-CB 3.44Å; D136-A138 PolarHBondContact OD1-N 3.39Å; D136-A139 PolarHBondContact O-N 2.98Å; D136-A139 PolarHBondContact OD1-N 3.34Å; D136-Q140 VanDerWaalsContact O-CG 3.31Å; D136-Q140 WeakPolarHBondContact O-CG 3.32Å; D136-Q140 PolarHBondContact O-N 3.28Å |
| 137 | M | 97.9 | Very high | 98.4 | Very high | 142 Ų | 142 | 66.2 Ų | 66.2 | 70% | 0.7 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -65 | -27.9 | -178.9 | -68.3 | -59.6 | -59.7 | 0 | 0 | 114.1 | ||
| 138 | A | 97.9 | Very high | 98.4 | Very high | 9 Ų | 9 | 63.8 Ų | 63.8 | 7% | 0.074 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -72 | -46.1 | 175 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y83 Y84 Y122 D136 Q140 I141 | Y83-A138 HydrophobicContact CD2-CB 4.42Å; Y84-A138 HydrophobicContact CD1-CB 4.23Å; Y84-A138 HydrophobicContact CD2-CB 4.43Å; Y84-A138 HydrophobicContact CE1-CB 3.67Å; Y84-A138 HydrophobicContact CE2-CB 3.89Å; Y84-A138 VanDerWaalsContact CZ-CB 3.48Å; Y122-A138 HydrophobicContact CE2-CB 4.4Å; Y122-A138 PolarHBondContact OH-O 2.9Å; D136-A138 VanDerWaalsContact C-N 3.29Å; D136-A138 PolarHBondContact O-N 2.95Å; D136-A138 WeakPolarHBondContact OD1-CA 3.46Å; D136-A138 WeakPolarHBondContact OD1-CB 3.44Å; D136-A138 PolarHBondContact OD1-N 3.39Å; A138-Q140 PolarHBondContact O-N 3.38Å; A138-I141 VanDerWaalsContact O-CB 3.25Å; A138-I141 WeakPolarHBondContact O-CB 3.46Å; A138-I141 PolarHBondContact O-N 2.81Å |
| 139 | A | 98.5 | Very high | 98.4 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.4 | -30.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y122 A134 D136 I141 T142 K143 | Y122-A139 HydrophobicContact CD1-CB 4.5Å; Y122-A139 HydrophobicContact CD2-CB 3.79Å; Y122-A139 HydrophobicContact CE1-CB 4.36Å; Y122-A139 HydrophobicContact CE2-CB 3.64Å; Y122-A139 HydrophobicContact CG-CB 4.21Å; Y122-A139 WeakPolarHBondContact O-CB 3.13Å; A134-A139 HydrophobicContact CB-CB 3.69Å; D136-A139 PolarHBondContact O-N 2.98Å; D136-A139 PolarHBondContact OD1-N 3.34Å; A139-I141 PolarHBondContact O-N 3.19Å; A139-T142 PolarHBondContact O-N 2.86Å; A139-T142 VanDerWaalsContact O-N 3.15Å; A139-K143 PolarHBondContact O-N 3.1Å |
| 140 | Q | 98.7 | Very high | 98.4 | Very high | 58 Ų | 58 | 68 Ų | 68 | 27% | 0.271 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.4 | -29.6 | 172.7 | -69.5 | -70.8 | -18.3 | 0 | 0 | 112.6 | A134 D136 A138 R144 | A134-Q140 HydrophobicContact CB-CG 4.2Å; D136-Q140 VanDerWaalsContact O-CG 3.31Å; D136-Q140 WeakPolarHBondContact O-CG 3.32Å; D136-Q140 PolarHBondContact O-N 3.28Å; A138-Q140 PolarHBondContact O-N 3.38Å; Q140-R144 WeakPolarHBondContact O-CG 3.5Å; Q140-R144 PolarHBondContact O-N 3.38Å; Q140-R144 VanDerWaalsContact O-N 3.11Å |
| 141 | I | 98.4 | Very high | 98.4 | Very high | 61 Ų | 61 | 60.8 Ų | 60.8 | 31% | 0.313 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -67 | -46.7 | 175.1 | -55.1 | 172 | 0 | 0 | 0 | 109.6 | Y83 A138 A139 R144 K145 | Y83-I141 HydrophobicContact CD1-CD1 4.11Å; Y83-I141 HydrophobicContact CD2-CD1 4.46Å; Y83-I141 HydrophobicContact CE1-CD1 4.25Å; Y83-I141 HydrophobicContact CE1-CG2 4.06Å; Y83-I141 HydrophobicContact CE2-CB 4.07Å; Y83-I141 HydrophobicContact CE2-CG2 4.08Å; Y83-I141 HydrophobicContact CG-CD1 4.22Å; Y83-I141 WeakPolarHBondContact OH-CG2 3.28Å; A138-I141 VanDerWaalsContact O-CB 3.25Å; A138-I141 WeakPolarHBondContact O-CB 3.46Å; A138-I141 PolarHBondContact O-N 2.81Å; A139-I141 PolarHBondContact O-N 3.19Å; I141-R144 PolarHBondContact O-N 3Å; I141-K145 PolarHBondContact O-N 3.13Å |
| 142 | T | 98.5 | Very high | 98.4 | Very high | 17 Ų | 17 | 59.4 Ų | 59.4 | 10% | 0.104 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.5 | -45.8 | 174.7 | -68 | 0 | 0 | 0 | 0 | 111.3 | Y122 I123 A139 R144 K145 W146 | Y122-T142 HydrophobicContact CE1-CG2 4.19Å; Y122-T142 PolarHBondContact OH-OG1 3.45Å; I123-T142 HydrophobicContact CD1-CG2 4.08Å; A139-T142 PolarHBondContact O-N 2.86Å; A139-T142 VanDerWaalsContact O-N 3.15Å; T142-R144 VanDerWaalsContact C-N 3.34Å; T142-R144 PolarHBondContact O-N 3.42Å; T142-K145 WeakPolarHBondContact O-CB 3.45Å; T142-K145 PolarHBondContact O-N 3.04Å; T142-K145 VanDerWaalsContact O-N 3.08Å; T142-W146 HydrophobicContact CG2-CD2 3.82Å; T142-W146 HydrophobicContact CG2-CE3 4.32Å; T142-W146 HydrophobicContact CG2-CG 4.14Å; T142-W146 HydrophobicContact CG2-CZ2 4.03Å; T142-W146 PolarHBondContact O-N 3.15Å |
| 143 | K | 98.7 | Very high | 98.4 | Very high | 44 Ų | 44 | 65.2 Ų | 65.2 | 19% | 0.191 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -51.6 | -50.9 | 177.3 | 176 | 170.6 | 174.5 | 170.9 | 0 | 111.9 | I123 W132 A134 A139 K145 W146 E147 | I123-K143 HydrophobicContact CD1-CB 3.87Å; W132-K143 HydrophobicContact CB-CD 4.22Å; W132-K143 HydrophobicContact CB-CG 4.13Å; W132-K143 VanDerWaalsContact O-CE 3.32Å; W132-K143 WeakPolarHBondContact O-CE 3.47Å; W132-K143 PolarHBondContact O-NZ 3.28Å; A134-K143 HydrophobicContact CB-CB 4.28Å; A134-K143 HydrophobicContact CB-CD 4.22Å; A139-K143 PolarHBondContact O-N 3.1Å; K143-K145 VanDerWaalsContact C-N 3.33Å; K143-K145 PolarHBondContact O-N 3.15Å; K143-W146 PolarHBondContact O-N 3.45Å; K143-E147 WeakPolarHBondContact CE-OE1 3.32Å; K143-E147 HydrophobicContact CG-CG 4.33Å; K143-E147 IonicContact NZ-OE1 3.58Å; K143-E147 WeakPolarHBondContact O-CB 3.41Å; K143-E147 WeakPolarHBondContact O-CG 3.25Å; K143-E147 PolarHBondContact O-N 3.46Å |
| 144 | R | 98.7 | Very high | 98.3 | Very high | 151 Ų | 151 | 68.1 Ų | 68.1 | 57% | 0.57 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -59.8 | -40.7 | 178.7 | -69.9 | 170.7 | -169.6 | 156.9 | 4 | 112.7 | Q140 I141 T142 A148 | Q140-R144 WeakPolarHBondContact O-CG 3.5Å; Q140-R144 PolarHBondContact O-N 3.38Å; Q140-R144 VanDerWaalsContact O-N 3.11Å; I141-R144 PolarHBondContact O-N 3Å; T142-R144 VanDerWaalsContact C-N 3.34Å; T142-R144 PolarHBondContact O-N 3.42Å; R144-A148 WeakPolarHBondContact O-CB 3.47Å; R144-A148 PolarHBondContact O-N 3.39Å |
| 145 | K | 98.3 | Very high | 98.3 | Very high | 116 Ų | 116 | 69.6 Ų | 69.6 | 50% | 0.504 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.9 | -44.2 | 177 | -68.9 | -177.6 | -175.6 | -176.7 | 0 | 111.3 | Y83 I141 T142 K143 A148 A149 | Y83-K145 WeakPolarHBondContact OH-CE 3.39Å; Y83-K145 PolarHBondContact OH-NZ 3.09Å; I141-K145 PolarHBondContact O-N 3.13Å; T142-K145 WeakPolarHBondContact O-CB 3.45Å; T142-K145 PolarHBondContact O-N 3.04Å; T142-K145 VanDerWaalsContact O-N 3.08Å; K143-K145 VanDerWaalsContact C-N 3.33Å; K143-K145 PolarHBondContact O-N 3.15Å; K145-A148 PolarHBondContact O-N 2.96Å; K145-A149 VanDerWaalsContact O-CB 3.32Å; K145-A149 WeakPolarHBondContact O-CB 3.35Å; K145-A149 PolarHBondContact O-N 3.47Å |
| 146 | W | 98.4 | Very high | 98.2 | Very high | 64 Ų | 64 | 70.1 Ų | 70.1 | 24% | 0.242 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -69.9 | -36.2 | -179.3 | -77 | 10.6 | 0 | 0 | 0 | 112.8 | I123 W132 T142 K143 A149 H150 A151 | I123-W146 HydrophobicContact CD1-CE3 4.09Å; I123-W146 HydrophobicContact CD1-CZ3 4.33Å; I123-W146 HydrophobicContact CG2-CH2 4.07Å; I123-W146 HydrophobicContact CG2-CZ3 3.77Å; W132-W146 AromaticContact CD2-CE3 3.85Å; W132-W146 HydrophobicContact CD2-CE3 3.85Å; W132-W146 HydrophobicContact CD2-CZ3 4.35Å; W132-W146 AromaticContact CE2-CE3 3.7Å; W132-W146 AromaticContact CE3-CE3 3.75Å; W132-W146 HydrophobicContact CE3-CE3 3.75Å; W132-W146 AromaticContact CE3-CZ3 3.77Å; W132-W146 HydrophobicContact CE3-CZ3 3.77Å; W132-W146 AromaticContact CH2-CE3 3.42Å; W132-W146 HydrophobicContact CH2-CE3 3.42Å; W132-W146 VanDerWaalsContact CH2-CE3 3.42Å; W132-W146 HydrophobicContact CH2-CH2 4.46Å; W132-W146 AromaticContact CH2-CZ3 3.36Å; W132-W146 HydrophobicContact CH2-CZ3 3.36Å; W132-W146 HydrophobicContact CZ2-CD2 4.42Å; W132-W146 AromaticContact CZ2-CE3 3.5Å; W132-W146 HydrophobicContact CZ2-CE3 3.5Å; W132-W146 VanDerWaalsContact CZ2-CE3 3.5Å; W132-W146 AromaticContact CZ2-CZ3 3.97Å; W132-W146 HydrophobicContact CZ2-CZ3 3.97Å; W132-W146 AromaticContact CZ3-CE3 3.56Å; W132-W146 HydrophobicContact CZ3-CE3 3.56Å; W132-W146 HydrophobicContact CZ3-CH2 4.46Å; W132-W146 AromaticContact CZ3-CZ3 3.26Å; W132-W146 HydrophobicContact CZ3-CZ3 3.26Å; T142-W146 HydrophobicContact CG2-CD2 3.82Å; T142-W146 HydrophobicContact CG2-CE3 4.32Å; T142-W146 HydrophobicContact CG2-CG 4.14Å; T142-W146 HydrophobicContact CG2-CZ2 4.03Å; T142-W146 PolarHBondContact O-N 3.15Å; K143-W146 PolarHBondContact O-N 3.45Å; W146-A149 CarbonylContact O-C 3.58Å; W146-A149 PolarHBondContact O-N 3.1Å; W146-H150 PolarHBondContact O-N 3.3Å; W146-H150 VanDerWaalsContact O-N 3.09Å; W146-A151 HydrophobicContact CB-CB 3.87Å; W146-A151 HydrophobicContact CD2-CB 4.48Å; W146-A151 HydrophobicContact CG-CB 4.04Å; W146-A151 WeakPolarHBondContact O-CB 3.35Å; W146-A151 PolarHBondContact O-N 3.38Å |
| 147 | E | 98.5 | Very high | 98.3 | Very high | 93 Ų | 93 | 70.6 Ų | 70.6 | 44% | 0.435 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.1 | -47.7 | 171.7 | -73.9 | 173.7 | 162.9 | 0 | 0 | 111.2 | K143 A149 H150 | K143-E147 WeakPolarHBondContact CE-OE1 3.32Å; K143-E147 HydrophobicContact CG-CG 4.33Å; K143-E147 IonicContact NZ-OE1 3.58Å; K143-E147 WeakPolarHBondContact O-CB 3.41Å; K143-E147 WeakPolarHBondContact O-CG 3.25Å; K143-E147 PolarHBondContact O-N 3.46Å; E147-A149 PolarHBondContact O-N 3Å; E147-H150 PolarHBondContact O-N 3.39Å; E147-H150 VanDerWaalsContact O-N 3.07Å |
| 148 | A | 98.4 | Very high | 98.3 | Very high | 82 Ų | 82 | 65.5 Ų | 65.5 | 68% | 0.678 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -62.6 | -29.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | R144 K145 | R144-A148 WeakPolarHBondContact O-CB 3.47Å; R144-A148 PolarHBondContact O-N 3.39Å; K145-A148 PolarHBondContact O-N 2.96Å |
| 149 | A | 98.1 | Very high | 98.3 | Very high | 61 Ų | 61 | 65.1 Ų | 65.1 | 50% | 0.504 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 2.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | K145 W146 E147 A151 | K145-A149 VanDerWaalsContact O-CB 3.32Å; K145-A149 WeakPolarHBondContact O-CB 3.35Å; K145-A149 PolarHBondContact O-N 3.47Å; W146-A149 CarbonylContact O-C 3.58Å; W146-A149 PolarHBondContact O-N 3.1Å; E147-A149 PolarHBondContact O-N 3Å; A149-A151 PolarHBondContact O-N 3.2Å |
| 150 | H | 97.6 | Very high | 98.3 | Very high | 110 Ų | 110 | 68.9 Ų | 68.9 | 51% | 0.509 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | 33.8 | -175.9 | -63.5 | -94.6 | 0 | 0 | 0 | 113.7 | W146 E147 A152 E153 | W146-H150 PolarHBondContact O-N 3.3Å; W146-H150 VanDerWaalsContact O-N 3.09Å; E147-H150 PolarHBondContact O-N 3.39Å; E147-H150 VanDerWaalsContact O-N 3.07Å; H150-A152 PolarHBondContact O-N 3.46Å; H150-A152 VanDerWaalsContact O-N 3.16Å; H150-E153 HydrophobicContact CB-CG 4.42Å; H150-E153 IonicContact CE1-OE1 3.98Å; H150-E153 IonicContact CG-OE1 3.51Å; H150-E153 IonicContact ND1-OE1 3.86Å; H150-E153 PolarHBondContact ND1-OE1 3.5Å; H150-E153 WeakPolarHBondContact O-CB 3.41Å; H150-E153 PolarHBondContact O-N 2.87Å |
| 151 | A | 97.9 | Very high | 98.3 | Very high | 15 Ų | 15 | 67.1 Ų | 67.1 | 12% | 0.124 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60.9 | -30.5 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | W132 W146 A149 E153 Q154 Q155 | W132-A151 HydrophobicContact CZ2-CB 4.38Å; W146-A151 HydrophobicContact CB-CB 3.87Å; W146-A151 HydrophobicContact CD2-CB 4.48Å; W146-A151 HydrophobicContact CG-CB 4.04Å; W146-A151 WeakPolarHBondContact O-CB 3.35Å; W146-A151 PolarHBondContact O-N 3.38Å; A149-A151 PolarHBondContact O-N 3.2Å; A151-E153 VanDerWaalsContact C-N 3.28Å; A151-E153 PolarHBondContact O-N 3.49Å; A151-Q154 PolarHBondContact O-N 3.29Å; A151-Q155 WeakPolarHBondContact O-CG 3.32Å; A151-Q155 PolarHBondContact O-N 3.13Å; A151-Q155 VanDerWaalsContact O-N 3.14Å |
