| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | S | 93.2 | Very high | 97.8 | Very high | 108 Ų | 108 | 37.2 Ų | 37.2 | 76% | 0.755 | 20% | 0.202 | S | C | * | . | 0 | 161.3 | 0 | 38.3 | 0 | 0 | 0 | 0 | 107.4 | V102 | S1-V102 WeakPolarHBondContact CA-O 3.48Å; S1-V102 VanDerWaalsContact CB-O 3.3Å; S1-V102 WeakPolarHBondContact CB-O 3.3Å | |||
| 2 | H | 96.9 | Very high | 97.8 | Very high | 41 Ų | 41 | 35.5 Ų | 35.5 | 19% | 0.19 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 162.7 | -179 | -65.2 | -75.1 | 0 | 0 | 0 | 110.8 | D28 D101 V102 L167 L171 | H2-D28 VanDerWaalsContact CA-OD1 3.25Å; H2-D28 WeakPolarHBondContact CA-OD1 3.34Å; H2-D28 IonicContact CE1-OD2 2.8Å; H2-D28 IonicContact CG-OD2 2.78Å; H2-D28 IonicContact ND1-OD1 3.08Å; H2-D28 IonicContact ND1-OD2 3.55Å; H2-D28 PolarHBondContact ND1-OD2 2.92Å; H2-D101 CarbonylContact O-C 3.58Å; H2-D101 WeakPolarHBondContact O-CA 3.18Å; H2-V102 HydrophobicContact CB-CG2 3.98Å; H2-V102 PolarHBondContact N-O 3.44Å; H2-V102 PolarHBondContact O-N 2.92Å; H2-L167 HydrophobicContact CB-CD1 4.46Å; H2-L171 HydrophobicContact CB-CD1 3.64Å; H2-L171 HydrophobicContact CB-CD2 3.97Å; H2-L171 HydrophobicContact CB-CG 4.38Å |
| 3 | S | 97.8 | Very high | 97.7 | Very high | 9 Ų | 9 | 37.8 Ų | 37.8 | 6% | 0.063 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 146.5 | -175.4 | 56.7 | 0 | 0 | 0 | 0 | 111.6 | R5 V27 D28 C100 D101 | S3-R5 VanDerWaalsContact CB-CZ 3.48Å; S3-R5 PolarHBondContact OG-NH1 2.94Å; S3-R5 PolarHBondContact OG-NH2 3.35Å; S3-V27 CarbonylContact O-C 3.57Å; S3-V27 WeakPolarHBondContact O-CA 3.37Å; S3-D28 PolarHBondContact N-OD1 3.14Å; S3-D28 PolarHBondContact O-N 3.44Å; S3-D28 PolarHBondContact OG-OD1 3.45Å; S3-C100 WeakPolarHBondContact CA-O 3.4Å; S3-D101 WeakPolarHBondContact CB-OD1 3.31Å |
| 4 | M | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 125.2 | 168.6 | -173.9 | 170.6 | 61.4 | 0 | 0 | 108.5 | Y6 Y26 V27 F32 G99 C100 C163 W166 L167 Y170 | M4-Y6 HydrophobicContact CE-CE2 4.08Å; M4-Y6 HydrophobicContact CG-CE2 4.08Å; M4-Y6 HydrophobicContact SD-CE2 3.98Å; M4-Y26 CarbonylContact C-O 3.46Å; M4-Y26 WeakPolarHBondContact CA-O 3.3Å; M4-V27 HydrophobicContact CG-CG2 4.37Å; M4-F32 HydrophobicContact CG-CE1 4.37Å; M4-F32 HydrophobicContact CG-CZ 4.47Å; M4-F32 HydrophobicContact SD-CZ 4.19Å; M4-G99 CarbonylContact O-C 3.59Å; M4-G99 WeakPolarHBondContact O-CA 3.36Å; M4-C100 PolarHBondContact N-O 2.83Å; M4-C100 PolarHBondContact O-N 2.92Å; M4-C163 HydrophobicContact CE-CB 4.15Å; M4-C163 VanDerWaalsContact CE-O 3.28Å; M4-C163 WeakPolarHBondContact CE-O 3.28Å; M4-C163 WeakPolarHBondContact CE-SG 3.48Å; M4-W166 HydrophobicContact CE-CB 3.99Å; M4-W166 HydrophobicContact SD-CB 4.4Å; M4-L167 HydrophobicContact CB-CB 4.12Å; M4-L167 HydrophobicContact CB-CD1 4.04Å; M4-L167 HydrophobicContact CB-CD2 4.14Å; M4-L167 HydrophobicContact CB-CG 4.31Å; M4-Y170 HydrophobicContact SD-CD2 3.75Å; M4-Y170 HydrophobicContact SD-CE2 3.57Å; M4-Y170 VanDerWaalsContact SD-CE2 3.57Å |
| 5 | R | 98.4 | Very high | 96.9 | Very high | 67 Ų | 67 | 42.3 Ų | 42.3 | 25% | 0.253 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 134.3 | -177.6 | -59.6 | -171.4 | -176.4 | 88.6 | 11.8 | 111.2 | S3 F7 G25 Y26 Y98 D101 | S3-R5 VanDerWaalsContact CB-CZ 3.48Å; S3-R5 PolarHBondContact OG-NH1 2.94Å; S3-R5 PolarHBondContact OG-NH2 3.35Å; R5-F7 HydrophobicContact CB-CD2 4.48Å; R5-F7 HydrophobicContact CB-CE2 3.66Å; R5-F7 HydrophobicContact CB-CZ 4.03Å; R5-G25 CarbonylContact O-C 3.54Å; R5-G25 WeakPolarHBondContact O-CA 3.4Å; R5-Y26 PolarHBondContact N-O 2.92Å; R5-Y26 PolarHBondContact O-N 3.39Å; R5-Y98 WeakPolarHBondContact CA-O 3.45Å; R5-D101 IonicContact CZ-OD1 3.71Å; R5-D101 IonicContact NH2-OD1 3.63Å; R5-D101 PolarHBondContact NH2-OD1 3.48Å; R5-D101 IonicContact NH2-OD2 3.02Å |
| 6 | Y | 98.6 | Very high | 96.6 | Very high | 8 Ų | 8 | 53.3 Ų | 53.3 | 3% | 0.031 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 137.9 | 170.8 | -69.3 | -84.8 | 0 | 0 | 0 | 109.6 | M4 F8 V24 F32 V33 M97 Y98 | M4-Y6 HydrophobicContact CE-CE2 4.08Å; M4-Y6 HydrophobicContact CG-CE2 4.08Å; M4-Y6 HydrophobicContact SD-CE2 3.98Å; Y6-F8 HydrophobicContact CD1-CE1 4.47Å; Y6-V24 CarbonylContact C-O 3.55Å; Y6-V24 WeakPolarHBondContact CA-O 3.32Å; Y6-F32 AromaticContact CE1-CZ 3.89Å; Y6-F32 HydrophobicContact CE1-CZ 3.89Å; Y6-F32 AromaticContact CZ-CZ 3.7Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.25Å; Y6-V33 HydrophobicContact CE1-CG2 3.93Å; Y6-M97 WeakPolarHBondContact O-CA 3.49Å; Y6-Y98 AromaticContact CD2-CE2 3.89Å; Y6-Y98 HydrophobicContact CD2-CE2 3.89Å; Y6-Y98 AromaticContact CD2-CZ 3.94Å; Y6-Y98 HydrophobicContact CG-CE1 4.43Å; Y6-Y98 HydrophobicContact CG-CE2 4.4Å; Y6-Y98 AromaticContact CG-CZ 4Å; Y6-Y98 PolarHBondContact N-O 3.2Å; Y6-Y98 PolarHBondContact O-N 3.27Å |