| 152 | A | 98.4 | Very high | 98.3 | Very high | 8 Ų | 8 | 71 Ų | 71 | 7% | 0.066 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.1 | -35.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L125 R130 W132 H150 Q154 Q155 R156 | L125-A152 HydrophobicContact CD1-CB 3.96Å; R130-A152 WeakPolarHBondContact O-CB 3.36Å; W132-A152 HydrophobicContact CZ2-CB 4.27Å; H150-A152 PolarHBondContact O-N 3.46Å; H150-A152 VanDerWaalsContact O-N 3.16Å; A152-Q154 VanDerWaalsContact C-N 3.34Å; A152-Q154 PolarHBondContact O-N 2.94Å; A152-Q155 PolarHBondContact O-N 3.3Å; A152-R156 VanDerWaalsContact O-CB 3.26Å; A152-R156 WeakPolarHBondContact O-CB 3.47Å; A152-R156 PolarHBondContact O-N 2.78Å |
| 153 | E | 98.1 | Very high | 98.3 | Very high | 125 Ų | 125 | 70.1 Ų | 70.1 | 58% | 0.584 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -66 | -39 | 180 | -63.5 | 174.7 | -158.1 | 0 | 0 | 111.4 | H150 A151 A157 | H150-E153 HydrophobicContact CB-CG 4.42Å; H150-E153 IonicContact CE1-OE1 3.98Å; H150-E153 IonicContact CG-OE1 3.51Å; H150-E153 IonicContact ND1-OE1 3.86Å; H150-E153 PolarHBondContact ND1-OE1 3.5Å; H150-E153 WeakPolarHBondContact O-CB 3.41Å; H150-E153 PolarHBondContact O-N 2.87Å; A151-E153 VanDerWaalsContact C-N 3.28Å; A151-E153 PolarHBondContact O-N 3.49Å; E153-A157 WeakPolarHBondContact O-CB 3.27Å; E153-A157 PolarHBondContact O-N 2.86Å |
| 154 | Q | 97.1 | Very high | 98.3 | Very high | 139 Ų | 139 | 68.3 Ų | 68.3 | 65% | 0.65 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -66.9 | -43.8 | 175.8 | -62.2 | -179.7 | 1.9 | 0 | 0 | 111.7 | A151 A152 A157 Y158 | A151-Q154 PolarHBondContact O-N 3.29Å; A152-Q154 VanDerWaalsContact C-N 3.34Å; A152-Q154 PolarHBondContact O-N 2.94Å; Q154-A157 PolarHBondContact O-N 3.07Å; Q154-Y158 PolarHBondContact O-N 2.86Å; Q154-Y158 VanDerWaalsContact O-N 3.13Å |
| 155 | Q | 98.2 | Very high | 98.3 | Very high | 47 Ų | 47 | 67 Ų | 67 | 22% | 0.22 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.7 | -46.1 | 176.4 | -66 | -55.9 | -39.5 | 0 | 0 | 110.8 | L125 W132 A151 A152 A157 Y158 L159 | L125-Q155 HydrophobicContact CD2-CB 3.92Å; W132-Q155 HydrophobicContact CH2-CG 4.21Å; W132-Q155 HydrophobicContact CZ2-CG 4.48Å; A151-Q155 WeakPolarHBondContact O-CG 3.32Å; A151-Q155 PolarHBondContact O-N 3.13Å; A151-Q155 VanDerWaalsContact O-N 3.14Å; A152-Q155 PolarHBondContact O-N 3.3Å; Q155-A157 PolarHBondContact O-N 3.24Å; Q155-Y158 PolarHBondContact O-N 2.91Å; Q155-L159 WeakPolarHBondContact O-CB 3.26Å; Q155-L159 WeakPolarHBondContact O-CG 3.46Å; Q155-L159 PolarHBondContact O-N 3.4Å |
| 156 | R | 98.5 | Very high | 98.3 | Very high | 72 Ų | 72 | 65.3 Ų | 65.3 | 27% | 0.272 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -58.1 | -46.5 | 176.7 | -175.5 | 173.1 | 179.9 | -135.6 | -13.7 | 112.3 | L129 A152 Y158 L159 E160 | L129-R156 HydrophobicContact CB-CB 4.02Å; L129-R156 HydrophobicContact CB-CG 3.87Å; L129-R156 HydrophobicContact CD1-CG 4.06Å; A152-R156 VanDerWaalsContact O-CB 3.26Å; A152-R156 WeakPolarHBondContact O-CB 3.47Å; A152-R156 PolarHBondContact O-N 2.78Å; R156-Y158 VanDerWaalsContact C-N 3.29Å; R156-Y158 PolarHBondContact O-N 3.26Å; R156-L159 PolarHBondContact O-N 2.92Å; R156-E160 HydrophobicContact CG-CG 4.14Å; R156-E160 IonicContact CZ-OE1 2.71Å; R156-E160 IonicContact CZ-OE2 3.83Å; R156-E160 VanDerWaalsContact NE-CD 3.32Å; R156-E160 IonicContact NE-OE1 3.43Å; R156-E160 PolarHBondContact NE-OE1 2.94Å; R156-E160 IonicContact NE-OE2 3.5Å; R156-E160 PolarHBondContact NE-OE2 2.99Å; R156-E160 IonicContact NH2-OE1 2.69Å; R156-E160 PolarHBondContact NH2-OE1 2.84Å; R156-E160 IonicContact NH2-OE2 2.94Å; R156-E160 PolarHBondContact NH2-OE2 2.99Å; R156-E160 WeakPolarHBondContact O-CB 3.31Å; R156-E160 PolarHBondContact O-N 3.3Å |
| 157 | A | 98.5 | Very high | 98.3 | Very high | 68 Ų | 68 | 62.3 Ų | 62.3 | 56% | 0.562 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -60.5 | -37.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | E153 Q154 Q155 G161 | E153-A157 WeakPolarHBondContact O-CB 3.27Å; E153-A157 PolarHBondContact O-N 2.86Å; Q154-A157 PolarHBondContact O-N 3.07Å; Q155-A157 PolarHBondContact O-N 3.24Å; A157-G161 PolarHBondContact O-N 3.22Å |
| 158 | Y | 98.4 | Very high | 98.3 | Very high | 36 Ų | 36 | 63.5 Ų | 63.5 | 14% | 0.141 | 32% | 0.323 | C | S | . | . | I | π-helix | trans | -68.6 | -48.4 | 173 | 171.7 | -98.2 | 0 | 0 | 0 | 112.2 | Y98 Q154 Q155 R156 G161 R162 C163 | Y98-Y158 HydrophobicContact CD2-CD1 4.5Å; Y98-Y158 AromaticContact CD2-CE1 3.76Å; Y98-Y158 HydrophobicContact CD2-CE1 3.76Å; Y98-Y158 AromaticContact CE2-CE1 3.62Å; Y98-Y158 HydrophobicContact CE2-CE1 3.62Å; Y98-Y158 AromaticContact CE2-CZ 3.89Å; Q154-Y158 PolarHBondContact O-N 2.86Å; Q154-Y158 VanDerWaalsContact O-N 3.13Å; Q155-Y158 PolarHBondContact O-N 2.91Å; R156-Y158 VanDerWaalsContact C-N 3.29Å; R156-Y158 PolarHBondContact O-N 3.26Å; Y158-G161 CarbonylContact O-C 3.59Å; Y158-G161 PolarHBondContact O-N 2.84Å; Y158-R162 HydrophobicContact CD2-CB 3.86Å; Y158-R162 HydrophobicContact CE2-CB 4.07Å; Y158-R162 PolarHBondContact O-N 2.81Å; Y158-R162 VanDerWaalsContact O-N 3.13Å; Y158-C163 HydrophobicContact CD1-CB 4.27Å; Y158-C163 HydrophobicContact CE1-CB 3.83Å; Y158-C163 WeakPolarHBondContact O-CB 3.4Å; Y158-C163 PolarHBondContact O-N 3.01Å |
| 159 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 31% | 0.312 | C | S | . | . | I | π-helix | trans | -68.3 | -43 | -173 | -70.1 | 171.7 | 0 | 0 | 0 | 112.8 | G99 F108 L125 L129 Q155 R156 V164 | G99-L159 WeakPolarHBondContact O-CD2 3.42Å; F108-L159 HydrophobicContact CE2-CB 4.39Å; F108-L159 WeakPolarHBondContact CE2-O 3.4Å; L125-L159 HydrophobicContact CD2-CD1 3.95Å; L129-L159 HydrophobicContact CD2-CD1 3.96Å; Q155-L159 WeakPolarHBondContact O-CB 3.26Å; Q155-L159 WeakPolarHBondContact O-CG 3.46Å; Q155-L159 PolarHBondContact O-N 3.4Å; R156-L159 PolarHBondContact O-N 2.92Å; L159-V164 WeakPolarHBondContact O-CG2 3.35Å |
| 160 | E | 98.5 | Very high | 98.3 | Very high | 80 Ų | 80 | 62.3 Ų | 62.3 | 37% | 0.374 | 29% | 0.288 | S | S | . | . | I | π-helix | trans | -78.7 | -22.8 | 178 | -67.5 | -178.7 | 170 | 0 | 0 | 112.6 | F108 L129 R156 | F108-E160 HydrophobicContact CD1-CG 4.31Å; F108-E160 HydrophobicContact CE1-CG 4.16Å; F108-E160 HydrophobicContact CZ-CG 4.25Å; L129-E160 HydrophobicContact CD1-CG 4.03Å; R156-E160 HydrophobicContact CG-CG 4.14Å; R156-E160 IonicContact CZ-OE1 2.71Å; R156-E160 IonicContact CZ-OE2 3.83Å; R156-E160 VanDerWaalsContact NE-CD 3.32Å; R156-E160 IonicContact NE-OE1 3.43Å; R156-E160 PolarHBondContact NE-OE1 2.94Å; R156-E160 IonicContact NE-OE2 3.5Å; R156-E160 PolarHBondContact NE-OE2 2.99Å; R156-E160 IonicContact NH2-OE1 2.69Å; R156-E160 PolarHBondContact NH2-OE1 2.84Å; R156-E160 IonicContact NH2-OE2 2.94Å; R156-E160 PolarHBondContact NH2-OE2 2.99Å; R156-E160 WeakPolarHBondContact O-CB 3.31Å; R156-E160 PolarHBondContact O-N 3.3Å |
| 161 | G | 98.4 | Very high | 98.3 | Very high | 20 Ų | 20 | 57.8 Ų | 57.8 | 21% | 0.206 | 27% | 0.268 | C | S | . | . | I | π-helix | trans | -106.5 | -96.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | A157 Y158 C163 V164 E165 | A157-G161 PolarHBondContact O-N 3.22Å; Y158-G161 CarbonylContact O-C 3.59Å; Y158-G161 PolarHBondContact O-N 2.84Å; G161-C163 VanDerWaalsContact C-N 3.27Å; G161-C163 PolarHBondContact O-N 2.75Å; G161-C163 VanDerWaalsContact O-N 3.15Å; G161-V164 PolarHBondContact O-N 2.88Å; G161-E165 WeakPolarHBondContact O-CG 3.26Å; G161-E165 PolarHBondContact O-N 2.86Å |
| 162 | R | 98.1 | Very high | 98.3 | Very high | 142 Ų | 142 | 63 Ų | 63 | 54% | 0.536 | 29% | 0.29 | S | S | . | . | I | π-helix | trans | -53.1 | -40.3 | -170.9 | -70.7 | -166.8 | -67 | 163.4 | 1.3 | 113.6 | Y158 V164 E165 W166 | Y158-R162 HydrophobicContact CD2-CB 3.86Å; Y158-R162 HydrophobicContact CE2-CB 4.07Å; Y158-R162 PolarHBondContact O-N 2.81Å; Y158-R162 VanDerWaalsContact O-N 3.13Å; R162-V164 PolarHBondContact O-N 2.82Å; R162-E165 PolarHBondContact O-N 2.96Å; R162-W166 WeakPolarHBondContact O-CB 3.15Å; R162-W166 PolarHBondContact O-N 3.35Å |
| 163 | C | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.9 | -48.5 | 179.4 | -174 | 0 | 0 | 0 | 0 | 111.3 | M4 C100 Y158 G161 L167 | M4-C163 HydrophobicContact CE-CB 4.16Å; M4-C163 WeakPolarHBondContact CE-O 3.42Å; M4-C163 VanDerWaalsContact CE-SG 3.52Å; C100-C163 HydrophobicContact CB-CB 3.89Å; C100-C163 WeakPolarHBondContact CB-SG 3.37Å; C100-C163 PolarHBondContact N-SG 2.88Å; C100-C163 WeakPolarHBondContact SG-CB 3.44Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 2.86Å; Y158-C163 HydrophobicContact CD1-CB 4.27Å; Y158-C163 HydrophobicContact CE1-CB 3.83Å; Y158-C163 WeakPolarHBondContact O-CB 3.4Å; Y158-C163 PolarHBondContact O-N 3.01Å; G161-C163 VanDerWaalsContact C-N 3.27Å; G161-C163 PolarHBondContact O-N 2.75Å; G161-C163 VanDerWaalsContact O-N 3.15Å; C163-L167 VanDerWaalsContact O-CB 3.31Å; C163-L167 WeakPolarHBondContact O-CB 3.35Å; C163-L167 PolarHBondContact O-N 3.49Å |
| 164 | V | 98.7 | Very high | 98.2 | Very high | 6 Ų | 6 | 59.3 Ų | 59.3 | 4% | 0.036 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67 | -41.5 | 179.5 | 173.9 | 0 | 0 | 0 | 0 | 111.4 | C100 V102 F108 L159 G161 R162 L167 R168 | C100-V164 HydrophobicContact CB-CG2 4.38Å; V102-V164 HydrophobicContact CG1-CB 4.42Å; V102-V164 HydrophobicContact CG1-CG1 3.95Å; V102-V164 HydrophobicContact CG1-CG2 4.01Å; F108-V164 HydrophobicContact CB-CG2 4.08Å; F108-V164 HydrophobicContact CD2-CG2 3.67Å; F108-V164 HydrophobicContact CG-CG2 4.36Å; L159-V164 WeakPolarHBondContact O-CG2 3.35Å; G161-V164 PolarHBondContact O-N 2.88Å; R162-V164 PolarHBondContact O-N 2.82Å; V164-L167 PolarHBondContact O-N 2.91Å; V164-R168 VanDerWaalsContact O-CG 3.32Å; V164-R168 WeakPolarHBondContact O-CG 3.49Å; V164-R168 PolarHBondContact O-N 2.87Å |
| 165 | E | 98.5 | Very high | 98.1 | Very high | 123 Ų | 123 | 57.9 Ų | 57.9 | 58% | 0.575 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -60 | -48.8 | 177.8 | -70.8 | 171.1 | 176.8 | 0 | 0 | 111.8 | G161 R162 R168 R169 | G161-E165 WeakPolarHBondContact O-CG 3.26Å; G161-E165 PolarHBondContact O-N 2.86Å; R162-E165 PolarHBondContact O-N 2.96Å; E165-R168 PolarHBondContact O-N 2.9Å; E165-R169 PolarHBondContact O-N 3.27Å; E165-R169 VanDerWaalsContact O-N 3.09Å |
| 166 | W | 98.5 | Very high | 97.9 | Very high | 81 Ų | 81 | 64.4 Ų | 64.4 | 31% | 0.307 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -67.8 | -41.8 | 178.1 | -81.8 | 108.1 | 0 | 0 | 0 | 112.4 | M4 Y58 R162 R168 R169 Y170 | M4-W166 HydrophobicContact CE-CB 4.09Å; M4-W166 HydrophobicContact SD-CB 4.45Å; Y58-W166 AromaticContact CD2-CH2 3.53Å; Y58-W166 HydrophobicContact CD2-CH2 3.53Å; Y58-W166 HydrophobicContact CD2-CZ2 4.05Å; Y58-W166 AromaticContact CD2-CZ3 3.96Å; Y58-W166 HydrophobicContact CD2-CZ3 3.96Å; Y58-W166 HydrophobicContact CE2-CE3 4.42Å; Y58-W166 AromaticContact CE2-CH2 3.93Å; Y58-W166 HydrophobicContact CE2-CH2 3.93Å; Y58-W166 HydrophobicContact CE2-CZ2 4.36Å; Y58-W166 AromaticContact CE2-CZ3 3.96Å; Y58-W166 HydrophobicContact CE2-CZ3 3.96Å; R162-W166 WeakPolarHBondContact O-CB 3.15Å; R162-W166 PolarHBondContact O-N 3.35Å; W166-R168 VanDerWaalsContact C-N 3.32Å; W166-R168 PolarHBondContact O-N 3.2Å; W166-R169 WeakPolarHBondContact O-CB 3.44Å; W166-R169 PolarHBondContact O-N 3.12Å; W166-R169 VanDerWaalsContact O-N 3.15Å; W166-Y170 HydrophobicContact CB-CE2 4.07Å; W166-Y170 HydrophobicContact CD2-CE1 4.47Å; W166-Y170 HydrophobicContact CE3-CD1 4.32Å; W166-Y170 AromaticContact CE3-CE1 3.39Å; W166-Y170 HydrophobicContact CE3-CE1 3.39Å; W166-Y170 HydrophobicContact CE3-CE2 4.42Å; W166-Y170 AromaticContact CE3-CZ 3.45Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.45Å; W166-Y170 VanDerWaalsContact CE3-OH 3.22Å; W166-Y170 AromaticContact CZ3-CE1 3.81Å; W166-Y170 HydrophobicContact CZ3-CE1 3.81Å; W166-Y170 WeakPolarHBondContact O-CD2 3.48Å; W166-Y170 PolarHBondContact O-N 3.08Å |
| 167 | L | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -57.9 | -45.2 | 175.6 | 174.8 | 52.4 | 0 | 0 | 0 | 111.3 | H2 M4 V27 V102 C163 V164 R169 Y170 L171 | H2-L167 HydrophobicContact CB-CD1 4.37Å; M4-L167 HydrophobicContact CB-CB 4.05Å; M4-L167 HydrophobicContact CB-CD1 4.02Å; M4-L167 HydrophobicContact CB-CD2 4.08Å; M4-L167 HydrophobicContact CB-CG 4.25Å; M4-L167 HydrophobicContact CE-CB 4.43Å; M4-L167 HydrophobicContact SD-CB 4.4Å; V27-L167 HydrophobicContact CG1-CD1 3.6Å; V27-L167 HydrophobicContact CG2-CD1 4.22Å; V102-L167 HydrophobicContact CB-CD2 4.38Å; V102-L167 HydrophobicContact CG1-CD2 3.97Å; V102-L167 HydrophobicContact CG2-CD2 3.62Å; V102-L167 HydrophobicContact CG2-CG 4.22Å; C163-L167 VanDerWaalsContact O-CB 3.31Å; C163-L167 WeakPolarHBondContact O-CB 3.35Å; C163-L167 PolarHBondContact O-N 3.49Å; V164-L167 PolarHBondContact O-N 2.91Å; L167-R169 PolarHBondContact O-N 3.34Å; L167-Y170 PolarHBondContact O-N 2.78Å; L167-L171 HydrophobicContact CD1-CD1 3.89Å; L167-L171 HydrophobicContact CD1-CD2 4.43Å; L167-L171 HydrophobicContact CD1-CG 3.91Å; L167-L171 HydrophobicContact CG-CD1 4.03Å; L167-L171 HydrophobicContact CG-CG 4.49Å; L167-L171 VanDerWaalsContact O-CG 3.26Å; L167-L171 WeakPolarHBondContact O-CG 3.45Å; L167-L171 PolarHBondContact O-N 3.27Å |
| 168 | R | 98.3 | Very high | 97.4 | Very high | 118 Ų | 118 | 60.1 Ų | 60.1 | 45% | 0.445 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -60.9 | -43.4 | 175.6 | -72.3 | 174.3 | -175.9 | 172.7 | 3 | 112.4 | G106 V164 E165 W166 Y170 L171 E172 | G106-R168 PolarHBondContact O-NE 3.22Å; G106-R168 PolarHBondContact O-NH2 3.11Å; V164-R168 VanDerWaalsContact O-CG 3.32Å; V164-R168 WeakPolarHBondContact O-CG 3.49Å; V164-R168 PolarHBondContact O-N 2.87Å; E165-R168 PolarHBondContact O-N 2.9Å; W166-R168 VanDerWaalsContact C-N 3.32Å; W166-R168 PolarHBondContact O-N 3.2Å; R168-Y170 VanDerWaalsContact C-N 3.34Å; R168-Y170 PolarHBondContact O-N 3.04Å; R168-L171 PolarHBondContact O-N 2.97Å; R168-E172 PolarHBondContact O-N 2.84Å; R168-E172 VanDerWaalsContact O-N 3.1Å |
| 169 | R | 98.1 | Very high | 97.1 | Very high | 117 Ų | 117 | 62.4 Ų | 62.4 | 44% | 0.442 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.2 | -45 | 176.1 | 177.6 | 178.3 | 171.9 | 101 | -8.1 | 111.1 | E54 E165 W166 L167 E172 N173 | E54-R169 IonicContact OE1-CZ 3.96Å; E54-R169 IonicContact OE1-NE 3.81Å; E54-R169 PolarHBondContact OE1-NE 2.83Å; E54-R169 IonicContact OE1-NH2 3.72Å; E54-R169 PolarHBondContact OE1-NH2 2.87Å; E54-R169 VanDerWaalsContact OE1-NH2 3.16Å; E54-R169 IonicContact OE2-CZ 3.28Å; E54-R169 IonicContact OE2-NE 2.71Å; E54-R169 PolarHBondContact OE2-NE 3.5Å; E54-R169 IonicContact OE2-NH2 2.94Å; E54-R169 PolarHBondContact OE2-NH2 3.44Å; E165-R169 PolarHBondContact O-N 3.27Å; E165-R169 VanDerWaalsContact O-N 3.09Å; W166-R169 WeakPolarHBondContact O-CB 3.44Å; W166-R169 PolarHBondContact O-N 3.12Å; W166-R169 VanDerWaalsContact O-N 3.15Å; L167-R169 PolarHBondContact O-N 3.34Å; R169-E172 PolarHBondContact O-N 3.48Å; R169-N173 VanDerWaalsContact O-CB 3.27Å; R169-N173 WeakPolarHBondContact O-CB 3.32Å; R169-N173 PolarHBondContact O-N 2.61Å; R169-N173 PolarHBondContact O-OD1 2.97Å |
| 170 | Y | 98.4 | Very high | 96.9 | Very high | 2 Ų | 2 | 66 Ų | 66 | 1% | 0.008 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.4 | -40.3 | 178.8 | -61.1 | -25.3 | 0 | 0 | 0 | 112.4 | M4 V27 F32 W50 I51 Y58 W166 L167 R168 E172 N173 G174 L178 | M4-Y170 HydrophobicContact SD-CD2 3.69Å; M4-Y170 HydrophobicContact SD-CE2 3.51Å; M4-Y170 VanDerWaalsContact SD-CE2 3.51Å; V27-Y170 HydrophobicContact CG2-CD2 3.93Å; V27-Y170 HydrophobicContact CG2-CG 4.49Å; F32-Y170 HydrophobicContact CD2-CE2 4.47Å; F32-Y170 HydrophobicContact CE2-CD2 4.37Å; F32-Y170 AromaticContact CE2-CE2 3.71Å; F32-Y170 HydrophobicContact CE2-CE2 3.71Å; F32-Y170 HydrophobicContact CZ-CD2 4.41Å; F32-Y170 AromaticContact CZ-CE2 3.84Å; F32-Y170 HydrophobicContact CZ-CE2 3.84Å; W50-Y170 HydrophobicContact CE3-CD1 4.3Å; W50-Y170 HydrophobicContact CE3-CG 4.45Å; W50-Y170 HydrophobicContact CH2-CD2 4.31Å; W50-Y170 HydrophobicContact CH2-CG 4.03Å; W50-Y170 AromaticContact CZ3-CD1 3.62Å; W50-Y170 HydrophobicContact CZ3-CD1 3.62Å; W50-Y170 HydrophobicContact CZ3-CD2 4.15Å; W50-Y170 HydrophobicContact CZ3-CE1 4.33Å; W50-Y170 AromaticContact CZ3-CG 3.53Å; W50-Y170 HydrophobicContact CZ3-CG 3.53Å; I51-Y170 HydrophobicContact CD1-CD1 3.91Å; I51-Y170 HydrophobicContact CD1-CE1 3.31Å; Y58-Y170 VanDerWaalsContact CE2-OH 3.24Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.41Å; Y58-Y170 PolarHBondContact OH-OH 3.28Å; W166-Y170 HydrophobicContact CB-CE2 4.07Å; W166-Y170 HydrophobicContact CD2-CE1 4.47Å; W166-Y170 HydrophobicContact CE3-CD1 4.32Å; W166-Y170 AromaticContact CE3-CE1 3.39Å; W166-Y170 HydrophobicContact CE3-CE1 3.39Å; W166-Y170 HydrophobicContact CE3-CE2 4.42Å; W166-Y170 AromaticContact CE3-CZ 3.45Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.45Å; W166-Y170 VanDerWaalsContact CE3-OH 3.22Å; W166-Y170 AromaticContact CZ3-CE1 3.81Å; W166-Y170 HydrophobicContact CZ3-CE1 3.81Å; W166-Y170 WeakPolarHBondContact O-CD2 3.48Å; W166-Y170 PolarHBondContact O-N 3.08Å; L167-Y170 PolarHBondContact O-N 2.78Å; R168-Y170 VanDerWaalsContact C-N 3.34Å; R168-Y170 PolarHBondContact O-N 3.04Å; Y170-E172 VanDerWaalsContact C-N 3.28Å; Y170-E172 PolarHBondContact O-N 3.35Å; Y170-N173 PolarHBondContact O-N 3.36Å; Y170-G174 WeakPolarHBondContact O-CA 3.37Å; Y170-G174 PolarHBondContact O-N 2.95Å; Y170-L178 WeakPolarHBondContact O-CD1 3.35Å |
| 171 | L | 98.1 | Very high | 96.7 | Very high | 14 Ų | 14 | 64.9 Ų | 64.9 | 7% | 0.073 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.9 | -34 | 175.6 | -71 | 169 | 0 | 0 | 0 | 112.9 | H2 V27 L167 R168 K175 L178 Q179 | H2-L171 HydrophobicContact CB-CD1 3.71Å; H2-L171 HydrophobicContact CB-CD2 3.97Å; H2-L171 HydrophobicContact CB-CG 4.41Å; H2-L171 VanDerWaalsContact CG-CD2 3.47Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.35Å; V27-L171 HydrophobicContact CG1-CD2 4.08Å; L167-L171 HydrophobicContact CD1-CD1 3.89Å; L167-L171 HydrophobicContact CD1-CD2 4.43Å; L167-L171 HydrophobicContact CD1-CG 3.91Å; L167-L171 HydrophobicContact CG-CD1 4.03Å; L167-L171 HydrophobicContact CG-CG 4.49Å; L167-L171 VanDerWaalsContact O-CG 3.26Å; L167-L171 WeakPolarHBondContact O-CG 3.45Å; L167-L171 PolarHBondContact O-N 3.27Å; R168-L171 PolarHBondContact O-N 2.97Å; L171-K175 VanDerWaalsContact O-CA 3.26Å; L171-K175 WeakPolarHBondContact O-CA 3.37Å; L171-K175 WeakPolarHBondContact O-CB 3.37Å; L171-K175 PolarHBondContact O-N 3.49Å; L171-L178 HydrophobicContact CD2-CB 4.11Å; L171-L178 HydrophobicContact CD2-CD1 4.39Å; L171-Q179 PolarHBondContact O-NE2 2.97Å |
| 172 | E | 97.6 | Very high | 96.7 | Very high | 126 Ų | 126 | 66.2 Ų | 66.2 | 59% | 0.589 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -73.6 | -50.2 | 174 | -172.5 | 59.5 | -152.2 | 0 | 0 | 111 | R168 R169 Y170 G174 K175 | R168-E172 PolarHBondContact O-N 2.84Å; R168-E172 VanDerWaalsContact O-N 3.1Å; R169-E172 PolarHBondContact O-N 3.48Å; Y170-E172 VanDerWaalsContact C-N 3.28Å; Y170-E172 PolarHBondContact O-N 3.35Å; E172-G174 VanDerWaalsContact C-N 3.3Å; E172-G174 PolarHBondContact O-N 3.23Å; E172-K175 WeakPolarHBondContact O-CB 3.29Å; E172-K175 PolarHBondContact O-N 2.9Å |
| 173 | N | 97.6 | Very high | 96.7 | Very high | 50 Ų | 50 | 62.6 Ų | 62.6 | 27% | 0.267 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -59 | -39.4 | 179.6 | -78 | 0.9 | 0 | 0 | 0 | 113.1 | Q53 E54 R169 Y170 | Q53-N173 PolarHBondContact NE2-ND2 3.34Å; E54-N173 PolarHBondContact OE1-ND2 3.34Å; R169-N173 VanDerWaalsContact O-CB 3.27Å; R169-N173 WeakPolarHBondContact O-CB 3.32Å; R169-N173 PolarHBondContact O-N 2.61Å; R169-N173 PolarHBondContact O-OD1 2.97Å; Y170-N173 PolarHBondContact O-N 3.36Å |
| 174 | G | 96.9 | Very high | 96.7 | Very high | 4 Ų | 4 | 63 Ų | 63 | 4% | 0.041 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | 17 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y170 E172 E176 T177 L178 | Y170-G174 WeakPolarHBondContact O-CA 3.37Å; Y170-G174 PolarHBondContact O-N 2.95Å; E172-G174 VanDerWaalsContact C-N 3.3Å; E172-G174 PolarHBondContact O-N 3.23Å; G174-E176 PolarHBondContact O-N 3.25Å; G174-T177 PolarHBondContact O-N 2.76Å; G174-T177 PolarHBondContact O-OG1 3.14Å; G174-L178 PolarHBondContact O-N 2.78Å |
| 175 | K | 95.4 | Very high | 96.7 | Very high | 110 Ų | 110 | 70.2 Ų | 70.2 | 48% | 0.478 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -47.6 | -41.9 | -170.8 | -178.9 | 172.2 | -175.2 | 177.2 | 0 | 114.6 | L171 E172 T177 Q179 | L171-K175 VanDerWaalsContact O-CA 3.26Å; L171-K175 WeakPolarHBondContact O-CA 3.37Å; L171-K175 WeakPolarHBondContact O-CB 3.37Å; L171-K175 PolarHBondContact O-N 3.49Å; E172-K175 WeakPolarHBondContact O-CB 3.29Å; E172-K175 PolarHBondContact O-N 2.9Å; K175-T177 PolarHBondContact O-N 3.24Å; K175-Q179 HydrophobicContact CG-CB 4.45Å; K175-Q179 HydrophobicContact CG-CG 4.39Å; K175-Q179 WeakPolarHBondContact O-CB 3.41Å; K175-Q179 PolarHBondContact O-N 2.84Å |
| 176 | E | 92.8 | Very high | 96.7 | Very high | 183 Ų | 183 | 66.1 Ų | 66.1 | 86% | 0.855 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -63.5 | -24.5 | -180 | -63.3 | -175.1 | 168.5 | 0 | 0 | 113.8 | G174 | G174-E176 PolarHBondContact O-N 3.25Å |
| 177 | T | 92.8 | Very high | 96.6 | Very high | 47 Ų | 47 | 66 Ų | 66 | 29% | 0.288 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -110.6 | -39.5 | -176.7 | 52.1 | 0 | 0 | 0 | 0 | 113.1 | G174 K175 R180 | G174-T177 PolarHBondContact O-N 2.76Å; G174-T177 PolarHBondContact O-OG1 3.14Å; K175-T177 PolarHBondContact O-N 3.24Å; T177-R180 VanDerWaalsContact O-CG 3.27Å; T177-R180 WeakPolarHBondContact O-CG 3.48Å |
| 178 | L | 94.3 | Very high | 96.5 | Very high | 3 Ų | 3 | 67.5 Ų | 67.5 | 2% | 0.016 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -84.2 | -28.6 | -175.6 | -62.8 | 174.4 | 0 | 0 | 0 | 113.1 | V27 T30 W50 Y170 L171 G174 | V27-L178 HydrophobicContact CB-CD1 4.27Å; V27-L178 HydrophobicContact CB-CD2 4.05Å; V27-L178 HydrophobicContact CG1-CD1 3.92Å; V27-L178 HydrophobicContact CG1-CD2 4.03Å; V27-L178 HydrophobicContact CG1-CG 4.48Å; T30-L178 HydrophobicContact CG2-CD2 3.98Å; W50-L178 HydrophobicContact CD2-CD1 4.39Å; W50-L178 HydrophobicContact CH2-CD1 4.36Å; W50-L178 HydrophobicContact CZ2-CD1 3.81Å; W50-L178 HydrophobicContact CZ2-CD2 4.1Å; W50-L178 HydrophobicContact CZ2-CG 4.37Å; Y170-L178 WeakPolarHBondContact O-CD1 3.35Å; L171-L178 HydrophobicContact CD2-CB 4.11Å; L171-L178 HydrophobicContact CD2-CD1 4.39Å; G174-L178 PolarHBondContact O-N 2.78Å |
| 179 | Q | 92.9 | Very high | 96.5 | Very high | 85 Ų | 85 | 63.4 Ų | 63.4 | 40% | 0.397 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -101.3 | 13 | 177.2 | -55.7 | -179 | 28.7 | 0 | 0 | 112 | L171 K175 | L171-Q179 PolarHBondContact O-NE2 2.97Å; K175-Q179 HydrophobicContact CG-CB 4.45Å; K175-Q179 HydrophobicContact CG-CG 4.39Å; K175-Q179 WeakPolarHBondContact O-CB 3.41Å; K175-Q179 PolarHBondContact O-N 2.84Å |
| 180 | R | 93.6 | Very high | 96.4 | Very high | 76 Ų | 76 | 60.2 Ų | 60.2 | 29% | 0.287 | 30% | 0.297 | S | S | . | . | trans | -79.6 | 152.6 | 172.2 | 86.3 | -173.2 | 169.4 | 179.6 | 4.4 | 109.7 | T177 D182 Y208 | T177-R180 VanDerWaalsContact O-CG 3.27Å; T177-R180 WeakPolarHBondContact O-CG 3.48Å; R180-D182 WeakPolarHBondContact CD-OD2 3.46Å; R180-D182 IonicContact CZ-OD2 2.77Å; R180-D182 IonicContact NE-OD2 3.61Å; R180-D182 PolarHBondContact NE-OD2 2.99Å; R180-Y208 HydrophobicContact CG-CD1 4Å; R180-Y208 HydrophobicContact CG-CE1 4.46Å; R180-Y208 WeakPolarHBondContact O-CD1 3.44Å | ||
| 181 | T | 95.4 | Very high | 96.3 | Very high | 55 Ų | 55 | 64 Ų | 64 | 34% | 0.337 | 32% | 0.315 | S | S | . | . | trans | -134.7 | 113.7 | 169.1 | -38.8 | 0 | 0 | 0 | 0 | 107.8 | Y208 E263 | T181-Y208 CarbonylContact C-O 3.55Å; T181-Y208 WeakPolarHBondContact CA-O 3.24Å; T181-Y208 WeakPolarHBondContact CG2-O 3.15Å; T181-E263 HydrophobicContact CG2-CB 4.12Å; T181-E263 HydrophobicContact CG2-CG 4.26Å | ||