| 7 | F | 98.7 | Very high | 96.3 | Very high | 82 Ų | 82 | 53.6 Ų | 53.6 | 36% | 0.36 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 122 | 177.3 | -57.9 | -96.7 | 0 | 0 | 0 | 109.4 | R5 A23 V24 Y26 I96 M97 | R5-F7 HydrophobicContact CB-CD2 4.48Å; R5-F7 HydrophobicContact CB-CE2 3.66Å; R5-F7 HydrophobicContact CB-CZ 4.03Å; F7-A23 WeakPolarHBondContact O-CA 3.47Å; F7-V24 HydrophobicContact CB-CG2 3.83Å; F7-V24 HydrophobicContact CD2-CG2 4.33Å; F7-V24 PolarHBondContact N-O 2.9Å; F7-V24 PolarHBondContact O-N 2.85Å; F7-Y26 HydrophobicContact CD2-CD2 4.18Å; F7-Y26 HydrophobicContact CE2-CD2 4.22Å; F7-I96 CarbonylContact C-O 3.54Å; F7-I96 VanDerWaalsContact CA-O 3.28Å; F7-I96 WeakPolarHBondContact CA-O 3.29Å; F7-M97 HydrophobicContact CD1-CB 3.87Å; F7-M97 HydrophobicContact CD1-CG 3.67Å; F7-M97 HydrophobicContact CE1-CB 3.98Å; F7-M97 HydrophobicContact CE1-CG 3.34Å; F7-M97 HydrophobicContact CZ-CG 3.93Å |
| 8 | F | 98.6 | Very high | 96.2 | Very high | 1 Ų | 1 | 55.8 Ų | 55.8 | 0% | 0.004 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 143.7 | 174.9 | -50.5 | -22.6 | 0 | 0 | 0 | 109.9 | Y6 F21 I22 A23 M66 H69 Q95 I96 Y98 | Y6-F8 HydrophobicContact CD1-CE1 4.47Å; F8-F21 HydrophobicContact CB-CE2 3.93Å; F8-F21 HydrophobicContact CB-CZ 4.02Å; F8-F21 HydrophobicContact CD1-CZ 4.25Å; F8-F21 HydrophobicContact CD2-CE2 4.32Å; F8-F21 HydrophobicContact CD2-CZ 4.07Å; F8-F21 HydrophobicContact CG-CE2 4.2Å; F8-F21 AromaticContact CG-CZ 3.87Å; F8-F21 HydrophobicContact CG-CZ 3.87Å; F8-I22 CarbonylContact C-O 3.51Å; F8-I22 WeakPolarHBondContact CA-O 3.45Å; F8-A23 HydrophobicContact CD1-CB 3.29Å; F8-A23 HydrophobicContact CE1-CB 3.54Å; F8-A23 HydrophobicContact CG-CB 4.24Å; F8-M66 HydrophobicContact CE1-CE 4.25Å; F8-M66 HydrophobicContact CE1-SD 3.8Å; F8-M66 HydrophobicContact CE2-CE 4.46Å; F8-M66 HydrophobicContact CZ-CE 3.7Å; F8-M66 HydrophobicContact CZ-SD 3.8Å; F8-H69 HydrophobicContact CE2-CB 4.48Å; F8-H69 AromaticContact CE2-CD2 3.68Å; F8-Q95 WeakPolarHBondContact O-CA 3.41Å; F8-I96 HydrophobicContact CB-CB 4.2Å; F8-I96 HydrophobicContact CD2-CB 4.48Å; F8-I96 HydrophobicContact CD2-CG2 4.39Å; F8-I96 PolarHBondContact N-O 3.18Å; F8-I96 PolarHBondContact O-N 2.93Å; F8-Y98 HydrophobicContact CD2-CE1 4.3Å; F8-Y98 HydrophobicContact CE1-CE1 4.15Å; F8-Y98 AromaticContact CE2-CE1 3.54Å; F8-Y98 HydrophobicContact CE2-CE1 3.54Å; F8-Y98 AromaticContact CZ-CE1 3.44Å; F8-Y98 HydrophobicContact CZ-CE1 3.44Å; F8-Y98 VanDerWaalsContact CZ-CE1 3.44Å; F8-Y98 AromaticContact CZ-CZ 3.84Å; F8-Y98 VanDerWaalsContact CZ-OH 3.31Å; F8-Y98 WeakPolarHBondContact CZ-OH 3.26Å |
| 9 | T | 98.8 | Very high | 96.2 | Very high | 44 Ų | 44 | 54.2 Ų | 54.2 | 27% | 0.27 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 123.1 | 175.4 | -58.1 | 0 | 0 | 0 | 0 | 109.4 | V11 F21 I22 T93 I94 Q95 | T9-V11 HydrophobicContact CG2-CG2 4.05Å; T9-F21 WeakPolarHBondContact O-CA 3.47Å; T9-I22 PolarHBondContact N-O 3.44Å; T9-I22 PolarHBondContact O-N 2.96Å; T9-T93 HydrophobicContact CG2-CG2 3.99Å; T9-I94 WeakPolarHBondContact CA-O 3.4Å; T9-Q95 HydrophobicContact CG2-CG 4.13Å |
| 10 | S | 98.6 | Very high | 96.3 | Very high | 2 Ų | 2 | 55.9 Ų | 55.9 | 1% | 0.014 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 116.6 | -179 | -69.1 | 0 | 0 | 0 | 0 | 109.7 | R20 F21 D73 T93 I94 | S10-R20 CarbonylContact C-O 3.54Å; S10-R20 VanDerWaalsContact CA-O 3.29Å; S10-R20 WeakPolarHBondContact CA-O 3.32Å; S10-F21 WeakPolarHBondContact OG-CD2 3.44Å; S10-D73 WeakPolarHBondContact OG-CB 3.18Å; S10-D73 PolarHBondContact OG-OD2 3.04Å; S10-T93 CarbonylContact O-C 3.55Å; S10-T93 VanDerWaalsContact O-CA 3.27Å; S10-T93 WeakPolarHBondContact O-CA 3.4Å; S10-I94 PolarHBondContact N-O 3.18Å; S10-I94 PolarHBondContact O-N 3.03Å |
| 11 | V | 98.4 | Very high | 96.4 | Very high | 47 Ų | 47 | 53.3 Ų | 53.3 | 29% | 0.285 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 113.6 | -177.6 | -172.8 | 0 | 0 | 0 | 0 | 109.1 | T9 P19 R20 T93 | T9-V11 HydrophobicContact CG2-CG2 4.05Å; V11-P19 CarbonylContact O-C 3.53Å; V11-P19 WeakPolarHBondContact O-CA 3.38Å; V11-P19 WeakPolarHBondContact O-CB 3.39Å; V11-R20 PolarHBondContact N-O 3.23Å; V11-R20 PolarHBondContact O-N 2.87Å; V11-T93 HydrophobicContact CG2-CG2 4.16Å |
| 12 | S | 97.6 | Very high | 96.6 | Very high | 17 Ų | 17 | 50.1 Ų | 50.1 | 12% | 0.119 | 27% | 0.271 | C | S | . | . | trans | -67.4 | 146.8 | 173 | 54.2 | 0 | 0 | 0 | 0 | 111.2 | S91 H92 | S12-S91 PolarHBondContact O-OG 3.36Å; S12-H92 PolarHBondContact N-O 3.37Å; S12-H92 WeakPolarHBondContact OG-CA 3.32Å; S12-H92 PolarHBondContact OG-N 3.45Å; S12-H92 PolarHBondContact OG-O 2.82Å | ||
| 13 | R | 96.1 | Very high | 96.7 | Very high | 65 Ų | 65 | 48.2 Ų | 48.2 | 25% | 0.245 | 26% | 0.263 | C | S | . | . | trans | -134.2 | 71.5 | -174.1 | -62.2 | -176.9 | -73.8 | -164.4 | -9.7 | 111.1 | G15 R16 E18 D38 | R13-G15 PolarHBondContact O-N 3.46Å; R13-R16 HydrophobicContact CB-CB 4.12Å; R13-R16 PolarHBondContact O-N 2.9Å; R13-E18 PolarHBondContact NE-O 3.31Å; R13-E18 PolarHBondContact NH2-O 2.88Å; R13-D38 IonicContact CZ-OD1 3.92Å; R13-D38 IonicContact CZ-OD2 3.56Å; R13-D38 IonicContact NH1-OD1 3.61Å; R13-D38 PolarHBondContact NH1-OD1 3.49Å; R13-D38 IonicContact NH1-OD2 2.77Å; R13-D38 PolarHBondContact NH1-OD2 2.88Å; R13-D38 IonicContact NH2-OD1 3.63Å; R13-D38 PolarHBondContact NH2-OD1 3.43Å; R13-D38 IonicContact NH2-OD2 3.31Å | ||
| 14 | P | 92.4 | Very high | 96.8 | Very high | 54 Ų | 54 | 49 Ų | 49 | 35% | 0.351 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.4 | 126.5 | -177.1 | -25.9 | 33.4 | 0 | 0 | 0 | 112.3 | R16 E88 G90 | P14-R16 PolarHBondContact O-N 3.34Å; P14-E88 WeakPolarHBondContact CB-O 3.23Å; P14-E88 WeakPolarHBondContact CG-O 2.96Å; P14-G90 WeakPolarHBondContact CG-O 3.04Å |
| 15 | G | 90.6 | Very high | 96.8 | Very high | 90 Ų | 90 | 49 Ų | 49 | 93% | 0.928 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.8 | 4.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | R13 | R13-G15 PolarHBondContact O-N 3.46Š|
| 16 | R | 92.5 | Very high | 96.8 | Very high | 217 Ų | 217 | 49.1 Ų | 49.1 | 82% | 0.819 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -125.8 | 23.9 | -179.1 | -59.8 | -176.7 | -179.2 | -177.5 | 0.7 | 113.4 | R13 P14 | R13-R16 HydrophobicContact CB-CB 4.12Å; R13-R16 PolarHBondContact O-N 2.9Å; P14-R16 PolarHBondContact O-N 3.34Å |
| 17 | G | 91.4 | Very high | 96.8 | Very high | 59 Ų | 59 | 48.8 Ų | 48.8 | 61% | 0.608 | 27% | 0.266 | S | S | * | . | S | Bend | trans | 96.5 | -157.6 | 178 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 18 | E | 93.9 | Very high | 96.6 | Very high | 94 Ų | 94 | 46.1 Ų | 46.1 | 44% | 0.439 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -69.5 | 155.5 | -177.3 | -64.7 | -60.4 | 166.4 | 0 | 0 | 112.6 | R13 R20 R74 | R13-E18 PolarHBondContact NE-O 3.31Å; R13-E18 PolarHBondContact NH2-O 2.88Å; E18-R20 PolarHBondContact O-N 3.21Å; E18-R74 IonicContact OE1-CZ 3.71Å; E18-R74 IonicContact OE1-NH1 3.95Å; E18-R74 PolarHBondContact OE1-NH1 2.99Å; E18-R74 IonicContact OE1-NH2 2.95Å; E18-R74 PolarHBondContact OE1-NH2 2.92Å; E18-R74 WeakPolarHBondContact OE2-CD 3.32Å; E18-R74 IonicContact OE2-CZ 2.74Å; E18-R74 IonicContact OE2-NE 3.5Å; E18-R74 PolarHBondContact OE2-NE 3.29Å; E18-R74 IonicContact OE2-NH1 2.76Å; E18-R74 PolarHBondContact OE2-NH1 2.81Å; E18-R74 VanDerWaalsContact OE2-NH1 3.08Å; E18-R74 IonicContact OE2-NH2 3.82Å; E18-R74 PolarHBondContact OE2-NH2 2.87Å |
| 19 | P | 96.6 | Very high | 96.5 | Very high | 25 Ų | 25 | 49.1 Ų | 49.1 | 16% | 0.162 | 27% | 0.272 | C | S | . | . | P | Polyproline II helix | trans | -52.9 | 139.9 | 169.9 | -25.3 | 35.3 | 0 | 0 | 0 | 111.7 | V11 R74 L77 | V11-P19 CarbonylContact O-C 3.53Å; V11-P19 WeakPolarHBondContact O-CA 3.38Å; V11-P19 WeakPolarHBondContact O-CB 3.39Å; P19-R74 HydrophobicContact CG-CB 4.35Å; P19-R74 HydrophobicContact CG-CG 4.15Å; P19-L77 HydrophobicContact CB-CD1 3.6Å; P19-L77 HydrophobicContact CG-CD1 3.73Å |
| 20 | R | 98 | Very high | 96.3 | Very high | 88 Ų | 88 | 48.1 Ų | 48.1 | 33% | 0.332 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 128.1 | 171.3 | -169.1 | 175.6 | 179.5 | -177.2 | -1.8 | 108.6 | S10 V11 E18 I22 D36 D38 | S10-R20 CarbonylContact C-O 3.54Å; S10-R20 VanDerWaalsContact CA-O 3.29Å; S10-R20 WeakPolarHBondContact CA-O 3.32Å; V11-R20 PolarHBondContact N-O 3.23Å; V11-R20 PolarHBondContact O-N 2.87Å; E18-R20 PolarHBondContact O-N 3.21Å; R20-I22 HydrophobicContact CG-CG1 4.26Å; R20-D36 IonicContact CZ-OD1 4Å; R20-D36 IonicContact CZ-OD2 2.82Å; R20-D36 IonicContact NE-OD1 2.93Å; R20-D36 PolarHBondContact NE-OD1 2.95Å; R20-D36 VanDerWaalsContact NE-OD1 3.14Å; R20-D36 IonicContact NE-OD2 2.68Å; R20-D36 IonicContact NH2-OD1 3.1Å; R20-D36 IonicContact NH2-OD2 3.85Å; R20-D36 PolarHBondContact NH2-OD2 2.94Å; R20-D38 VanDerWaalsContact CD-OD2 3.28Å; R20-D38 WeakPolarHBondContact CD-OD2 3.25Å; R20-D38 IonicContact NE-OD2 3.34Å |