| 182 | D | 97.6 | Very high | 96.2 | Very high | 48 Ų | 48 | 68 Ų | 68 | 26% | 0.257 | 34% | 0.342 | S | S | . | . | B | Isolated β-bridge | trans | -98.3 | 113.2 | -178.7 | -63.8 | -39.9 | 0 | 0 | 0 | 107.9 | R180 F207 Y208 H262 | R180-D182 WeakPolarHBondContact CD-OD2 3.46Å; R180-D182 IonicContact CZ-OD2 2.77Å; R180-D182 IonicContact NE-OD2 3.61Å; R180-D182 PolarHBondContact NE-OD2 2.99Å; D182-F207 WeakPolarHBondContact O-CA 3.3Å; D182-F207 WeakPolarHBondContact O-CB 3.42Å; D182-Y208 PolarHBondContact N-O 3.02Å; D182-Y208 PolarHBondContact O-N 2.87Å; D182-Y208 VanDerWaalsContact O-N 3.09Å; D182-H262 PolarHBondContact O-CE1 2.72Å |
| 183 | P | 98.2 | Very high | 96.1 | Very high | 66 Ų | 66 | 66.5 Ų | 66.5 | 43% | 0.429 | 34% | 0.337 | S | S | . | . | trans | -68.8 | 147.6 | -180 | 26.5 | -32.9 | 0 | 0 | 0 | 111.5 | K185 L265 | P183-K185 PolarHBondContact O-N 2.61Å; P183-L265 HydrophobicContact CB-CD2 3.9Å; P183-L265 HydrophobicContact CB-CG 4.44Å | ||
| 184 | P | 98.5 | Very high | 96 | Very high | 9 Ų | 9 | 66.7 Ų | 66.7 | 6% | 0.058 | 34% | 0.342 | C | S | . | . | trans | -64.6 | 132.6 | 178.4 | 27.3 | -35.1 | 0 | 0 | 0 | 111.6 | T186 A204 F207 I212 V260 H262 L265 | P184-T186 HydrophobicContact CB-CG2 4.1Å; P184-T186 HydrophobicContact CG-CG2 4.26Å; P184-T186 PolarHBondContact O-N 3.24Å; P184-A204 HydrophobicContact CB-CB 3.81Å; P184-F207 HydrophobicContact CB-CB 3.89Å; P184-F207 HydrophobicContact CB-CD1 3.98Å; P184-F207 HydrophobicContact CB-CG 4.21Å; P184-I212 HydrophobicContact CB-CD1 3.97Å; P184-I212 HydrophobicContact CG-CD1 4.04Å; P184-V260 HydrophobicContact CG-CG1 3.89Å; P184-H262 HydrophobicContact CG-CB 4.04Å; P184-L265 HydrophobicContact CG-CD1 3.89Å; P184-L265 HydrophobicContact CG-CD2 4.46Å; P184-L265 HydrophobicContact CG-CG 4.24Å | ||
| 185 | K | 98.5 | Very high | 95.8 | Very high | 158 Ų | 158 | 73.6 Ų | 73.6 | 69% | 0.687 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 107.8 | 163.3 | -64.7 | 174.9 | -173.2 | 169.3 | 0 | 107.8 | P183 L205 | P183-K185 PolarHBondContact O-N 2.61Å; K185-L205 PolarHBondContact N-O 2.79Å; K185-L205 PolarHBondContact O-N 2.63Å |
| 186 | T | 98.3 | Very high | 95.7 | Very high | 36 Ų | 36 | 75.3 Ų | 75.3 | 22% | 0.221 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 138.7 | -175.2 | 57.4 | 0 | 0 | 0 | 0 | 112.3 | P184 W203 A204 V260 L269 L271 | P184-T186 HydrophobicContact CB-CG2 4.1Å; P184-T186 HydrophobicContact CG-CG2 4.26Å; P184-T186 PolarHBondContact O-N 3.24Å; T186-W203 WeakPolarHBondContact CA-O 3.47Å; T186-A204 HydrophobicContact CG2-CB 4.49Å; T186-V260 HydrophobicContact CG2-CB 4.32Å; T186-V260 HydrophobicContact CG2-CG1 4.09Å; T186-V260 HydrophobicContact CG2-CG2 3.97Å; T186-L269 HydrophobicContact CG2-CD1 4.18Å; T186-L271 HydrophobicContact CG2-CD1 4.13Å |
| 187 | H | 96.8 | Very high | 95.9 | Very high | 79 Ų | 79 | 71 Ų | 71 | 37% | 0.366 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 163.8 | 169.5 | 68.4 | -77.3 | 0 | 0 | 0 | 110.4 | W203 | H187-W203 WeakPolarHBondContact CE1-CB 3.48Å; H187-W203 AromaticContact CE1-CD1 3.82Å; H187-W203 AromaticContact CE1-CG 3.54Å; H187-W203 PolarHBondContact N-O 2.72Å; H187-W203 AromaticContact NE2-CD1 3.46Å; H187-W203 AromaticContact NE2-CG 3.67Å; H187-W203 PolarHBondContact O-N 2.72Å |
| 188 | M | 96.9 | Very high | 96.1 | Very high | 31 Ų | 31 | 68.8 Ų | 68.8 | 15% | 0.153 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 147.1 | 176.1 | -78.8 | -176.9 | 47.5 | 0 | 0 | 111.2 | L200 R201 C202 W216 L271 W273 | M188-L200 HydrophobicContact CE-CB 4.47Å; M188-L200 HydrophobicContact CE-CD1 4.32Å; M188-L200 HydrophobicContact CE-CD2 4.26Å; M188-R201 WeakPolarHBondContact CA-O 3.49Å; M188-C202 HydrophobicContact CG-CB 4.48Å; M188-W216 HydrophobicContact CE-CH2 3.52Å; M188-W216 HydrophobicContact CE-CZ2 4.43Å; M188-W216 HydrophobicContact CE-CZ3 4.32Å; M188-W216 HydrophobicContact SD-CH2 3.93Å; M188-L271 HydrophobicContact CG-CB 4.37Å; M188-L271 HydrophobicContact SD-CB 3.88Å; M188-W273 HydrophobicContact CE-CB 3.52Å |
| 189 | T | 97.3 | Very high | 96.3 | Very high | 33 Ų | 33 | 69.6 Ų | 69.6 | 20% | 0.202 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 140.6 | 174.8 | 53.9 | 0 | 0 | 0 | 0 | 109.1 | H191 R201 W203 | T189-H191 VanDerWaalsContact CB-CE1 3.45Å; T189-H191 WeakPolarHBondContact CB-CE1 3.45Å; T189-H191 PolarHBondContact OG1-CE1 3.25Å; T189-H191 VanDerWaalsContact OG1-CE1 3.3Å; T189-R201 PolarHBondContact N-O 2.88Å; T189-R201 PolarHBondContact O-N 3.18Å; T189-R201 WeakPolarHBondContact OG1-CB 3.32Å; T189-R201 PolarHBondContact OG1-O 2.9Å; T189-W203 PolarHBondContact OG1-NE1 3.43Å |
| 190 | H | 97.2 | Very high | 96.6 | Very high | 50 Ų | 50 | 65.6 Ų | 65.6 | 23% | 0.231 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 124.6 | -178.4 | 169.7 | -91.1 | 0 | 0 | 0 | 108.9 | A198 T199 L200 E253 W273 | H190-A198 WeakPolarHBondContact NE2-CB 3.47Å; H190-T199 WeakPolarHBondContact CA-O 3.5Å; H190-L200 HydrophobicContact CB-CD2 4.09Å; H190-E253 IonicContact NE2-OE1 2.75Å; H190-W273 HydrophobicContact CB-CD2 4.14Å; H190-W273 HydrophobicContact CB-CG 4.32Å; H190-W273 HydrophobicContact CB-CZ2 3.97Å; H190-W273 AromaticContact CG-CE2 3.71Å; H190-W273 AromaticContact CG-CZ2 3.66Å; H190-W273 AromaticContact ND1-CZ2 3.75Å |
| 191 | H | 96.4 | Very high | 96.8 | Very high | 82 Ų | 82 | 64.4 Ų | 64.4 | 38% | 0.38 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 105.7 | -177.8 | -56.1 | 85.8 | 0 | 0 | 0 | 109.4 | T189 I193 A198 T199 R201 | T189-H191 VanDerWaalsContact CB-CE1 3.45Å; T189-H191 WeakPolarHBondContact CB-CE1 3.45Å; T189-H191 PolarHBondContact OG1-CE1 3.25Å; T189-H191 VanDerWaalsContact OG1-CE1 3.3Å; H191-I193 PolarHBondContact O-N 2.97Å; H191-A198 CarbonylContact O-C 3.5Å; H191-A198 WeakPolarHBondContact O-CA 3.31Å; H191-T199 PolarHBondContact N-O 3.34Å; H191-T199 PolarHBondContact O-N 2.84Å; H191-R201 PolarHBondContact CE1-NH1 2.93Å |
| 192 | P | 95.6 | Very high | 97 | Very high | 98 Ų | 98 | 61.8 Ų | 61.8 | 64% | 0.636 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57.6 | 130.3 | 172.2 | -21.8 | 32.1 | 0 | 0 | 0 | 110.8 | ||
| 193 | I | 94.9 | Very high | 97 | Very high | 94 Ų | 94 | 61.7 Ų | 61.7 | 48% | 0.482 | 32% | 0.316 | S | S | . | . | trans | -99.5 | -43.6 | 173.9 | -60.8 | 161.9 | 0 | 0 | 0 | 109.5 | H191 E197 T199 V247 | H191-I193 PolarHBondContact O-N 2.97Å; I193-E197 PolarHBondContact N-O 2.99Å; I193-T199 VanDerWaalsContact CD1-OG1 3.22Å; I193-T199 WeakPolarHBondContact CD1-OG1 3.18Å; I193-V247 HydrophobicContact CD1-CG1 3.96Å; I193-V247 HydrophobicContact CD1-CG2 3.96Å | ||
| 194 | S | 94.9 | Very high | 97 | Very high | 54 Ų | 54 | 58.6 Ų | 58.6 | 38% | 0.378 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -147.8 | -178.8 | 178.4 | 72.8 | 0 | 0 | 0 | 0 | 110.2 | H196 E197 | S194-H196 PolarHBondContact O-N 2.99Å; S194-H196 VanDerWaalsContact O-N 3.16Å; S194-H196 PolarHBondContact OG-N 2.87Å; S194-H196 VanDerWaalsContact OG-N 3.17Å; S194-E197 PolarHBondContact N-O 3.23Å; S194-E197 VanDerWaalsContact N-O 3.1Å; S194-E197 VanDerWaalsContact O-O 3.14Å; S194-E197 PolarHBondContact OG-N 3.03Å |
| 195 | D | 92.6 | Very high | 97 | Very high | 149 Ų | 149 | 60.7 Ų | 60.7 | 80% | 0.797 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -62 | -19.1 | 172.8 | -65.3 | -20.9 | 0 | 0 | 0 | 112.7 | S250 | D195-S250 PolarHBondContact O-OG 2.98Å; D195-S250 VanDerWaalsContact O-OG 3.06Å |
| 196 | H | 95.1 | Very high | 97 | Very high | 145 Ų | 145 | 54.3 Ų | 54.3 | 67% | 0.671 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -107.6 | -15.6 | -173.9 | -55.6 | -49.7 | 0 | 0 | 0 | 114.1 | S194 P249 S250 | S194-H196 PolarHBondContact O-N 2.99Å; S194-H196 VanDerWaalsContact O-N 3.16Å; S194-H196 PolarHBondContact OG-N 2.87Å; S194-H196 VanDerWaalsContact OG-N 3.17Å; H196-P249 CarbonylContact O-C 3.59Å; H196-P249 WeakPolarHBondContact O-CA 3.41Å; H196-S250 PolarHBondContact O-N 3.35Å; H196-S250 PolarHBondContact O-OG 2.83Å |
| 197 | E | 96.5 | Very high | 97 | Very high | 92 Ų | 92 | 52.6 Ų | 52.6 | 43% | 0.43 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 146.9 | -170.3 | -67 | -179.5 | 160.2 | 0 | 0 | 112.8 | I193 S194 V247 V248 S250 | I193-E197 PolarHBondContact N-O 2.99Å; S194-E197 PolarHBondContact N-O 3.23Å; S194-E197 VanDerWaalsContact N-O 3.1Å; S194-E197 VanDerWaalsContact O-O 3.14Å; S194-E197 PolarHBondContact OG-N 3.03Å; E197-V247 HydrophobicContact CB-CG1 4.01Å; E197-V247 HydrophobicContact CG-CG1 4.23Å; E197-V248 VanDerWaalsContact CA-O 3.31Å; E197-V248 WeakPolarHBondContact CA-O 3.41Å; E197-S250 PolarHBondContact N-OG 3.15Å |
| 198 | A | 97.4 | Very high | 97.1 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.008 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 154.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | H190 H191 V247 V248 | H190-A198 WeakPolarHBondContact NE2-CB 3.47Å; H191-A198 CarbonylContact O-C 3.5Å; H191-A198 WeakPolarHBondContact O-CA 3.31Å; A198-V247 WeakPolarHBondContact O-CA 3.36Å; A198-V248 PolarHBondContact N-O 2.89Å; A198-V248 PolarHBondContact O-N 2.91Å |
| 199 | T | 98.2 | Very high | 97.1 | Very high | 21 Ų | 21 | 48.6 Ų | 48.6 | 13% | 0.129 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 122.2 | 167.6 | -54.9 | 0 | 0 | 0 | 0 | 110 | H190 H191 I193 A245 V246 | H190-T199 WeakPolarHBondContact CA-O 3.5Å; H191-T199 PolarHBondContact N-O 3.34Å; H191-T199 PolarHBondContact O-N 2.84Å; I193-T199 VanDerWaalsContact CD1-OG1 3.22Å; I193-T199 WeakPolarHBondContact CD1-OG1 3.18Å; T199-A245 HydrophobicContact CG2-CB 3.85Å; T199-V246 WeakPolarHBondContact CA-O 3.5Å |
| 200 | L | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 123.2 | 161.4 | -64.4 | -177.9 | 0 | 0 | 0 | 108.9 | M188 H190 W216 A245 V246 V248 E253 W273 | M188-L200 HydrophobicContact CE-CB 4.47Å; M188-L200 HydrophobicContact CE-CD1 4.32Å; M188-L200 HydrophobicContact CE-CD2 4.26Å; H190-L200 HydrophobicContact CB-CD2 4.09Å; L200-W216 HydrophobicContact CB-CH2 3.66Å; L200-W216 HydrophobicContact CB-CZ2 3.84Å; L200-W216 HydrophobicContact CB-CZ3 4.48Å; L200-W216 HydrophobicContact CD1-CH2 4.09Å; L200-W216 HydrophobicContact CD1-CZ3 4.27Å; L200-A245 CarbonylContact O-C 3.58Å; L200-A245 WeakPolarHBondContact O-CA 3.42Å; L200-V246 HydrophobicContact CB-CG2 4.2Å; L200-V246 PolarHBondContact N-O 3.43Å; L200-V246 PolarHBondContact O-N 2.94Å; L200-V248 HydrophobicContact CD1-CG1 3.96Å; L200-V248 HydrophobicContact CD1-CG2 3.97Å; L200-V248 HydrophobicContact CG-CG1 4.18Å; L200-V248 HydrophobicContact CG-CG2 3.83Å; L200-E253 HydrophobicContact CD1-CB 4.12Å; L200-E253 HydrophobicContact CD1-CG 4.5Å; L200-E253 HydrophobicContact CD2-CG 4.37Å; L200-W273 HydrophobicContact CD2-CB 4.07Å; L200-W273 HydrophobicContact CD2-CD2 4.49Å; L200-W273 HydrophobicContact CD2-CG 4.16Å |
| 201 | R | 98.5 | Very high | 97.2 | Very high | 51 Ų | 51 | 52.3 Ų | 52.3 | 19% | 0.192 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 121.6 | 175.6 | -178.5 | -177.3 | -61.8 | 116.4 | 2.6 | 110.4 | M188 T189 H191 W203 W243 A244 A245 | M188-R201 WeakPolarHBondContact CA-O 3.49Å; T189-R201 PolarHBondContact N-O 2.88Å; T189-R201 PolarHBondContact O-N 3.18Å; T189-R201 WeakPolarHBondContact OG1-CB 3.32Å; T189-R201 PolarHBondContact OG1-O 2.9Å; H191-R201 PolarHBondContact CE1-NH1 2.93Å; R201-W203 VanDerWaalsContact CD-CE2 3.41Å; R201-W203 VanDerWaalsContact CD-CZ2 3.43Å; R201-W203 VanDerWaalsContact CD-NE1 3.35Å; R201-W203 HydrophobicContact CG-CZ2 4.49Å; R201-W243 HydrophobicContact CG-CB 3.98Å; R201-W243 HydrophobicContact CG-CD2 4.13Å; R201-W243 HydrophobicContact CG-CE3 3.91Å; R201-W243 HydrophobicContact CG-CG 4.21Å; R201-A244 WeakPolarHBondContact CA-O 3.36Å; R201-A245 HydrophobicContact CB-CB 3.97Å; R201-A245 HydrophobicContact CG-CB 4.1Å |
| 202 | C | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 122.9 | 175.8 | -175.6 | 0 | 0 | 0 | 0 | 109.5 | M188 W216 W243 A244 C258 | M188-C202 HydrophobicContact CG-CB 4.48Å; C202-W216 HydrophobicContact CB-CZ2 3.69Å; C202-W243 CarbonylContact O-C 3.59Å; C202-W243 WeakPolarHBondContact O-CA 3.46Å; C202-W243 VanDerWaalsContact O-CB 3.26Å; C202-W243 WeakPolarHBondContact O-CB 3.28Å; C202-A244 PolarHBondContact N-O 3.19Å; C202-A244 PolarHBondContact O-N 3.31Å; C202-C258 HydrophobicContact CB-CB 3.48Å; C202-C258 VanDerWaalsContact CB-CB 3.48Å; C202-C258 WeakPolarHBondContact CB-SG 3.4Å; C202-C258 WeakPolarHBondContact SG-CB 3.23Å; C202-C258 CovalentContact SG-SG 2.03Å; C202-C258 PolarHBondContact SG-SG 3.39Å |