| 21 | F | 98.6 | Very high | 96.3 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 0% | 0.004 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 125.5 | 173.7 | 177.1 | -88.3 | 0 | 0 | 0 | 109.5 | F8 T9 S10 A23 F35 S37 M66 H69 S70 D73 | F8-F21 HydrophobicContact CB-CE2 3.93Å; F8-F21 HydrophobicContact CB-CZ 4.02Å; F8-F21 HydrophobicContact CD1-CZ 4.25Å; F8-F21 HydrophobicContact CD2-CE2 4.32Å; F8-F21 HydrophobicContact CD2-CZ 4.07Å; F8-F21 HydrophobicContact CG-CE2 4.2Å; F8-F21 AromaticContact CG-CZ 3.87Å; F8-F21 HydrophobicContact CG-CZ 3.87Å; T9-F21 WeakPolarHBondContact O-CA 3.47Å; S10-F21 WeakPolarHBondContact OG-CD2 3.44Å; F21-A23 HydrophobicContact CE1-CB 3.68Å; F21-A23 HydrophobicContact CZ-CB 3.98Å; F21-F35 AromaticContact CD1-CD1 3.69Å; F21-F35 HydrophobicContact CD1-CD1 3.69Å; F21-F35 AromaticContact CD1-CE1 3.85Å; F21-F35 HydrophobicContact CD1-CE1 3.85Å; F21-F35 AromaticContact CE1-CD1 3.95Å; F21-F35 HydrophobicContact CE1-CD1 3.95Å; F21-F35 HydrophobicContact CE1-CE1 4.37Å; F21-S37 PolarHBondContact N-OG 3.31Å; F21-S37 PolarHBondContact O-N 3.39Å; F21-S37 PolarHBondContact O-OG 3.47Å; F21-M66 HydrophobicContact CE1-CB 4.36Å; F21-M66 HydrophobicContact CE1-SD 4.3Å; F21-M66 HydrophobicContact CZ-SD 4.43Å; F21-H69 HydrophobicContact CE2-CB 4.26Å; F21-H69 HydrophobicContact CZ-CB 4.02Å; F21-S70 WeakPolarHBondContact CB-OG 3.35Å; F21-D73 HydrophobicContact CD2-CB 4.41Å |
| 22 | I | 98.7 | Very high | 96.2 | Very high | 41 Ų | 41 | 48.1 Ų | 48.1 | 21% | 0.21 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 131.3 | 173.8 | -57.9 | 173.6 | 0 | 0 | 0 | 107.7 | F8 T9 R20 V24 F35 | F8-I22 CarbonylContact C-O 3.51Å; F8-I22 WeakPolarHBondContact CA-O 3.45Å; T9-I22 PolarHBondContact N-O 3.44Å; T9-I22 PolarHBondContact O-N 2.96Å; R20-I22 HydrophobicContact CG-CG1 4.26Å; I22-V24 HydrophobicContact CG2-CG1 4.42Å; I22-F35 WeakPolarHBondContact CA-O 3.4Å |
| 23 | A | 98.6 | Very high | 96.3 | Very high | 2 Ų | 2 | 47.4 Ų | 47.4 | 2% | 0.017 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 140 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | F7 F8 F21 R34 F35 M66 | F7-A23 WeakPolarHBondContact O-CA 3.47Å; F8-A23 HydrophobicContact CD1-CB 3.29Å; F8-A23 HydrophobicContact CE1-CB 3.54Å; F8-A23 HydrophobicContact CG-CB 4.24Å; F21-A23 HydrophobicContact CE1-CB 3.68Å; F21-A23 HydrophobicContact CZ-CB 3.98Å; A23-R34 CarbonylContact O-C 3.58Å; A23-R34 VanDerWaalsContact O-CA 3.31Å; A23-R34 WeakPolarHBondContact O-CA 3.3Å; A23-F35 HydrophobicContact CB-CB 4.23Å; A23-F35 PolarHBondContact N-O 3.33Å; A23-F35 PolarHBondContact O-N 3.01Å; A23-M66 HydrophobicContact CB-SD 3.58Å; A23-M66 VanDerWaalsContact CB-SD 3.58Å |
| 24 | V | 98.8 | Very high | 96.4 | Very high | 25 Ų | 25 | 47.3 Ų | 47.3 | 15% | 0.152 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 143 | 173.9 | -62.8 | 0 | 0 | 0 | 0 | 109.9 | Y6 F7 I22 Y26 Q31 V33 R34 | Y6-V24 CarbonylContact C-O 3.55Å; Y6-V24 WeakPolarHBondContact CA-O 3.32Å; F7-V24 HydrophobicContact CB-CG2 3.83Å; F7-V24 HydrophobicContact CD2-CG2 4.33Å; F7-V24 PolarHBondContact N-O 2.9Å; F7-V24 PolarHBondContact O-N 2.85Å; I22-V24 HydrophobicContact CG2-CG1 4.42Å; V24-Y26 HydrophobicContact CB-CE2 4.07Å; V24-Y26 HydrophobicContact CG2-CD2 4.35Å; V24-Y26 HydrophobicContact CG2-CE2 3.8Å; V24-Q31 VanDerWaalsContact CG1-NE2 3.26Å; V24-V33 WeakPolarHBondContact CA-O 3.43Å; V24-R34 HydrophobicContact CG1-CB 4.49Å; V24-R34 HydrophobicContact CG1-CG 4.21Å |
| 25 | G | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 138.3 | 176 | 0 | 0 | 0 | 0 | 0 | 110.7 | R5 Q31 F32 V33 | R5-G25 CarbonylContact O-C 3.54Å; R5-G25 WeakPolarHBondContact O-CA 3.4Å; G25-Q31 WeakPolarHBondContact O-CA 3.28Å; G25-Q31 WeakPolarHBondContact O-CG 3.49Å; G25-F32 WeakPolarHBondContact O-CD1 3.36Å; G25-F32 PolarHBondContact O-N 3.16Å; G25-V33 PolarHBondContact N-O 3.39Å; G25-V33 VanDerWaalsContact N-O 3.08Å |
| 26 | Y | 98.4 | Very high | 97.1 | Very high | 70 Ų | 70 | 41.6 Ų | 41.6 | 28% | 0.275 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 140.5 | 177.9 | -74.7 | -101.8 | 0 | 0 | 0 | 110.6 | M4 R5 F7 V24 T30 Q31 | M4-Y26 CarbonylContact C-O 3.46Å; M4-Y26 WeakPolarHBondContact CA-O 3.3Å; R5-Y26 PolarHBondContact N-O 2.92Å; R5-Y26 PolarHBondContact O-N 3.39Å; F7-Y26 HydrophobicContact CD2-CD2 4.18Å; F7-Y26 HydrophobicContact CE2-CD2 4.22Å; V24-Y26 HydrophobicContact CB-CE2 4.07Å; V24-Y26 HydrophobicContact CG2-CD2 4.35Å; V24-Y26 HydrophobicContact CG2-CE2 3.8Å; Y26-T30 WeakPolarHBondContact CA-O 3.29Å; Y26-T30 VanDerWaalsContact CD1-C 3.47Å; Y26-Q31 HydrophobicContact CD1-CB 3.98Å; Y26-Q31 VanDerWaalsContact CD1-N 3.3Å; Y26-Q31 HydrophobicContact CD2-CG 4.39Å; Y26-Q31 HydrophobicContact CE1-CB 3.5Å; Y26-Q31 VanDerWaalsContact CE1-CB 3.5Å; Y26-Q31 HydrophobicContact CE1-CG 4.2Å; Y26-Q31 HydrophobicContact CE2-CB 4.14Å; Y26-Q31 HydrophobicContact CE2-CG 3.9Å; Y26-Q31 HydrophobicContact CG-CB 4.48Å |
| 27 | V | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 118.6 | 156.8 | 177.4 | 0 | 0 | 0 | 0 | 106.1 | S3 M4 D29 T30 F32 W50 L167 Y170 L171 L178 | S3-V27 CarbonylContact O-C 3.57Å; S3-V27 WeakPolarHBondContact O-CA 3.37Å; M4-V27 HydrophobicContact CG-CG2 4.37Å; V27-D29 PolarHBondContact O-N 2.91Å; V27-T30 PolarHBondContact N-O 3.31Å; V27-T30 PolarHBondContact O-N 3.01Å; V27-F32 HydrophobicContact CG2-CD1 3.97Å; V27-F32 HydrophobicContact CG2-CE1 3.99Å; V27-W50 HydrophobicContact CB-CH2 4.44Å; V27-W50 HydrophobicContact CG2-CH2 3.93Å; V27-L167 HydrophobicContact CG1-CD1 3.61Å; V27-L167 HydrophobicContact CG2-CD1 4.28Å; V27-Y170 HydrophobicContact CG2-CD2 4.04Å; V27-L171 HydrophobicContact CG1-CD2 4.08Å; V27-L178 HydrophobicContact CB-CD1 4.26Å; V27-L178 HydrophobicContact CB-CD2 4.09Å; V27-L178 HydrophobicContact CG1-CD1 3.88Å; V27-L178 HydrophobicContact CG1-CD2 4.07Å |
| 28 | D | 96 | Very high | 97.6 | Very high | 27 Ų | 27 | 33 Ų | 33 | 14% | 0.144 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.8 | -119 | -166.1 | -55.9 | -39.9 | 0 | 0 | 0 | 110.9 | H2 S3 | H2-D28 VanDerWaalsContact CA-OD1 3.25Å; H2-D28 WeakPolarHBondContact CA-OD1 3.34Å; H2-D28 IonicContact CE1-OD2 2.8Å; H2-D28 IonicContact CG-OD2 2.78Å; H2-D28 IonicContact ND1-OD1 3.08Å; H2-D28 IonicContact ND1-OD2 3.55Å; H2-D28 PolarHBondContact ND1-OD2 2.92Å; S3-D28 PolarHBondContact N-OD1 3.14Å; S3-D28 PolarHBondContact O-N 3.44Å; S3-D28 PolarHBondContact OG-OD1 3.45Å |
| 29 | D | 94.9 | Very high | 97.7 | Very high | 64 Ų | 64 | 29.9 Ų | 29.9 | 34% | 0.342 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | 7.2 | -179.7 | -54 | -54.4 | 0 | 0 | 0 | 113.1 | V27 Y208 A210 F240 | V27-D29 PolarHBondContact O-N 2.91Å; D29-Y208 HydrophobicContact CB-CE2 4.46Å; D29-A210 HydrophobicContact CB-CB 4.21Å; D29-A210 WeakPolarHBondContact OD2-CB 3.36Å; D29-A210 PolarHBondContact OD2-N 3.43Å; D29-F240 HydrophobicContact CB-CE2 3.84Å; D29-F240 HydrophobicContact CB-CZ 3.58Å |
| 30 | T | 96.1 | Very high | 97.7 | Very high | 22 Ų | 22 | 34.1 Ų | 34.1 | 14% | 0.135 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 115.4 | -176.4 | -60.3 | 0 | 0 | 0 | 0 | 111.5 | Y26 V27 F32 L178 Y208 | Y26-T30 WeakPolarHBondContact CA-O 3.29Å; Y26-T30 VanDerWaalsContact CD1-C 3.47Å; V27-T30 PolarHBondContact N-O 3.31Å; V27-T30 PolarHBondContact O-N 3.01Å; T30-F32 PolarHBondContact O-N 3.42Å; T30-L178 HydrophobicContact CG2-CD2 4.11Å; T30-Y208 PolarHBondContact OG1-OH 3.4Å |
| 31 | Q | 97.2 | Very high | 97.5 | Very high | 50 Ų | 50 | 32.5 Ų | 32.5 | 23% | 0.234 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 130.6 | 173.7 | -165.9 | -179.6 | -0.2 | 0 | 0 | 110.4 | V24 G25 Y26 V33 R47 | V24-Q31 VanDerWaalsContact CG1-NE2 3.26Å; G25-Q31 WeakPolarHBondContact O-CA 3.28Å; G25-Q31 WeakPolarHBondContact O-CG 3.49Å; Y26-Q31 HydrophobicContact CD1-CB 3.98Å; Y26-Q31 VanDerWaalsContact CD1-N 3.3Å; Y26-Q31 HydrophobicContact CD2-CG 4.39Å; Y26-Q31 HydrophobicContact CE1-CB 3.5Å; Y26-Q31 VanDerWaalsContact CE1-CB 3.5Å; Y26-Q31 HydrophobicContact CE1-CG 4.2Å; Y26-Q31 HydrophobicContact CE2-CB 4.14Å; Y26-Q31 HydrophobicContact CE2-CG 3.9Å; Y26-Q31 HydrophobicContact CG-CB 4.48Å; Q31-V33 PolarHBondContact NE2-O 3.47Å; Q31-R47 HydrophobicContact CB-CB 4.48Å; Q31-R47 HydrophobicContact CG-CB 4.11Å; Q31-R47 HydrophobicContact CG-CG 4.35Å; Q31-R47 CarbonylContact O-C 3.47Å |