| 203 | W | 98.6 | Very high | 97.4 | Very high | 47 Ų | 47 | 47 Ų | 47 | 18% | 0.178 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 142.7 | -179.2 | -71.1 | 90.3 | 0 | 0 | 0 | 110.9 | T186 H187 T189 R201 L205 W243 | T186-W203 WeakPolarHBondContact CA-O 3.47Å; H187-W203 WeakPolarHBondContact CE1-CB 3.48Å; H187-W203 AromaticContact CE1-CD1 3.82Å; H187-W203 AromaticContact CE1-CG 3.54Å; H187-W203 PolarHBondContact N-O 2.72Å; H187-W203 AromaticContact NE2-CD1 3.46Å; H187-W203 AromaticContact NE2-CG 3.67Å; H187-W203 PolarHBondContact O-N 2.72Å; T189-W203 PolarHBondContact OG1-NE1 3.43Å; R201-W203 VanDerWaalsContact CD-CE2 3.41Å; R201-W203 VanDerWaalsContact CD-CZ2 3.43Å; R201-W203 VanDerWaalsContact CD-NE1 3.35Å; R201-W203 HydrophobicContact CG-CZ2 4.49Å; W203-L205 HydrophobicContact CE3-CD2 3.86Å; W203-L205 HydrophobicContact CZ3-CD2 4.38Å; W203-W243 HydrophobicContact CD2-CB 3.89Å; W203-W243 HydrophobicContact CD2-CG 4.43Å; W203-W243 HydrophobicContact CE3-CB 3.84Å; W203-W243 AromaticContact CE3-CD1 3.88Å; W203-W243 HydrophobicContact CE3-CG 4.19Å; W203-W243 HydrophobicContact CG-CB 4.34Å; W203-W243 AromaticContact CH2-CD1 3.52Å; W203-W243 HydrophobicContact CH2-CG 4.19Å; W203-W243 AromaticContact CH2-NE1 4Å; W203-W243 HydrophobicContact CZ2-CG 4.42Å; W203-W243 HydrophobicContact CZ3-CB 4.24Å; W203-W243 AromaticContact CZ3-CD1 3.38Å; W203-W243 HydrophobicContact CZ3-CG 4.09Å |
| 204 | A | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 122.8 | 162.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | P184 T186 F207 I212 L214 Q241 K242 | P184-A204 HydrophobicContact CB-CB 3.81Å; T186-A204 HydrophobicContact CG2-CB 4.49Å; A204-F207 HydrophobicContact CB-CD1 4.07Å; A204-F207 HydrophobicContact CB-CE1 3.85Å; A204-F207 WeakPolarHBondContact O-CE1 3.27Å; A204-I212 HydrophobicContact CB-CD1 3.61Å; A204-L214 HydrophobicContact CB-CD1 4.02Å; A204-L214 HydrophobicContact CB-CD2 4.15Å; A204-Q241 VanDerWaalsContact O-CA 3.32Å; A204-Q241 WeakPolarHBondContact O-CA 3.42Å; A204-K242 PolarHBondContact N-O 3.49Å; A204-K242 PolarHBondContact O-N 2.99Å; A204-K242 VanDerWaalsContact O-O 3.11Å |
| 205 | L | 98.6 | Very high | 97.8 | Very high | 54 Ų | 54 | 42.1 Ų | 42.1 | 28% | 0.283 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 149 | -175.8 | -59.3 | 178.7 | 0 | 0 | 0 | 111.2 | K185 W203 F207 Q241 | K185-L205 PolarHBondContact N-O 2.79Å; K185-L205 PolarHBondContact O-N 2.63Å; W203-L205 HydrophobicContact CE3-CD2 3.86Å; W203-L205 HydrophobicContact CZ3-CD2 4.38Å; L205-F207 VanDerWaalsContact C-N 3.35Å; L205-F207 PolarHBondContact O-N 3.16Å; L205-Q241 HydrophobicContact CD2-CB 3.55Å |
| 206 | G | 98.2 | Very high | 98 | Very high | 24 Ų | 24 | 35.1 Ų | 35.1 | 25% | 0.247 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 68.8 | 31.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | F240 | G206-F240 PolarHBondContact N-O 3.47Å |
| 207 | F | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 153.8 | -179.7 | 60 | -89.4 | 0 | 0 | 0 | 112.6 | D182 P184 A204 L205 P209 I212 T232 T239 F240 K242 H262 | D182-F207 WeakPolarHBondContact O-CA 3.3Å; D182-F207 WeakPolarHBondContact O-CB 3.42Å; P184-F207 HydrophobicContact CB-CB 3.89Å; P184-F207 HydrophobicContact CB-CD1 3.98Å; P184-F207 HydrophobicContact CB-CG 4.21Å; A204-F207 HydrophobicContact CB-CD1 4.07Å; A204-F207 HydrophobicContact CB-CE1 3.85Å; A204-F207 WeakPolarHBondContact O-CE1 3.27Å; L205-F207 VanDerWaalsContact C-N 3.35Å; L205-F207 PolarHBondContact O-N 3.16Å; F207-P209 WeakPolarHBondContact CD2-O 3.35Å; F207-I212 HydrophobicContact CD1-CD1 3.84Å; F207-I212 HydrophobicContact CD2-CB 4.23Å; F207-I212 HydrophobicContact CD2-CD1 3.96Å; F207-I212 HydrophobicContact CD2-CG2 4.5Å; F207-I212 HydrophobicContact CE1-CD1 3.77Å; F207-I212 HydrophobicContact CE1-CG2 4.44Å; F207-I212 HydrophobicContact CE2-CB 3.74Å; F207-I212 HydrophobicContact CE2-CD1 3.92Å; F207-I212 HydrophobicContact CE2-CG1 4.41Å; F207-I212 HydrophobicContact CE2-CG2 3.56Å; F207-I212 HydrophobicContact CG-CD1 3.95Å; F207-I212 HydrophobicContact CZ-CB 4.13Å; F207-I212 HydrophobicContact CZ-CD1 3.85Å; F207-I212 HydrophobicContact CZ-CG2 3.54Å; F207-T232 HydrophobicContact CE2-CG2 4.04Å; F207-T232 HydrophobicContact CZ-CG2 3.88Å; F207-T239 CarbonylContact O-C 3.57Å; F207-T239 WeakPolarHBondContact O-CA 3.1Å; F207-F240 VanDerWaalsContact CD1-O 3.29Å; F207-F240 WeakPolarHBondContact CD1-O 3.48Å; F207-F240 HydrophobicContact CD2-CB 3.91Å; F207-F240 HydrophobicContact CE1-CB 4.22Å; F207-F240 WeakPolarHBondContact CE1-O 3.39Å; F207-F240 HydrophobicContact CE2-CB 3.45Å; F207-F240 VanDerWaalsContact CE2-CB 3.45Å; F207-F240 HydrophobicContact CE2-CG 4.43Å; F207-F240 HydrophobicContact CG-CB 4.44Å; F207-F240 HydrophobicContact CZ-CB 3.61Å; F207-F240 PolarHBondContact N-O 3.5Å; F207-F240 PolarHBondContact O-N 2.77Å; F207-K242 HydrophobicContact CE1-CB 4.34Å; F207-K242 HydrophobicContact CZ-CB 4.11Å; F207-H262 AromaticContact CD2-CD2 3.85Å; F207-H262 AromaticContact CD2-NE2 3.77Å |
| 208 | Y | 98.1 | Very high | 98.3 | Very high | 4 Ų | 4 | 29.3 Ų | 29.3 | 2% | 0.016 | 15% | 0.151 | C | C | . | . | B | Isolated β-bridge | trans | -151 | 135.1 | 173.3 | 180 | -85.7 | 0 | 0 | 0 | 108.8 | D29 T30 R180 T181 D182 G238 F240 H262 | D29-Y208 HydrophobicContact CB-CE2 3.82Å; T30-Y208 PolarHBondContact OG1-OH 3.37Å; R180-Y208 HydrophobicContact CG-CD1 4Å; R180-Y208 HydrophobicContact CG-CE1 4.46Å; R180-Y208 WeakPolarHBondContact O-CD1 3.44Å; T181-Y208 CarbonylContact C-O 3.55Å; T181-Y208 WeakPolarHBondContact CA-O 3.24Å; T181-Y208 WeakPolarHBondContact CG2-O 3.15Å; D182-Y208 PolarHBondContact N-O 3.02Å; D182-Y208 PolarHBondContact O-N 2.87Å; D182-Y208 VanDerWaalsContact O-N 3.09Å; Y208-G238 VanDerWaalsContact CD2-O 3.31Å; Y208-G238 WeakPolarHBondContact CD2-O 3.3Å; Y208-F240 HydrophobicContact CD2-CD2 4.46Å; Y208-F240 HydrophobicContact CD2-CE2 4Å; Y208-F240 HydrophobicContact CE2-CE2 4.45Å; Y208-H262 PolarHBondContact O-CE1 2.94Å |
| 209 | P | 97.6 | Very high | 98.2 | Very high | 21 Ų | 21 | 34.1 Ų | 34.1 | 14% | 0.136 | 18% | 0.176 | C | C | . | . | S | Bend | cis | -72 | -177.7 | 3.1 | 31 | -36.7 | 0 | 0 | 0 | 114 | D29 F207 E211 H262 | D29-P209 WeakPolarHBondContact OD2-CB 3.5Å; F207-P209 WeakPolarHBondContact CD2-O 3.35Å; P209-E211 VanDerWaalsContact C-N 3.29Å; P209-E211 PolarHBondContact O-N 2.85Å; P209-H262 PolarHBondContact O-NE2 3.15Å |
| 210 | A | 97.9 | Very high | 98 | Very high | 17 Ų | 17 | 35.4 Ų | 35.4 | 14% | 0.14 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -70.2 | -23.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | D29 I212 T232 F240 | D29-A210 WeakPolarHBondContact OD2-CB 3.43Å; D29-A210 PolarHBondContact OD2-N 2.87Å; A210-I212 PolarHBondContact O-N 3.14Å; A210-T232 HydrophobicContact CB-CG2 4.33Å; A210-F240 HydrophobicContact CB-CD1 3.78Å; A210-F240 HydrophobicContact CB-CD2 3.74Å; A210-F240 HydrophobicContact CB-CE1 3.69Å; A210-F240 HydrophobicContact CB-CE2 3.67Å; A210-F240 HydrophobicContact CB-CG 3.82Å; A210-F240 HydrophobicContact CB-CZ 3.66Å |
| 211 | E | 98.1 | Very high | 98 | Very high | 145 Ų | 145 | 42.4 Ų | 42.4 | 68% | 0.678 | 23% | 0.227 | S | C | * | . | trans | -66.6 | 116.8 | -178.5 | -173.3 | 58 | -144.6 | 0 | 0 | 110.7 | P209 H262 | P209-E211 VanDerWaalsContact C-N 3.29Å; P209-E211 PolarHBondContact O-N 2.85Å; E211-H262 PolarHBondContact O-CD2 3.39Å; E211-H262 VanDerWaalsContact O-CD2 3.28Å | ||
| 212 | I | 98.5 | Very high | 97.9 | Very high | 11 Ų | 11 | 44.4 Ų | 44.4 | 6% | 0.056 | 24% | 0.241 | C | C | . | . | trans | -152.5 | 143.7 | -178.6 | -163.1 | 171.4 | 0 | 0 | 0 | 109.8 | P184 A204 F207 A210 L214 K242 V260 Q261 H262 | P184-I212 HydrophobicContact CB-CD1 3.97Å; P184-I212 HydrophobicContact CG-CD1 4.04Å; A204-I212 HydrophobicContact CB-CD1 3.61Å; F207-I212 HydrophobicContact CD1-CD1 3.84Å; F207-I212 HydrophobicContact CD2-CB 4.23Å; F207-I212 HydrophobicContact CD2-CD1 3.96Å; F207-I212 HydrophobicContact CD2-CG2 4.5Å; F207-I212 HydrophobicContact CE1-CD1 3.77Å; F207-I212 HydrophobicContact CE1-CG2 4.44Å; F207-I212 HydrophobicContact CE2-CB 3.74Å; F207-I212 HydrophobicContact CE2-CD1 3.92Å; F207-I212 HydrophobicContact CE2-CG1 4.41Å; F207-I212 HydrophobicContact CE2-CG2 3.56Å; F207-I212 HydrophobicContact CG-CD1 3.95Å; F207-I212 HydrophobicContact CZ-CB 4.13Å; F207-I212 HydrophobicContact CZ-CD1 3.85Å; F207-I212 HydrophobicContact CZ-CG2 3.54Å; A210-I212 PolarHBondContact O-N 3.14Å; I212-L214 HydrophobicContact CB-CD1 4.43Å; I212-L214 HydrophobicContact CD1-CD1 3.63Å; I212-L214 HydrophobicContact CG1-CD1 3.62Å; I212-L214 HydrophobicContact CG2-CD1 4.06Å; I212-K242 HydrophobicContact CG2-CB 4.29Å; I212-K242 HydrophobicContact CG2-CD 3.62Å; I212-V260 HydrophobicContact CD1-CG1 4.08Å; I212-V260 HydrophobicContact CG1-CG1 4.37Å; I212-Q261 VanDerWaalsContact CG1-O 3.28Å; I212-Q261 WeakPolarHBondContact CG1-O 3.33Å; I212-H262 HydrophobicContact CD1-CB 4.42Å; I212-H262 HydrophobicContact CG1-CB 4.15Å | ||
| 213 | T | 98.4 | Very high | 97.8 | Very high | 57 Ų | 57 | 45.7 Ų | 45.7 | 35% | 0.35 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 124.3 | 173 | -59.9 | 0 | 0 | 0 | 0 | 110.1 | T215 V260 Q261 | T213-T215 HydrophobicContact CG2-CG2 3.97Å; T213-V260 WeakPolarHBondContact O-CA 3.47Å; T213-Q261 PolarHBondContact N-O 3.03Å; T213-Q261 PolarHBondContact O-N 3.43Å |
| 214 | L | 98.4 | Very high | 97.6 | Very high | 6 Ų | 6 | 48.7 Ų | 48.7 | 3% | 0.031 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 120.4 | 171.8 | -84.2 | 62 | 0 | 0 | 0 | 108.1 | A204 I212 L229 K242 A244 H259 V260 | A204-L214 HydrophobicContact CB-CD1 4.02Å; A204-L214 HydrophobicContact CB-CD2 4.15Å; I212-L214 HydrophobicContact CB-CD1 4.43Å; I212-L214 HydrophobicContact CD1-CD1 3.63Å; I212-L214 HydrophobicContact CG1-CD1 3.62Å; I212-L214 HydrophobicContact CG2-CD1 4.06Å; L214-L229 HydrophobicContact CB-CD1 4.27Å; L214-K242 HydrophobicContact CD1-CD 4.21Å; L214-K242 HydrophobicContact CD2-CB 4.3Å; L214-K242 HydrophobicContact CD2-CD 4.48Å; L214-K242 HydrophobicContact CD2-CG 4.36Å; L214-A244 HydrophobicContact CB-CB 4Å; L214-A244 HydrophobicContact CD2-CB 4.32Å; L214-H259 WeakPolarHBondContact CA-O 3.43Å; L214-V260 HydrophobicContact CD1-CG1 4.18Å; L214-V260 HydrophobicContact CG-CG2 4.35Å |
| 215 | T | 98.3 | Very high | 97.4 | Very high | 40 Ų | 40 | 57.9 Ų | 57.9 | 25% | 0.245 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 148 | 176.2 | 56.2 | 0 | 0 | 0 | 0 | 111.6 | T213 C258 H259 | T213-T215 HydrophobicContact CG2-CG2 3.97Å; T215-C258 CarbonylContact O-C 3.54Å; T215-C258 WeakPolarHBondContact O-CA 3.46Å; T215-H259 PolarHBondContact N-O 3.04Å; T215-H259 PolarHBondContact O-N 3.38Å |
| 216 | W | 98.4 | Very high | 97.1 | Very high | 2 Ų | 2 | 60.7 Ų | 60.7 | 1% | 0.008 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 137 | 170.2 | -83 | 104.4 | 0 | 0 | 0 | 110.1 | M188 L200 C202 D222 Q223 A244 V246 T257 C258 | M188-W216 HydrophobicContact CE-CH2 3.52Å; M188-W216 HydrophobicContact CE-CZ2 4.43Å; M188-W216 HydrophobicContact CE-CZ3 4.32Å; M188-W216 HydrophobicContact SD-CH2 3.93Å; L200-W216 HydrophobicContact CB-CH2 3.66Å; L200-W216 HydrophobicContact CB-CZ2 3.84Å; L200-W216 HydrophobicContact CB-CZ3 4.48Å; L200-W216 HydrophobicContact CD1-CH2 4.09Å; L200-W216 HydrophobicContact CD1-CZ3 4.27Å; C202-W216 HydrophobicContact CB-CZ2 3.69Å; W216-D222 WeakPolarHBondContact O-CA 3.19Å; W216-Q223 HydrophobicContact CB-CB 4.26Å; W216-Q223 PolarHBondContact O-N 3.22Å; W216-A244 VanDerWaalsContact NE1-C 3.35Å; W216-A244 PolarHBondContact NE1-O 3.39Å; W216-V246 HydrophobicContact CB-CG1 3.71Å; W216-V246 HydrophobicContact CD2-CG1 4.28Å; W216-V246 HydrophobicContact CD2-CG2 3.63Å; W216-V246 HydrophobicContact CE3-CG2 3.97Å; W216-V246 HydrophobicContact CG-CB 4.41Å; W216-V246 HydrophobicContact CG-CG1 3.62Å; W216-V246 HydrophobicContact CG-CG2 3.89Å; W216-V246 HydrophobicContact CZ2-CG2 4.23Å; W216-V246 HydrophobicContact CZ3-CG2 4.41Å; W216-T257 WeakPolarHBondContact CA-O 3.48Å; W216-T257 VanDerWaalsContact CE3-C 3.4Å; W216-T257 VanDerWaalsContact CE3-O 3.31Å; W216-C258 HydrophobicContact CD2-CB 4.21Å; W216-C258 HydrophobicContact CE3-CB 4.18Å; W216-C258 HydrophobicContact CH2-CB 4.03Å; W216-C258 HydrophobicContact CZ2-CB 4.06Å; W216-C258 HydrophobicContact CZ3-CB 4.07Å |