| 32 | F | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | -23.2 | -179.7 | 74.2 | -82.2 | 0 | 0 | 0 | 114.4 | M4 Y6 G25 V27 T30 R47 A48 W50 I51 Y170 | M4-F32 HydrophobicContact CG-CE1 4.37Å; M4-F32 HydrophobicContact CG-CZ 4.47Å; M4-F32 HydrophobicContact SD-CZ 4.19Å; Y6-F32 AromaticContact CE1-CZ 3.89Å; Y6-F32 HydrophobicContact CE1-CZ 3.89Å; Y6-F32 AromaticContact CZ-CZ 3.7Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.25Å; G25-F32 WeakPolarHBondContact O-CD1 3.36Å; G25-F32 PolarHBondContact O-N 3.16Å; V27-F32 HydrophobicContact CG2-CD1 3.97Å; V27-F32 HydrophobicContact CG2-CE1 3.99Å; T30-F32 PolarHBondContact O-N 3.42Å; F32-R47 PolarHBondContact O-N 3.32Å; F32-A48 HydrophobicContact CB-CB 4.17Å; F32-W50 HydrophobicContact CB-CH2 3.13Å; F32-W50 HydrophobicContact CB-CZ2 3.36Å; F32-W50 HydrophobicContact CB-CZ3 3.97Å; F32-W50 HydrophobicContact CD1-CH2 4.12Å; F32-W50 AromaticContact CD2-CH2 3.86Å; F32-W50 HydrophobicContact CD2-CH2 3.86Å; F32-W50 HydrophobicContact CD2-CZ3 4.15Å; F32-W50 AromaticContact CG-CH2 3.47Å; F32-W50 HydrophobicContact CG-CH2 3.47Å; F32-W50 VanDerWaalsContact CG-CH2 3.47Å; F32-W50 HydrophobicContact CG-CZ2 4.16Å; F32-W50 HydrophobicContact CG-CZ3 4.21Å; F32-I51 HydrophobicContact CD2-CB 4.46Å; F32-I51 HydrophobicContact CD2-CD1 3.95Å; F32-I51 HydrophobicContact CD2-CG1 4.02Å; F32-I51 HydrophobicContact CE2-CD1 4.33Å; F32-I51 VanDerWaalsContact O-CG2 3.25Å; F32-I51 WeakPolarHBondContact O-CG2 3.27Å; F32-Y170 HydrophobicContact CD2-CE2 4.49Å; F32-Y170 HydrophobicContact CE2-CD2 4.22Å; F32-Y170 AromaticContact CE2-CE2 3.68Å; F32-Y170 HydrophobicContact CE2-CE2 3.68Å; F32-Y170 HydrophobicContact CZ-CD2 4.32Å; F32-Y170 AromaticContact CZ-CE2 3.88Å; F32-Y170 HydrophobicContact CZ-CE2 3.88Å |
| 33 | V | 98.4 | Very high | 97.3 | Very high | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 154.7 | 176.4 | -72.3 | 0 | 0 | 0 | 0 | 112.8 | Y6 V24 G25 Q31 M44 E45 I51 W59 | Y6-V33 HydrophobicContact CE1-CG2 3.93Å; V24-V33 WeakPolarHBondContact CA-O 3.43Å; G25-V33 PolarHBondContact N-O 3.39Å; G25-V33 VanDerWaalsContact N-O 3.08Å; Q31-V33 PolarHBondContact NE2-O 3.47Å; V33-M44 HydrophobicContact CB-CG 4.15Å; V33-M44 HydrophobicContact CB-SD 3.72Å; V33-M44 HydrophobicContact CG1-CG 4.16Å; V33-M44 HydrophobicContact CG1-SD 4.37Å; V33-M44 HydrophobicContact CG2-CE 4.37Å; V33-M44 HydrophobicContact CG2-SD 4.16Å; V33-E45 WeakPolarHBondContact CA-O 3.35Å; V33-I51 HydrophobicContact CG1-CG1 4.35Å; V33-W59 HydrophobicContact CG1-CH2 4.12Å; V33-W59 HydrophobicContact CG1-CZ3 3.92Å |
| 34 | R | 98.4 | Very high | 97.3 | Very high | 64 Ų | 64 | 42.5 Ų | 42.5 | 24% | 0.242 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 141.9 | 172.2 | 179.6 | 174.3 | 170 | 95.4 | 5.5 | 111.2 | A23 V24 D36 M44 E45 R47 | A23-R34 CarbonylContact O-C 3.58Å; A23-R34 VanDerWaalsContact O-CA 3.31Å; A23-R34 WeakPolarHBondContact O-CA 3.3Å; V24-R34 HydrophobicContact CG1-CB 4.49Å; V24-R34 HydrophobicContact CG1-CG 4.21Å; R34-D36 IonicContact CZ-OD2 3.78Å; R34-D36 IonicContact NH2-OD2 3.64Å; R34-D36 PolarHBondContact NH2-OD2 3.33Å; R34-M44 VanDerWaalsContact C-SD 3.6Å; R34-E45 PolarHBondContact N-O 2.87Å; R34-E45 PolarHBondContact O-N 3.48Å; R34-R47 HydrophobicContact CB-CG 3.9Å |
| 35 | F | 98.7 | Very high | 97.2 | Very high | 4 Ų | 4 | 44.2 Ų | 44.2 | 2% | 0.018 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 142.1 | 165.6 | 179.7 | -81.6 | 0 | 0 | 0 | 109.6 | F21 I22 A23 Q42 R43 M44 M66 K67 | F21-F35 AromaticContact CD1-CD1 3.69Å; F21-F35 HydrophobicContact CD1-CD1 3.69Å; F21-F35 AromaticContact CD1-CE1 3.85Å; F21-F35 HydrophobicContact CD1-CE1 3.85Å; F21-F35 AromaticContact CE1-CD1 3.95Å; F21-F35 HydrophobicContact CE1-CD1 3.95Å; F21-F35 HydrophobicContact CE1-CE1 4.37Å; I22-F35 WeakPolarHBondContact CA-O 3.4Å; A23-F35 HydrophobicContact CB-CB 4.23Å; A23-F35 PolarHBondContact N-O 3.33Å; A23-F35 PolarHBondContact O-N 3.01Å; F35-Q42 WeakPolarHBondContact CE2-O 3.42Å; F35-Q42 HydrophobicContact CZ-CB 4.45Å; F35-R43 WeakPolarHBondContact CD2-O 3.33Å; F35-M44 HydrophobicContact CB-SD 3.97Å; F35-M66 HydrophobicContact CB-CB 4.22Å; F35-M66 HydrophobicContact CB-CG 4.02Å; F35-M66 HydrophobicContact CD1-CB 4.09Å; F35-M66 HydrophobicContact CD2-CB 3.69Å; F35-M66 HydrophobicContact CD2-CG 4.23Å; F35-M66 HydrophobicContact CE1-CB 4.4Å; F35-M66 HydrophobicContact CE2-CB 4.02Å; F35-M66 HydrophobicContact CG-CB 3.74Å; F35-M66 HydrophobicContact CG-CG 4.11Å; F35-M66 HydrophobicContact CZ-CB 4.37Å; F35-K67 HydrophobicContact CE2-CG 4.21Å; F35-K67 HydrophobicContact CZ-CG 4.01Å |
| 36 | D | 98.5 | Very high | 97.2 | Very high | 20 Ų | 20 | 46.2 Ų | 46.2 | 11% | 0.107 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 121 | 174.9 | -164.2 | -29.6 | 0 | 0 | 0 | 109.3 | R20 R34 D38 A39 | R20-D36 IonicContact CZ-OD1 4Å; R20-D36 IonicContact CZ-OD2 2.82Å; R20-D36 IonicContact NE-OD1 2.93Å; R20-D36 PolarHBondContact NE-OD1 2.95Å; R20-D36 VanDerWaalsContact NE-OD1 3.14Å; R20-D36 IonicContact NE-OD2 2.68Å; R20-D36 IonicContact NH2-OD1 3.1Å; R20-D36 IonicContact NH2-OD2 3.85Å; R20-D36 PolarHBondContact NH2-OD2 2.94Å; R34-D36 IonicContact CZ-OD2 3.78Å; R34-D36 IonicContact NH2-OD2 3.64Å; R34-D36 PolarHBondContact NH2-OD2 3.33Å; D36-D38 PolarHBondContact O-N 2.86Å; D36-D38 PolarHBondContact OD1-N 2.87Å; D36-D38 VanDerWaalsContact OD1-N 3.14Å; D36-A39 HydrophobicContact CB-CB 4.14Å; D36-A39 WeakPolarHBondContact O-CB 3.41Å; D36-A39 PolarHBondContact O-N 2.99Å; D36-A39 VanDerWaalsContact O-N 3.11Å |
| 37 | S | 97.8 | Very high | 97.2 | Very high | 16 Ų | 16 | 47.8 Ų | 47.8 | 11% | 0.112 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -22.3 | -179 | 65.7 | 0 | 0 | 0 | 0 | 113.2 | F21 Q42 | F21-S37 PolarHBondContact N-OG 3.31Å; F21-S37 PolarHBondContact O-N 3.39Å; F21-S37 PolarHBondContact O-OG 3.47Å; S37-Q42 PolarHBondContact O-NE2 2.92Å |
| 38 | D | 96.9 | Very high | 97.1 | Very high | 78 Ų | 78 | 48 Ų | 48 | 42% | 0.417 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -9.4 | 178.4 | -71.3 | 0.1 | 0 | 0 | 0 | 112.5 | R13 R20 D36 | R13-D38 IonicContact CZ-OD1 3.92Å; R13-D38 IonicContact CZ-OD2 3.56Å; R13-D38 IonicContact NH1-OD1 3.61Å; R13-D38 PolarHBondContact NH1-OD1 3.49Å; R13-D38 IonicContact NH1-OD2 2.77Å; R13-D38 PolarHBondContact NH1-OD2 2.88Å; R13-D38 IonicContact NH2-OD1 3.63Å; R13-D38 PolarHBondContact NH2-OD1 3.43Å; R13-D38 IonicContact NH2-OD2 3.31Å; R20-D38 VanDerWaalsContact CD-OD2 3.28Å; R20-D38 WeakPolarHBondContact CD-OD2 3.25Å; R20-D38 IonicContact NE-OD2 3.34Å; D36-D38 PolarHBondContact O-N 2.86Å; D36-D38 PolarHBondContact OD1-N 2.87Å; D36-D38 VanDerWaalsContact OD1-N 3.14Å |
| 39 | A | 96.9 | Very high | 97.1 | Very high | 29 Ų | 29 | 51.6 Ų | 51.6 | 24% | 0.24 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -68.1 | 143.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | D36 S41 Q42 | D36-A39 HydrophobicContact CB-CB 4.14Å; D36-A39 WeakPolarHBondContact O-CB 3.41Å; D36-A39 PolarHBondContact O-N 2.99Å; D36-A39 VanDerWaalsContact O-N 3.11Å; A39-S41 PolarHBondContact O-N 3.38Å; A39-Q42 WeakPolarHBondContact O-CG 3.25Å; A39-Q42 PolarHBondContact O-N 3.42Å; A39-Q42 VanDerWaalsContact O-N 3.12Å |
| 40 | A | 95.9 | Very high | 97.1 | Very high | 114 Ų | 114 | 49.3 Ų | 49.3 | 94% | 0.942 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -61.2 | -32.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 41 | S | 93.4 | Very high | 97.2 | Very high | 55 Ų | 55 | 48.2 Ų | 48.2 | 39% | 0.385 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -72.6 | -34.8 | 177.3 | 59.2 | 0 | 0 | 0 | 0 | 112.2 | A39 R43 E45 | A39-S41 PolarHBondContact O-N 3.38Å; S41-R43 WeakPolarHBondContact O-CG 3.5Å; S41-R43 PolarHBondContact O-N 3.3Å; S41-E45 PolarHBondContact OG-OE1 2.87Å; S41-E45 VanDerWaalsContact OG-OE1 3.11Å |
| 42 | Q | 95.8 | Very high | 97.2 | Very high | 91 Ų | 91 | 51.8 Ų | 51.8 | 43% | 0.425 | 28% | 0.277 | S | S | . | . | trans | 42 | 49.1 | -167.2 | -58.2 | -174.2 | -28.4 | 0 | 0 | 111.8 | F35 S37 A39 K67 | F35-Q42 WeakPolarHBondContact CE2-O 3.42Å; F35-Q42 HydrophobicContact CZ-CB 4.45Å; S37-Q42 PolarHBondContact O-NE2 2.92Å; A39-Q42 WeakPolarHBondContact O-CG 3.25Å; A39-Q42 PolarHBondContact O-N 3.42Å; A39-Q42 VanDerWaalsContact O-N 3.12Å; Q42-K67 WeakPolarHBondContact O-CE 3.28Å; Q42-K67 PolarHBondContact O-NZ 2.92Å | ||
| 43 | R | 97.8 | Very high | 97 | Very high | 154 Ų | 154 | 57.5 Ų | 57.5 | 58% | 0.581 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -119.7 | 157 | 179.3 | -76.2 | -178.9 | 177.3 | -180 | -4.1 | 110.7 | F35 S41 T63 | F35-R43 WeakPolarHBondContact CD2-O 3.33Å; S41-R43 WeakPolarHBondContact O-CG 3.5Å; S41-R43 PolarHBondContact O-N 3.3Å; R43-T63 HydrophobicContact CB-CG2 4.46Å; R43-T63 HydrophobicContact CG-CG2 4.14Å |