| 217 | Q | 98.4 | Very high | 97.1 | Very high | 43 Ų | 43 | 60.7 Ų | 60.7 | 20% | 0.201 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 144.4 | 170.9 | -69.6 | -174.7 | -8.8 | 0 | 0 | 110.3 | E221 D222 Y256 T257 H259 | Q217-E221 CarbonylContact C-O 3.6Å; Q217-E221 VanDerWaalsContact CA-O 3.22Å; Q217-E221 WeakPolarHBondContact CA-O 3.18Å; Q217-D222 WeakPolarHBondContact CG-OD1 3.29Å; Q217-D222 PolarHBondContact NE2-OD1 3.14Å; Q217-Y256 CarbonylContact O-C 3.59Å; Q217-Y256 VanDerWaalsContact O-CA 3.25Å; Q217-Y256 WeakPolarHBondContact O-CA 3.3Å; Q217-T257 PolarHBondContact N-O 3.33Å; Q217-T257 PolarHBondContact O-N 3.28Å; Q217-H259 PolarHBondContact OE1-CE1 3.15Å; Q217-H259 PolarHBondContact OE1-NE2 3.28Å |
| 218 | R | 97.9 | Very high | 97 | Very high | 72 Ų | 72 | 66.2 Ų | 66.2 | 27% | 0.272 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 119 | 167.5 | -176.1 | -171.8 | -175.2 | 178.8 | 0.5 | 107.9 | G220 E221 Q223 E252 R255 Y256 | R218-G220 PolarHBondContact O-N 2.89Å; R218-E221 PolarHBondContact N-O 3.38Å; R218-E221 PolarHBondContact O-N 3.21Å; R218-Q223 HydrophobicContact CB-CG 3.99Å; R218-E252 IonicContact CZ-OE2 3.32Å; R218-E252 IonicContact NE-OE2 2.67Å; R218-E252 IonicContact NH2-OE1 3.52Å; R218-E252 IonicContact NH2-OE2 3.8Å; R218-E252 PolarHBondContact NH2-OE2 2.86Å; R218-R255 WeakPolarHBondContact CA-O 3.32Å; R218-R255 HydrophobicContact CG-CB 4.39Å; R218-Y256 HydrophobicContact CB-CD1 4.07Å; R218-Y256 HydrophobicContact CB-CE1 3.85Å; R218-Y256 WeakPolarHBondContact CD-OH 3.44Å; R218-Y256 HydrophobicContact CG-CD1 4.42Å; R218-Y256 HydrophobicContact CG-CD2 4.49Å; R218-Y256 HydrophobicContact CG-CE1 4.02Å; R218-Y256 HydrophobicContact CG-CE2 4.07Å |
| 219 | D | 96.5 | Very high | 97 | Very high | 101 Ų | 101 | 70.3 Ų | 70.3 | 54% | 0.54 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51 | 28.6 | -175.1 | -53 | -50.9 | 0 | 0 | 0 | 114.2 | R255 | D219-R255 PolarHBondContact N-O 3.19Å; D219-R255 IonicContact OD1-NE 2.87Å; D219-R255 PolarHBondContact OD1-NE 2.74Å; D219-R255 IonicContact OD2-CZ 3.22Å; D219-R255 IonicContact OD2-NE 2.84Å; D219-R255 PolarHBondContact OD2-NE 3.45Å; D219-R255 IonicContact OD2-NH2 2.62Å; D219-R255 PolarHBondContact OD2-NH2 3.31Å |
| 220 | G | 93.9 | Very high | 97 | Very high | 49 Ų | 49 | 70.9 Ų | 70.9 | 51% | 0.505 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92 | -1.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | R218 | R218-G220 PolarHBondContact O-N 2.89Š|
| 221 | E | 97.1 | Very high | 97 | Very high | 147 Ų | 147 | 78.1 Ų | 78.1 | 69% | 0.687 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 128.6 | 177.6 | -63.2 | -172.9 | 173.3 | 0 | 0 | 112.1 | Q217 R218 Q223 | Q217-E221 CarbonylContact C-O 3.6Å; Q217-E221 VanDerWaalsContact CA-O 3.22Å; Q217-E221 WeakPolarHBondContact CA-O 3.18Å; R218-E221 PolarHBondContact N-O 3.38Å; R218-E221 PolarHBondContact O-N 3.21Å; E221-Q223 PolarHBondContact O-NE2 3.22Å |
| 222 | D | 97.1 | Very high | 97 | Very high | 93 Ų | 93 | 73.4 Ų | 73.4 | 50% | 0.497 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 133.1 | -178.8 | -71.4 | -18.9 | 0 | 0 | 0 | 112.3 | W216 Q217 | W216-D222 WeakPolarHBondContact O-CA 3.19Å; Q217-D222 WeakPolarHBondContact CG-OD1 3.29Å; Q217-D222 PolarHBondContact NE2-OD1 3.14Å |
| 223 | Q | 96.8 | Very high | 97 | Very high | 26 Ų | 26 | 77.5 Ų | 77.5 | 12% | 0.121 | 40% | 0.402 | C | S | . | . | trans | -102.9 | 41.1 | -177.1 | -57.8 | -61.3 | -72.2 | 0 | 0 | 112.1 | W216 R218 E221 Q225 D226 T227 V246 Y256 | W216-Q223 HydrophobicContact CB-CB 4.26Å; W216-Q223 PolarHBondContact O-N 3.22Å; R218-Q223 HydrophobicContact CB-CG 3.99Å; E221-Q223 PolarHBondContact O-NE2 3.22Å; Q223-Q225 VanDerWaalsContact C-N 3.31Å; Q223-Q225 PolarHBondContact O-N 3.27Å; Q223-D226 PolarHBondContact O-N 2.92Å; Q223-T227 WeakPolarHBondContact O-CB 3.48Å; Q223-T227 PolarHBondContact O-N 3.46Å; Q223-T227 PolarHBondContact O-OG1 2.97Å; Q223-V246 HydrophobicContact CB-CG1 4.41Å; Q223-Y256 HydrophobicContact CG-CE1 4.45Å | ||
| 224 | T | 93.7 | Very high | 97 | Very high | 111 Ų | 111 | 79.3 Ų | 79.3 | 68% | 0.681 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -36.4 | -169.6 | -49 | 0 | 0 | 0 | 0 | 113.9 | ||
| 225 | Q | 94.6 | Very high | 96.9 | Very high | 192 Ų | 192 | 81.4 Ų | 81.4 | 90% | 0.897 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -30.2 | -179.1 | -66.7 | -174.1 | -3 | 0 | 0 | 112.9 | Q223 | Q223-Q225 VanDerWaalsContact C-N 3.31Å; Q223-Q225 PolarHBondContact O-N 3.27Å |
| 226 | D | 93.3 | Very high | 96.8 | Very high | 113 Ų | 113 | 83.2 Ų | 83.2 | 60% | 0.604 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | -2.3 | -176.8 | -55.8 | -57.8 | 0 | 0 | 0 | 112.7 | Q223 | Q223-D226 PolarHBondContact O-N 2.92Š|
| 227 | T | 97 | Very high | 96.6 | Very high | 25 Ų | 25 | 88.4 Ų | 88.4 | 15% | 0.153 | 49% | 0.488 | C | S | . | . | trans | -90 | 119.1 | 179.4 | -62.4 | 0 | 0 | 0 | 0 | 110.8 | Q223 L229 A244 A245 V246 | Q223-T227 WeakPolarHBondContact O-CB 3.48Å; Q223-T227 PolarHBondContact O-N 3.46Å; Q223-T227 PolarHBondContact O-OG1 2.97Å; T227-L229 HydrophobicContact CG2-CB 4.34Å; T227-L229 PolarHBondContact O-N 3.43Å; T227-A244 HydrophobicContact CG2-CB 3.92Å; T227-A245 CarbonylContact C-O 3.54Å; T227-A245 WeakPolarHBondContact CA-O 3.32Å; T227-V246 WeakPolarHBondContact OG1-CG1 3.16Å | ||
| 228 | E | 97.8 | Very high | 96.3 | Very high | 115 Ų | 115 | 88.3 Ų | 88.3 | 54% | 0.537 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 109.6 | 162.6 | -172.1 | -174.5 | -171.9 | 0 | 0 | 108.9 | W243 A244 A245 | E228-W243 HydrophobicContact CB-CZ3 4.16Å; E228-W243 HydrophobicContact CG-CH2 3.84Å; E228-W243 HydrophobicContact CG-CZ3 3.82Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.42Å; E228-W243 WeakPolarHBondContact OE2-CH2 3.26Å; E228-A244 CarbonylContact O-C 3.59Å; E228-A244 WeakPolarHBondContact O-CA 3.47Å; E228-A245 HydrophobicContact CB-CB 4.44Å; E228-A245 PolarHBondContact N-O 2.63Å; E228-A245 PolarHBondContact O-N 2.87Å |
| 229 | L | 97.8 | Very high | 96.3 | Very high | 90 Ų | 90 | 85.5 Ų | 85.5 | 47% | 0.471 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 118.8 | -179.3 | -172.6 | 68.5 | 0 | 0 | 0 | 110.2 | L214 T227 K242 A244 | L214-L229 HydrophobicContact CB-CD1 4.27Å; T227-L229 HydrophobicContact CG2-CB 4.34Å; T227-L229 PolarHBondContact O-N 3.43Å; L229-K242 HydrophobicContact CD1-CD 4.49Å; L229-A244 HydrophobicContact CD1-CB 3.61Å |
| 230 | V | 97.6 | Very high | 96.4 | Very high | 33 Ų | 33 | 82 Ų | 82 | 20% | 0.2 | 47% | 0.469 | C | S | . | . | P | Polyproline II helix | trans | -82.9 | 153.7 | 175.2 | -65 | 0 | 0 | 0 | 0 | 112.1 | K242 W243 | V230-K242 HydrophobicContact CG2-CG 4.41Å; V230-K242 WeakPolarHBondContact O-CE 3.38Å; V230-K242 PolarHBondContact O-NZ 3.06Å; V230-W243 HydrophobicContact CB-CZ2 4.41Å; V230-W243 HydrophobicContact CG1-CD2 3.97Å; V230-W243 HydrophobicContact CG1-CE3 4.34Å; V230-W243 HydrophobicContact CG1-CH2 3.63Å; V230-W243 HydrophobicContact CG1-CZ2 3.16Å; V230-W243 HydrophobicContact CG1-CZ3 4.18Å; V230-W243 HydrophobicContact CG2-CD2 3.8Å; V230-W243 HydrophobicContact CG2-CG 3.75Å; V230-W243 HydrophobicContact CG2-CZ2 4.44Å; V230-W243 WeakPolarHBondContact CG2-O 3.12Å; V230-W243 PolarHBondContact N-O 3.49Å |
| 231 | E | 97.6 | Very high | 96.7 | Very high | 170 Ų | 170 | 81.8 Ų | 81.8 | 79% | 0.794 | 46% | 0.455 | S | S | * | . | P | Polyproline II helix | trans | -56.1 | 146.9 | 167.1 | -67.7 | -174.3 | 171.5 | 0 | 0 | 111.1 | R233 | E231-R233 PolarHBondContact O-N 3.4Š|
| 232 | T | 98.4 | Very high | 96.7 | Very high | 46 Ų | 46 | 75.8 Ų | 75.8 | 28% | 0.282 | 43% | 0.426 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 128.4 | 172 | -57.5 | 0 | 0 | 0 | 0 | 108.1 | F207 A210 F240 K242 | F207-T232 HydrophobicContact CE2-CG2 4.04Å; F207-T232 HydrophobicContact CZ-CG2 3.88Å; A210-T232 HydrophobicContact CB-CG2 4.33Å; T232-F240 HydrophobicContact CG2-CB 3.82Å; T232-F240 HydrophobicContact CG2-CD1 3.92Å; T232-F240 HydrophobicContact CG2-CG 4.13Å; T232-K242 WeakPolarHBondContact OG1-CD 3.37Å; T232-K242 PolarHBondContact OG1-NZ 3.28Å |
| 233 | R | 98.1 | Very high | 96.8 | Very high | 97 Ų | 97 | 72.6 Ų | 72.6 | 37% | 0.366 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 145.6 | -173.7 | 67.4 | -170.1 | -178 | -174.4 | 3.7 | 111.5 | E231 F240 Q241 | E231-R233 PolarHBondContact O-N 3.4Å; R233-F240 WeakPolarHBondContact O-CA 3.42Å; R233-Q241 HydrophobicContact CG-CG 3.53Å; R233-Q241 PolarHBondContact N-O 3.49Å; R233-Q241 WeakPolarHBondContact O-CG 3.36Å; R233-Q241 PolarHBondContact O-N 2.82Å |
| 234 | P | 97.8 | Very high | 96.9 | Very high | 94 Ų | 94 | 71.3 Ų | 71.3 | 61% | 0.61 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69 | 145.5 | 179.3 | 28.8 | -34.8 | 0 | 0 | 0 | 111.2 | F240 | P234-F240 HydrophobicContact CB-CE1 4.36Å |
| 235 | A | 97.4 | Very high | 97.1 | Very high | 50 Ų | 50 | 66.2 Ų | 66.2 | 41% | 0.413 | 37% | 0.37 | S | S | . | . | trans | -89.1 | -17.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113 | T239 | A235-T239 WeakPolarHBondContact CB-O 3.38Å; A235-T239 PolarHBondContact N-O 3.04Å | ||
| 236 | G | 95.1 | Very high | 97.3 | Very high | 79 Ų | 79 | 57.2 Ų | 57.2 | 81% | 0.814 | 33% | 0.328 | S | S | * | . | S | Bend | trans | 95.2 | -5.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 237 | D | 94.3 | Very high | 97.5 | Very high | 111 Ų | 111 | 55.4 Ų | 55.4 | 59% | 0.594 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -107.3 | 14.2 | 176.9 | 61.8 | 0.8 | 0 | 0 | 0 | 113 | T239 | D237-T239 WeakPolarHBondContact OD1-CB 3.38Å; D237-T239 PolarHBondContact OD1-N 3.12Å; D237-T239 PolarHBondContact OD1-OG1 3.28Å |
| 238 | G | 93.4 | Very high | 97.5 | Very high | 40 Ų | 40 | 54.2 Ų | 54.2 | 41% | 0.412 | 31% | 0.314 | S | S | . | . | S | Bend | trans | 84.6 | 6.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y208 | Y208-G238 VanDerWaalsContact CD2-O 3.31Å; Y208-G238 WeakPolarHBondContact CD2-O 3.3Å |
| 239 | T | 97.8 | Very high | 97.5 | Very high | 13 Ų | 13 | 50.9 Ų | 50.9 | 8% | 0.08 | 30% | 0.302 | C | S | . | . | trans | -110.3 | 172.8 | 171.4 | 73.8 | 0 | 0 | 0 | 0 | 112.3 | F207 A235 D237 | F207-T239 CarbonylContact O-C 3.57Å; F207-T239 WeakPolarHBondContact O-CA 3.1Å; A235-T239 WeakPolarHBondContact CB-O 3.38Å; A235-T239 PolarHBondContact N-O 3.04Å; D237-T239 WeakPolarHBondContact OD1-CB 3.38Å; D237-T239 PolarHBondContact OD1-N 3.12Å; D237-T239 PolarHBondContact OD1-OG1 3.28Å | ||
| 240 | F | 98.6 | Very high | 97.4 | Very high | 28 Ų | 28 | 49.4 Ų | 49.4 | 12% | 0.123 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 162.7 | -178.3 | -64.1 | -86.5 | 0 | 0 | 0 | 112.3 | D29 G206 F207 Y208 A210 T232 R233 P234 | D29-F240 HydrophobicContact CB-CE2 3.8Å; D29-F240 HydrophobicContact CB-CZ 3.77Å; G206-F240 PolarHBondContact N-O 3.47Å; F207-F240 VanDerWaalsContact CD1-O 3.29Å; F207-F240 WeakPolarHBondContact CD1-O 3.48Å; F207-F240 HydrophobicContact CD2-CB 3.91Å; F207-F240 HydrophobicContact CE1-CB 4.22Å; F207-F240 WeakPolarHBondContact CE1-O 3.39Å; F207-F240 HydrophobicContact CE2-CB 3.45Å; F207-F240 VanDerWaalsContact CE2-CB 3.45Å; F207-F240 HydrophobicContact CE2-CG 4.43Å; F207-F240 HydrophobicContact CG-CB 4.44Å; F207-F240 HydrophobicContact CZ-CB 3.61Å; F207-F240 PolarHBondContact N-O 3.5Å; F207-F240 PolarHBondContact O-N 2.77Å; Y208-F240 HydrophobicContact CD2-CD2 4.46Å; Y208-F240 HydrophobicContact CD2-CE2 4Å; Y208-F240 HydrophobicContact CE2-CE2 4.45Å; A210-F240 HydrophobicContact CB-CD1 3.78Å; A210-F240 HydrophobicContact CB-CD2 3.74Å; A210-F240 HydrophobicContact CB-CE1 3.69Å; A210-F240 HydrophobicContact CB-CE2 3.67Å; A210-F240 HydrophobicContact CB-CG 3.82Å; A210-F240 HydrophobicContact CB-CZ 3.66Å; T232-F240 HydrophobicContact CG2-CB 3.82Å; T232-F240 HydrophobicContact CG2-CD1 3.92Å; T232-F240 HydrophobicContact CG2-CG 4.13Å; R233-F240 WeakPolarHBondContact O-CA 3.42Å; P234-F240 HydrophobicContact CB-CE1 4.36Å |
| 241 | Q | 98.6 | Very high | 97.3 | Very high | 45 Ų | 45 | 51 Ų | 51 | 21% | 0.21 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 147 | 174 | 49 | 170.2 | -27.4 | 0 | 0 | 110.2 | A204 L205 R233 | A204-Q241 VanDerWaalsContact O-CA 3.32Å; A204-Q241 WeakPolarHBondContact O-CA 3.42Å; L205-Q241 HydrophobicContact CD2-CB 3.55Å; R233-Q241 HydrophobicContact CG-CG 3.53Å; R233-Q241 PolarHBondContact N-O 3.49Å; R233-Q241 WeakPolarHBondContact O-CG 3.36Å; R233-Q241 PolarHBondContact O-N 2.82Å |
| 242 | K | 98.8 | Very high | 97.2 | Very high | 21 Ų | 21 | 45.5 Ų | 45.5 | 9% | 0.091 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 154.3 | 176.6 | -162.2 | -176.7 | -171.9 | 70.1 | 0 | 109.2 | A204 F207 I212 L214 L229 V230 T232 | A204-K242 PolarHBondContact N-O 3.49Å; A204-K242 PolarHBondContact O-N 2.99Å; A204-K242 VanDerWaalsContact O-O 3.11Å; F207-K242 HydrophobicContact CE1-CB 4.34Å; F207-K242 HydrophobicContact CZ-CB 4.11Å; I212-K242 HydrophobicContact CG2-CB 4.29Å; I212-K242 HydrophobicContact CG2-CD 3.62Å; L214-K242 HydrophobicContact CD1-CD 4.21Å; L214-K242 HydrophobicContact CD2-CB 4.3Å; L214-K242 HydrophobicContact CD2-CD 4.48Å; L214-K242 HydrophobicContact CD2-CG 4.36Å; L229-K242 HydrophobicContact CD1-CD 4.49Å; V230-K242 HydrophobicContact CG2-CG 4.41Å; V230-K242 WeakPolarHBondContact O-CE 3.38Å; V230-K242 PolarHBondContact O-NZ 3.06Å; T232-K242 WeakPolarHBondContact OG1-CD 3.37Å; T232-K242 PolarHBondContact OG1-NZ 3.28Å |
| 243 | W | 98.6 | Very high | 97.2 | Very high | 25 Ų | 25 | 44.3 Ų | 44.3 | 10% | 0.095 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 156.2 | 168 | 59.6 | -98.6 | 0 | 0 | 0 | 111.5 | R201 C202 W203 E228 V230 A245 | R201-W243 HydrophobicContact CG-CB 3.98Å; R201-W243 HydrophobicContact CG-CD2 4.13Å; R201-W243 HydrophobicContact CG-CE3 3.91Å; R201-W243 HydrophobicContact CG-CG 4.21Å; C202-W243 CarbonylContact O-C 3.59Å; C202-W243 WeakPolarHBondContact O-CA 3.46Å; C202-W243 VanDerWaalsContact O-CB 3.26Å; C202-W243 WeakPolarHBondContact O-CB 3.28Å; W203-W243 HydrophobicContact CD2-CB 3.89Å; W203-W243 HydrophobicContact CD2-CG 4.43Å; W203-W243 HydrophobicContact CE3-CB 3.84Å; W203-W243 AromaticContact CE3-CD1 3.88Å; W203-W243 HydrophobicContact CE3-CG 4.19Å; W203-W243 HydrophobicContact CG-CB 4.34Å; W203-W243 AromaticContact CH2-CD1 3.52Å; W203-W243 HydrophobicContact CH2-CG 4.19Å; W203-W243 AromaticContact CH2-NE1 4Å; W203-W243 HydrophobicContact CZ2-CG 4.42Å; W203-W243 HydrophobicContact CZ3-CB 4.24Å; W203-W243 AromaticContact CZ3-CD1 3.38Å; W203-W243 HydrophobicContact CZ3-CG 4.09Å; E228-W243 HydrophobicContact CB-CZ3 4.16Å; E228-W243 HydrophobicContact CG-CH2 3.84Å; E228-W243 HydrophobicContact CG-CZ3 3.82Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.42Å; E228-W243 WeakPolarHBondContact OE2-CH2 3.26Å; V230-W243 HydrophobicContact CB-CZ2 4.41Å; V230-W243 HydrophobicContact CG1-CD2 3.97Å; V230-W243 HydrophobicContact CG1-CE3 4.34Å; V230-W243 HydrophobicContact CG1-CH2 3.63Å; V230-W243 HydrophobicContact CG1-CZ2 3.16Å; V230-W243 HydrophobicContact CG1-CZ3 4.18Å; V230-W243 HydrophobicContact CG2-CD2 3.8Å; V230-W243 HydrophobicContact CG2-CG 3.75Å; V230-W243 HydrophobicContact CG2-CZ2 4.44Å; V230-W243 WeakPolarHBondContact CG2-O 3.12Å; V230-W243 PolarHBondContact N-O 3.49Å; W243-A245 HydrophobicContact CE3-CB 3.92Å; W243-A245 HydrophobicContact CZ3-CB 3.64Å |
| 244 | A | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 133.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | R201 C202 L214 W216 T227 E228 L229 | R201-A244 WeakPolarHBondContact CA-O 3.36Å; C202-A244 PolarHBondContact N-O 3.19Å; C202-A244 PolarHBondContact O-N 3.31Å; L214-A244 HydrophobicContact CB-CB 4Å; L214-A244 HydrophobicContact CD2-CB 4.32Å; W216-A244 VanDerWaalsContact NE1-C 3.35Å; W216-A244 PolarHBondContact NE1-O 3.39Å; T227-A244 HydrophobicContact CG2-CB 3.92Å; E228-A244 CarbonylContact O-C 3.59Å; E228-A244 WeakPolarHBondContact O-CA 3.47Å; L229-A244 HydrophobicContact CD1-CB 3.61Å |
| 245 | A | 98.4 | Very high | 97.1 | Very high | 3 Ų | 3 | 45.2 Ų | 45.2 | 3% | 0.025 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 146.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | T199 L200 R201 T227 E228 W243 | T199-A245 HydrophobicContact CG2-CB 3.85Å; L200-A245 CarbonylContact O-C 3.58Å; L200-A245 WeakPolarHBondContact O-CA 3.42Å; R201-A245 HydrophobicContact CB-CB 3.97Å; R201-A245 HydrophobicContact CG-CB 4.1Å; T227-A245 CarbonylContact C-O 3.54Å; T227-A245 WeakPolarHBondContact CA-O 3.32Å; E228-A245 HydrophobicContact CB-CB 4.44Å; E228-A245 PolarHBondContact N-O 2.63Å; E228-A245 PolarHBondContact O-N 2.87Å; W243-A245 HydrophobicContact CE3-CB 3.92Å; W243-A245 HydrophobicContact CZ3-CB 3.64Å |
| 246 | V | 98.3 | Very high | 97.1 | Very high | 3 Ų | 3 | 43.3 Ų | 43.3 | 2% | 0.018 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 145.8 | 173.1 | -72.8 | 0 | 0 | 0 | 0 | 109.1 | T199 L200 W216 Q223 T227 V248 Y256 | T199-V246 WeakPolarHBondContact CA-O 3.5Å; L200-V246 HydrophobicContact CB-CG2 4.2Å; L200-V246 PolarHBondContact N-O 3.43Å; L200-V246 PolarHBondContact O-N 2.94Å; W216-V246 HydrophobicContact CB-CG1 3.71Å; W216-V246 HydrophobicContact CD2-CG1 4.28Å; W216-V246 HydrophobicContact CD2-CG2 3.63Å; W216-V246 HydrophobicContact CE3-CG2 3.97Å; W216-V246 HydrophobicContact CG-CB 4.41Å; W216-V246 HydrophobicContact CG-CG1 3.62Å; W216-V246 HydrophobicContact CG-CG2 3.89Å; W216-V246 HydrophobicContact CZ2-CG2 4.23Å; W216-V246 HydrophobicContact CZ3-CG2 4.41Å; Q223-V246 HydrophobicContact CB-CG1 4.41Å; T227-V246 WeakPolarHBondContact OG1-CG1 3.16Å; V246-V248 HydrophobicContact CB-CG1 4.38Å; V246-V248 HydrophobicContact CG2-CG1 3.75Å; V246-Y256 HydrophobicContact CG2-CD1 4.03Å; V246-Y256 HydrophobicContact CG2-CE1 4.43Å |
| 247 | V | 98.1 | Very high | 97.3 | Very high | 76 Ų | 76 | 39.9 Ų | 39.9 | 46% | 0.461 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 127.9 | 168 | 179.6 | 0 | 0 | 0 | 0 | 107.7 | I193 E197 A198 | I193-V247 HydrophobicContact CD1-CG1 3.96Å; I193-V247 HydrophobicContact CD1-CG2 3.96Å; E197-V247 HydrophobicContact CB-CG1 4.01Å; E197-V247 HydrophobicContact CG-CG1 4.23Å; A198-V247 WeakPolarHBondContact O-CA 3.36Å |
| 248 | V | 97.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 146.9 | -175.6 | -52.1 | 0 | 0 | 0 | 0 | 110.5 | E197 A198 L200 V246 E253 Y256 | E197-V248 VanDerWaalsContact CA-O 3.31Å; E197-V248 WeakPolarHBondContact CA-O 3.41Å; A198-V248 PolarHBondContact N-O 2.89Å; A198-V248 PolarHBondContact O-N 2.91Å; L200-V248 HydrophobicContact CD1-CG1 3.96Å; L200-V248 HydrophobicContact CD1-CG2 3.97Å; L200-V248 HydrophobicContact CG-CG1 4.18Å; L200-V248 HydrophobicContact CG-CG2 3.83Å; V246-V248 HydrophobicContact CB-CG1 4.38Å; V246-V248 HydrophobicContact CG2-CG1 3.75Å; V248-E253 HydrophobicContact CG2-CG 3.99Å; V248-Y256 HydrophobicContact CB-CD2 4.04Å; V248-Y256 HydrophobicContact CB-CE2 3.71Å; V248-Y256 HydrophobicContact CG1-CD1 3.73Å; V248-Y256 HydrophobicContact CG1-CD2 3.63Å; V248-Y256 HydrophobicContact CG1-CE1 3.64Å; V248-Y256 HydrophobicContact CG1-CE2 3.56Å; V248-Y256 HydrophobicContact CG1-CG 3.72Å |
| 249 | P | 97.4 | Very high | 97.7 | Very high | 45 Ų | 45 | 34.3 Ų | 34.3 | 29% | 0.292 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 140.4 | 171.1 | -19.7 | 32.2 | 0 | 0 | 0 | 111.6 | H196 G251 E252 | H196-P249 CarbonylContact O-C 3.59Å; H196-P249 WeakPolarHBondContact O-CA 3.41Å; P249-G251 PolarHBondContact O-N 2.69Å; P249-E252 HydrophobicContact CB-CB 4.3Å; P249-E252 HydrophobicContact CB-CG 4.09Å; P249-E252 HydrophobicContact CG-CG 4.46Å; P249-E252 WeakPolarHBondContact O-CB 3.35Å; P249-E252 PolarHBondContact O-N 3.03Å |
| 250 | S | 95.1 | Very high | 97.7 | Very high | 58 Ų | 58 | 33.7 Ų | 33.7 | 41% | 0.406 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | 127.1 | 174.5 | -62.5 | 0 | 0 | 0 | 0 | 110.8 | D195 H196 E197 | D195-S250 PolarHBondContact O-OG 2.98Å; D195-S250 VanDerWaalsContact O-OG 3.06Å; H196-S250 PolarHBondContact O-N 3.35Å; H196-S250 PolarHBondContact O-OG 2.83Å; E197-S250 PolarHBondContact N-OG 3.15Å |
| 251 | G | 95 | Very high | 97.7 | Very high | 68 Ų | 68 | 37.2 Ų | 37.2 | 70% | 0.701 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 89.1 | -5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115 | P249 E253 | P249-G251 PolarHBondContact O-N 2.69Å; G251-E253 WeakPolarHBondContact CA-OE2 3.48Å; G251-E253 VanDerWaalsContact N-CD 3.3Å; G251-E253 PolarHBondContact N-OE1 3.07Å; G251-E253 PolarHBondContact N-OE2 3.02Å |
| 252 | E | 97.1 | Very high | 97.7 | Very high | 53 Ų | 53 | 35.9 Ų | 35.9 | 25% | 0.248 | 20% | 0.196 | C | C | . | . | trans | -100.7 | 4.4 | 175.5 | -66.7 | -160.1 | -159.5 | 0 | 0 | 113.7 | R218 P249 Q254 R255 Y256 | R218-E252 IonicContact CZ-OE2 3.32Å; R218-E252 IonicContact NE-OE2 2.67Å; R218-E252 IonicContact NH2-OE1 3.52Å; R218-E252 IonicContact NH2-OE2 3.8Å; R218-E252 PolarHBondContact NH2-OE2 2.86Å; P249-E252 HydrophobicContact CB-CB 4.3Å; P249-E252 HydrophobicContact CB-CG 4.09Å; P249-E252 HydrophobicContact CG-CG 4.46Å; P249-E252 WeakPolarHBondContact O-CB 3.35Å; P249-E252 PolarHBondContact O-N 3.03Å; E252-Q254 PolarHBondContact O-N 3.4Å; E252-Q254 VanDerWaalsContact O-N 3.08Å; E252-R255 VanDerWaalsContact CD-NH1 3.32Å; E252-R255 VanDerWaalsContact O-CB 3.32Å; E252-R255 WeakPolarHBondContact O-CB 3.48Å; E252-R255 PolarHBondContact O-N 2.76Å; E252-R255 IonicContact OE1-NH1 3.71Å; E252-R255 IonicContact OE2-CZ 3.13Å; E252-R255 IonicContact OE2-NE 3.48Å; E252-R255 IonicContact OE2-NH1 3.76Å; E252-R255 PolarHBondContact OE2-NH1 3.5Å; E252-Y256 HydrophobicContact CB-CE2 4.39Å; E252-Y256 WeakPolarHBondContact O-CD2 3.27Å | ||
| 253 | E | 96.6 | Very high | 97.6 | Very high | 22 Ų | 22 | 41.8 Ų | 41.8 | 10% | 0.103 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -57.5 | -34.1 | -170 | -57.5 | 83 | 178.9 | 0 | 0 | 112.6 | H190 L200 V248 G251 R255 Y256 W273 | H190-E253 IonicContact NE2-OE1 2.75Å; L200-E253 HydrophobicContact CD1-CB 4.12Å; L200-E253 HydrophobicContact CD1-CG 4.5Å; L200-E253 HydrophobicContact CD2-CG 4.37Å; V248-E253 HydrophobicContact CG2-CG 3.99Å; G251-E253 WeakPolarHBondContact CA-OE2 3.48Å; G251-E253 VanDerWaalsContact N-CD 3.3Å; G251-E253 PolarHBondContact N-OE1 3.07Å; G251-E253 PolarHBondContact N-OE2 3.02Å; E253-R255 PolarHBondContact O-N 2.72Å; E253-Y256 PolarHBondContact O-N 2.89Å; E253-Y256 VanDerWaalsContact O-N 3.14Å; E253-W273 HydrophobicContact CB-CD2 4.5Å; E253-W273 HydrophobicContact CB-CE3 3.5Å; E253-W273 VanDerWaalsContact CB-CE3 3.5Å; E253-W273 HydrophobicContact CB-CZ3 4.03Å; E253-W273 HydrophobicContact CG-CE3 3.61Å; E253-W273 HydrophobicContact CG-CZ3 3.73Å |
| 254 | Q | 96.6 | Very high | 97.5 | Very high | 112 Ų | 112 | 41.5 Ų | 41.5 | 52% | 0.523 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -70.2 | -16.8 | 179.9 | -64.6 | -58.7 | -46.7 | 0 | 0 | 114.2 | E252 W273 | E252-Q254 PolarHBondContact O-N 3.4Å; E252-Q254 VanDerWaalsContact O-N 3.08Å; Q254-W273 PolarHBondContact NE2-O 3.36Å |
| 255 | R | 97.7 | Very high | 97.5 | Very high | 98 Ų | 98 | 42.7 Ų | 42.7 | 37% | 0.37 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -75.3 | -17.1 | 173.5 | -63.4 | 174.5 | 67.2 | 179.1 | 4.9 | 112.1 | R218 D219 E252 E253 | R218-R255 WeakPolarHBondContact CA-O 3.32Å; R218-R255 HydrophobicContact CG-CB 4.39Å; D219-R255 PolarHBondContact N-O 3.19Å; D219-R255 IonicContact OD1-NE 2.87Å; D219-R255 PolarHBondContact OD1-NE 2.74Å; D219-R255 IonicContact OD2-CZ 3.22Å; D219-R255 IonicContact OD2-NE 2.84Å; D219-R255 PolarHBondContact OD2-NE 3.45Å; D219-R255 IonicContact OD2-NH2 2.62Å; D219-R255 PolarHBondContact OD2-NH2 3.31Å; E252-R255 VanDerWaalsContact CD-NH1 3.32Å; E252-R255 VanDerWaalsContact O-CB 3.32Å; E252-R255 WeakPolarHBondContact O-CB 3.48Å; E252-R255 PolarHBondContact O-N 2.76Å; E252-R255 IonicContact OE1-NH1 3.71Å; E252-R255 IonicContact OE2-CZ 3.13Å; E252-R255 IonicContact OE2-NE 3.48Å; E252-R255 IonicContact OE2-NH1 3.76Å; E252-R255 PolarHBondContact OE2-NH1 3.5Å; E253-R255 PolarHBondContact O-N 2.72Å |
| 256 | Y | 98.1 | Very high | 97.4 | Very high | 9 Ų | 9 | 48.8 Ų | 48.8 | 4% | 0.035 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 132 | -176.6 | -68.4 | -99.6 | 0 | 0 | 0 | 111.4 | Q217 R218 Q223 V246 V248 E252 E253 | Q217-Y256 CarbonylContact O-C 3.59Å; Q217-Y256 VanDerWaalsContact O-CA 3.25Å; Q217-Y256 WeakPolarHBondContact O-CA 3.3Å; R218-Y256 HydrophobicContact CB-CD1 4.07Å; R218-Y256 HydrophobicContact CB-CE1 3.85Å; R218-Y256 WeakPolarHBondContact CD-OH 3.44Å; R218-Y256 HydrophobicContact CG-CD1 4.42Å; R218-Y256 HydrophobicContact CG-CD2 4.49Å; R218-Y256 HydrophobicContact CG-CE1 4.02Å; R218-Y256 HydrophobicContact CG-CE2 4.07Å; Q223-Y256 HydrophobicContact CG-CE1 4.45Å; V246-Y256 HydrophobicContact CG2-CD1 4.03Å; V246-Y256 HydrophobicContact CG2-CE1 4.43Å; V248-Y256 HydrophobicContact CB-CD2 4.04Å; V248-Y256 HydrophobicContact CB-CE2 3.71Å; V248-Y256 HydrophobicContact CG1-CD1 3.73Å; V248-Y256 HydrophobicContact CG1-CD2 3.63Å; V248-Y256 HydrophobicContact CG1-CE1 3.64Å; V248-Y256 HydrophobicContact CG1-CE2 3.56Å; V248-Y256 HydrophobicContact CG1-CG 3.72Å; E252-Y256 HydrophobicContact CB-CE2 4.39Å; E252-Y256 WeakPolarHBondContact O-CD2 3.27Å; E253-Y256 PolarHBondContact O-N 2.89Å; E253-Y256 VanDerWaalsContact O-N 3.14Å |
| 257 | T | 98.3 | Very high | 97.4 | Very high | 7 Ų | 7 | 56.6 Ų | 56.6 | 4% | 0.043 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 133.4 | 174.9 | 44.8 | 0 | 0 | 0 | 0 | 110.9 | W216 Q217 H259 T270 L271 R272 | W216-T257 WeakPolarHBondContact CA-O 3.48Å; W216-T257 VanDerWaalsContact CE3-C 3.4Å; W216-T257 VanDerWaalsContact CE3-O 3.31Å; Q217-T257 PolarHBondContact N-O 3.33Å; Q217-T257 PolarHBondContact O-N 3.28Å; T257-H259 WeakPolarHBondContact CB-NE2 3.19Å; T257-H259 PolarHBondContact OG1-NE2 2.89Å; T257-T270 HydrophobicContact CG2-CG2 3.81Å; T257-L271 CarbonylContact C-O 3.59Å; T257-L271 VanDerWaalsContact CA-O 3.31Å; T257-L271 WeakPolarHBondContact CA-O 3.49Å; T257-R272 HydrophobicContact CG2-CG 3.54Å |
| 258 | C | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 131.1 | 167.6 | 175 | 0 | 0 | 0 | 0 | 109.7 | C202 T215 W216 T270 L271 | C202-C258 HydrophobicContact CB-CB 3.48Å; C202-C258 VanDerWaalsContact CB-CB 3.48Å; C202-C258 WeakPolarHBondContact CB-SG 3.4Å; C202-C258 WeakPolarHBondContact SG-CB 3.23Å; C202-C258 CovalentContact SG-SG 2.03Å; C202-C258 PolarHBondContact SG-SG 3.39Å; T215-C258 CarbonylContact O-C 3.54Å; T215-C258 WeakPolarHBondContact O-CA 3.46Å; W216-C258 HydrophobicContact CD2-CB 4.21Å; W216-C258 HydrophobicContact CE3-CB 4.18Å; W216-C258 HydrophobicContact CH2-CB 4.03Å; W216-C258 HydrophobicContact CZ2-CB 4.06Å; W216-C258 HydrophobicContact CZ3-CB 4.07Å; C258-T270 CarbonylContact O-C 3.47Å; C258-T270 WeakPolarHBondContact O-CA 3.33Å; C258-L271 HydrophobicContact CB-CB 4.27Å; C258-L271 PolarHBondContact N-O 2.98Å; C258-L271 PolarHBondContact O-N 2.67Å |
| 259 | H | 98.4 | Very high | 97.4 | Very high | 34 Ų | 34 | 59.7 Ų | 59.7 | 16% | 0.157 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 129.8 | 177.2 | -64.3 | -108.9 | 0 | 0 | 0 | 109.7 | L214 T215 Q217 T257 L269 T270 | L214-H259 WeakPolarHBondContact CA-O 3.43Å; T215-H259 PolarHBondContact N-O 3.04Å; T215-H259 PolarHBondContact O-N 3.38Å; Q217-H259 PolarHBondContact OE1-CE1 3.15Å; Q217-H259 PolarHBondContact OE1-NE2 3.28Å; T257-H259 WeakPolarHBondContact CB-NE2 3.19Å; T257-H259 PolarHBondContact OG1-NE2 2.89Å; H259-L269 WeakPolarHBondContact CA-O 3.31Å; H259-T270 PolarHBondContact CE1-OG1 3.09Å; H259-T270 PolarHBondContact ND1-OG1 3.22Å |
| 260 | V | 98.6 | Very high | 97.4 | 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 | -123.4 | 122.8 | -177.7 | -174.3 | 0 | 0 | 0 | 0 | 109.6 | P184 T186 I212 T213 L214 L265 P268 L269 L271 | P184-V260 HydrophobicContact CG-CG1 3.89Å; T186-V260 HydrophobicContact CG2-CB 4.32Å; T186-V260 HydrophobicContact CG2-CG1 4.09Å; T186-V260 HydrophobicContact CG2-CG2 3.97Å; I212-V260 HydrophobicContact CD1-CG1 4.08Å; I212-V260 HydrophobicContact CG1-CG1 4.37Å; T213-V260 WeakPolarHBondContact O-CA 3.47Å; L214-V260 HydrophobicContact CD1-CG1 4.18Å; L214-V260 HydrophobicContact CG-CG2 4.35Å; V260-L265 HydrophobicContact CG1-CD1 4.21Å; V260-P268 WeakPolarHBondContact O-CA 3.36Å; V260-L269 HydrophobicContact CB-CB 4.35Å; V260-L269 PolarHBondContact N-O 2.77Å; V260-L269 PolarHBondContact O-N 3.29Å; V260-L271 HydrophobicContact CG2-CD1 3.79Å |
| 261 | Q | 98.6 | Very high | 97.5 | Very high | 103 Ų | 103 | 60.3 Ų | 60.3 | 48% | 0.481 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 131.5 | 173.7 | -54.2 | -176.6 | 9.7 | 0 | 0 | 109.7 | I212 T213 P268 | I212-Q261 VanDerWaalsContact CG1-O 3.28Å; I212-Q261 WeakPolarHBondContact CG1-O 3.33Å; T213-Q261 PolarHBondContact N-O 3.03Å; T213-Q261 PolarHBondContact O-N 3.43Å; Q261-P268 HydrophobicContact CG-CB 4.06Å; Q261-P268 HydrophobicContact CG-CG 4.11Å |
| 262 | H | 98.5 | Very high | 97.5 | Very high | 16 Ų | 16 | 64.4 Ų | 64.4 | 7% | 0.074 | 32% | 0.32 | C | S | . | . | trans | -156.5 | 145.8 | 179.6 | -177.3 | -98.6 | 0 | 0 | 0 | 108.6 | D182 P184 F207 Y208 P209 E211 I212 G264 L265 | D182-H262 PolarHBondContact O-CE1 2.72Å; P184-H262 HydrophobicContact CG-CB 4.04Å; F207-H262 AromaticContact CD2-CD2 3.85Å; F207-H262 AromaticContact CD2-NE2 3.77Å; Y208-H262 PolarHBondContact O-CE1 2.94Å; P209-H262 PolarHBondContact O-NE2 3.15Å; E211-H262 PolarHBondContact O-CD2 3.39Å; E211-H262 VanDerWaalsContact O-CD2 3.28Å; I212-H262 HydrophobicContact CD1-CB 4.42Å; I212-H262 HydrophobicContact CG1-CB 4.15Å; H262-G264 PolarHBondContact ND1-N 2.74Å; H262-G264 PolarHBondContact O-N 2.99Å; H262-L265 HydrophobicContact CB-CD1 3.98Å; H262-L265 HydrophobicContact CB-CG 4.15Å; H262-L265 WeakPolarHBondContact O-CB 3.42Å; H262-L265 PolarHBondContact O-N 2.98Å | ||
| 263 | E | 96.5 | Very high | 97.1 | Very high | 145 Ų | 145 | 69 Ų | 69 | 68% | 0.678 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -32.7 | -178 | -176.6 | 173.5 | 178.7 | 0 | 0 | 112.7 | T181 L265 | T181-E263 HydrophobicContact CG2-CB 4.12Å; T181-E263 HydrophobicContact CG2-CG 4.26Å; E263-L265 PolarHBondContact O-N 2.97Å |
| 264 | G | 96.2 | Very high | 97.1 | Very high | 19 Ų | 19 | 71.3 Ų | 71.3 | 20% | 0.196 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -8.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | H262 | H262-G264 PolarHBondContact ND1-N 2.74Å; H262-G264 PolarHBondContact O-N 2.99Å |
| 265 | L | 97.9 | Very high | 97.2 | Very high | 25 Ų | 25 | 69.2 Ų | 69.2 | 13% | 0.131 | 34% | 0.338 | C | S | . | . | trans | -93.5 | 126.4 | 177.2 | -66.7 | 171 | 0 | 0 | 0 | 110 | P183 P184 V260 H262 E263 K267 L269 | P183-L265 HydrophobicContact CB-CD2 3.9Å; P183-L265 HydrophobicContact CB-CG 4.44Å; P184-L265 HydrophobicContact CG-CD1 3.89Å; P184-L265 HydrophobicContact CG-CD2 4.46Å; P184-L265 HydrophobicContact CG-CG 4.24Å; V260-L265 HydrophobicContact CG1-CD1 4.21Å; H262-L265 HydrophobicContact CB-CD1 3.98Å; H262-L265 HydrophobicContact CB-CG 4.15Å; H262-L265 WeakPolarHBondContact O-CB 3.42Å; H262-L265 PolarHBondContact O-N 2.98Å; E263-L265 PolarHBondContact O-N 2.97Å; L265-K267 WeakPolarHBondContact CB-O 2.95Å; L265-K267 PolarHBondContact O-N 3.21Å; L265-L269 HydrophobicContact CD1-CD1 4.05Å; L265-L269 HydrophobicContact CD1-CG 3.93Å; L265-L269 HydrophobicContact CD2-CD1 3.77Å; L265-L269 HydrophobicContact CD2-CD2 4.49Å; L265-L269 HydrophobicContact CD2-CG 4Å | ||
| 266 | P | 96.9 | Very high | 97.1 | Very high | 132 Ų | 132 | 67.6 Ų | 67.6 | 86% | 0.857 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -65.7 | -24.3 | 177.3 | 27.1 | -34.7 | 0 | 0 | 0 | 112.5 | ||
| 267 | K | 97.1 | Very high | 97.1 | Very high | 166 Ų | 166 | 71 Ų | 71 | 72% | 0.722 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -147.8 | 150.2 | 173.2 | -62.9 | -176.3 | -177.4 | 177.8 | 0 | 109 | L265 | L265-K267 WeakPolarHBondContact CB-O 2.95Å; L265-K267 PolarHBondContact O-N 3.21Å |
| 268 | P | 97.6 | Very high | 97 | Very high | 81 Ų | 81 | 75 Ų | 75 | 53% | 0.526 | 37% | 0.373 | S | S | . | . | trans | -52.2 | 143.5 | 171.3 | -27.4 | 36.2 | 0 | 0 | 0 | 112.2 | V260 Q261 | V260-P268 WeakPolarHBondContact O-CA 3.36Å; Q261-P268 HydrophobicContact CG-CB 4.06Å; Q261-P268 HydrophobicContact CG-CG 4.11Å | ||
| 269 | L | 98.1 | Very high | 96.9 | Very high | 60 Ų | 60 | 80 Ų | 80 | 31% | 0.314 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 144.2 | 174.2 | -61 | 177.8 | 0 | 0 | 0 | 110.1 | T186 H259 V260 L265 | T186-L269 HydrophobicContact CG2-CD1 4.18Å; H259-L269 WeakPolarHBondContact CA-O 3.31Å; V260-L269 HydrophobicContact CB-CB 4.35Å; V260-L269 PolarHBondContact N-O 2.77Å; V260-L269 PolarHBondContact O-N 3.29Å; L265-L269 HydrophobicContact CD1-CD1 4.05Å; L265-L269 HydrophobicContact CD1-CG 3.93Å; L265-L269 HydrophobicContact CD2-CD1 3.77Å; L265-L269 HydrophobicContact CD2-CD2 4.49Å; L265-L269 HydrophobicContact CD2-CG 4Å |
| 270 | T | 98 | Very high | 96.8 | Very high | 83 Ų | 83 | 83.3 Ų | 83.3 | 51% | 0.509 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 121.5 | 169.7 | -59.4 | 0 | 0 | 0 | 0 | 108.3 | T257 C258 H259 | T257-T270 HydrophobicContact CG2-CG2 3.81Å; C258-T270 CarbonylContact O-C 3.47Å; C258-T270 WeakPolarHBondContact O-CA 3.33Å; H259-T270 PolarHBondContact CE1-OG1 3.09Å; H259-T270 PolarHBondContact ND1-OG1 3.22Å |
| 271 | L | 96.7 | Very high | 96.7 | Very high | 34 Ų | 34 | 89.7 Ų | 89.7 | 18% | 0.178 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 143.9 | -175.1 | -60.7 | 141.1 | 0 | 0 | 0 | 109.5 | T186 M188 T257 C258 V260 | T186-L271 HydrophobicContact CG2-CD1 4.13Å; M188-L271 HydrophobicContact CG-CB 4.37Å; M188-L271 HydrophobicContact SD-CB 3.88Å; T257-L271 CarbonylContact C-O 3.59Å; T257-L271 VanDerWaalsContact CA-O 3.31Å; T257-L271 WeakPolarHBondContact CA-O 3.49Å; C258-L271 HydrophobicContact CB-CB 4.27Å; C258-L271 PolarHBondContact N-O 2.98Å; C258-L271 PolarHBondContact O-N 2.67Å; V260-L271 HydrophobicContact CG2-CD1 3.79Å |
| 272 | R | 94.7 | Very high | 96.5 | Very high | 153 Ų | 153 | 88.6 Ų | 88.6 | 58% | 0.577 | 44% | 0.444 | S | S | * | . | trans | -129.8 | 160.2 | 169.2 | -69.3 | -171.6 | 176.7 | 123.1 | 4.2 | 108.7 | T257 | T257-R272 HydrophobicContact CG2-CG 3.54Š| ||
| 273 | W | 90.2 | Very high | 96.3 | Very high | 149 Ų | 149 | 95.2 Ų | 95.2 | 56% | 0.564 | 48% | 0.477 | S | S | * | . | trans | -71.2 | 0 | 173.4 | -177.7 | 45.7 | 0 | 0 | 0 | 110.9 | M188 H190 L200 E253 Q254 | M188-W273 HydrophobicContact CE-CB 3.52Å; H190-W273 HydrophobicContact CB-CD2 4.14Å; H190-W273 HydrophobicContact CB-CG 4.32Å; H190-W273 HydrophobicContact CB-CZ2 3.97Å; H190-W273 AromaticContact CG-CE2 3.71Å; H190-W273 AromaticContact CG-CZ2 3.66Å; H190-W273 AromaticContact ND1-CZ2 3.75Å; L200-W273 HydrophobicContact CD2-CB 4.07Å; L200-W273 HydrophobicContact CD2-CD2 4.49Å; L200-W273 HydrophobicContact CD2-CG 4.16Å; E253-W273 HydrophobicContact CB-CD2 4.5Å; E253-W273 HydrophobicContact CB-CE3 3.5Å; E253-W273 VanDerWaalsContact CB-CE3 3.5Å; E253-W273 HydrophobicContact CB-CZ3 4.03Å; E253-W273 HydrophobicContact CG-CE3 3.61Å; E253-W273 HydrophobicContact CG-CZ3 3.73Å; Q254-W273 PolarHBondContact NE2-O 3.36Å |
Retrieved 273 of 273 residues in 301.4 ms
(Link to these results)