| 44 | M | 98.2 | Very high | 96.9 | Very high | 9 Ų | 9 | 58 Ų | 58 | 4% | 0.044 | 31% | 0.305 | C | S | . | . | trans | -68.2 | 128.7 | 164.5 | -171.8 | 66.5 | 92 | 0 | 0 | 108 | V33 R34 F35 W59 E62 T63 M66 | V33-M44 HydrophobicContact CB-CG 4.15Å; V33-M44 HydrophobicContact CB-SD 3.72Å; V33-M44 HydrophobicContact CG1-CG 4.16Å; V33-M44 HydrophobicContact CG1-SD 4.37Å; V33-M44 HydrophobicContact CG2-CE 4.37Å; V33-M44 HydrophobicContact CG2-SD 4.16Å; R34-M44 VanDerWaalsContact C-SD 3.6Å; F35-M44 HydrophobicContact CB-SD 3.97Å; M44-W59 HydrophobicContact CB-CE3 4.21Å; M44-W59 HydrophobicContact CB-CZ3 4.5Å; M44-W59 HydrophobicContact CG-CE3 4.1Å; M44-W59 HydrophobicContact CG-CZ3 3.93Å; M44-E62 HydrophobicContact CB-CB 4.06Å; M44-E62 HydrophobicContact CE-CB 4.14Å; M44-E62 HydrophobicContact CG-CB 4.03Å; M44-T63 PolarHBondContact N-OG1 3.04Å; M44-M66 HydrophobicContact CE-CE 4.4Å; M44-M66 HydrophobicContact CE-CG 3.3Å; M44-M66 HydrophobicContact CE-SD 3.86Å; M44-M66 HydrophobicContact SD-CG 4.4Å | ||
| 45 | E | 98.1 | Very high | 96.8 | Very high | 60 Ų | 60 | 56.5 Ų | 56.5 | 28% | 0.28 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 140.5 | -175.7 | -61.4 | 178.8 | 172.8 | 0 | 0 | 110.8 | V33 R34 S41 R47 | V33-E45 WeakPolarHBondContact CA-O 3.35Å; R34-E45 PolarHBondContact N-O 2.87Å; R34-E45 PolarHBondContact O-N 3.48Å; S41-E45 PolarHBondContact OG-OE1 2.87Å; S41-E45 VanDerWaalsContact OG-OE1 3.11Å; E45-R47 IonicContact OE2-CZ 3Å; E45-R47 IonicContact OE2-NH1 3.45Å; E45-R47 PolarHBondContact OE2-NH1 3.42Å; E45-R47 VanDerWaalsContact OE2-NH1 3.1Å; E45-R47 IonicContact OE2-NH2 2.72Å; E45-R47 PolarHBondContact OE2-NH2 2.93Å |
| 46 | P | 98 | Very high | 96.8 | Very high | 43 Ų | 43 | 61 Ų | 61 | 28% | 0.279 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 147.7 | 174.5 | 28.6 | -34.4 | 0 | 0 | 0 | 111.2 | I51 E52 W59 | P46-I51 HydrophobicContact CB-CG2 3.66Å; P46-E52 HydrophobicContact CB-CG 3.74Å; P46-E52 HydrophobicContact CG-CG 3.99Å; P46-W59 HydrophobicContact CB-CH2 3.62Å; P46-W59 HydrophobicContact CB-CZ2 4.01Å; P46-W59 HydrophobicContact CB-CZ3 4.47Å; P46-W59 HydrophobicContact CG-CH2 4.25Å; P46-W59 HydrophobicContact CG-CZ2 4.44Å |
| 47 | R | 97.3 | Very high | 96.7 | Very high | 102 Ų | 102 | 68.1 Ų | 68.1 | 39% | 0.385 | 37% | 0.373 | S | S | . | . | trans | -129.4 | 0.2 | 173.3 | -65 | -63.6 | -178.6 | -95.3 | 3.2 | 113.4 | Q31 F32 R34 E45 | Q31-R47 HydrophobicContact CB-CB 4.48Å; Q31-R47 HydrophobicContact CG-CB 4.11Å; Q31-R47 HydrophobicContact CG-CG 4.35Å; Q31-R47 CarbonylContact O-C 3.47Å; F32-R47 PolarHBondContact O-N 3.32Å; R34-R47 HydrophobicContact CB-CG 3.9Å; E45-R47 IonicContact OE2-CZ 3Å; E45-R47 IonicContact OE2-NH1 3.45Å; E45-R47 PolarHBondContact OE2-NH1 3.42Å; E45-R47 VanDerWaalsContact OE2-NH1 3.1Å; E45-R47 IonicContact OE2-NH2 2.72Å; E45-R47 PolarHBondContact OE2-NH2 2.93Å | ||
| 48 | A | 96.1 | Very high | 96.7 | Very high | 5 Ų | 5 | 68.2 Ų | 68.2 | 4% | 0.041 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -138 | 144.3 | 173 | 0 | 0 | 0 | 0 | 0 | 110.8 | F32 W50 I51 | F32-A48 HydrophobicContact CB-CB 4.17Å; A48-W50 VanDerWaalsContact C-N 3.29Å; A48-W50 HydrophobicContact CB-CD2 4.16Å; A48-W50 HydrophobicContact CB-CG 4.35Å; A48-W50 HydrophobicContact CB-CZ2 3.96Å; A48-W50 PolarHBondContact O-N 2.88Å; A48-I51 WeakPolarHBondContact O-CG2 3.24Å; A48-I51 PolarHBondContact O-N 3.29Å |
| 49 | P | 96.1 | Very high | 96.8 | Very high | 103 Ų | 103 | 66.5 Ų | 66.5 | 67% | 0.669 | 36% | 0.359 | S | S | * | . | G | 310 helix | trans | -59.2 | -37.4 | -177.4 | -26.3 | 34.9 | 0 | 0 | 0 | 113.8 | I51 E52 | P49-I51 PolarHBondContact O-N 3.24Å; P49-E52 WeakPolarHBondContact O-CB 3.45Å; P49-E52 PolarHBondContact O-N 3.19Å; P49-E52 VanDerWaalsContact O-N 3.11Å |
| 50 | W | 96.1 | Very high | 96.9 | Very high | 15 Ų | 15 | 69.3 Ų | 69.3 | 6% | 0.057 | 37% | 0.37 | C | S | . | . | G | 310 helix | trans | -70 | -14.1 | -176.3 | 54 | -105.3 | 0 | 0 | 0 | 114.3 | V27 F32 A48 Q53 Y170 G174 L178 | V27-W50 HydrophobicContact CB-CH2 4.44Å; V27-W50 HydrophobicContact CG2-CH2 3.93Å; F32-W50 HydrophobicContact CB-CH2 3.13Å; F32-W50 HydrophobicContact CB-CZ2 3.36Å; F32-W50 HydrophobicContact CB-CZ3 3.97Å; F32-W50 HydrophobicContact CD1-CH2 4.12Å; F32-W50 AromaticContact CD2-CH2 3.86Å; F32-W50 HydrophobicContact CD2-CH2 3.86Å; F32-W50 HydrophobicContact CD2-CZ3 4.15Å; F32-W50 AromaticContact CG-CH2 3.47Å; F32-W50 HydrophobicContact CG-CH2 3.47Å; F32-W50 VanDerWaalsContact CG-CH2 3.47Å; F32-W50 HydrophobicContact CG-CZ2 4.16Å; F32-W50 HydrophobicContact CG-CZ3 4.21Å; A48-W50 VanDerWaalsContact C-N 3.29Å; A48-W50 HydrophobicContact CB-CD2 4.16Å; A48-W50 HydrophobicContact CB-CG 4.35Å; A48-W50 HydrophobicContact CB-CZ2 3.96Å; A48-W50 PolarHBondContact O-N 2.88Å; W50-Q53 WeakPolarHBondContact O-CG 3.34Å; W50-Y170 HydrophobicContact CH2-CG 4.31Å; W50-Y170 AromaticContact CZ3-CD1 3.9Å; W50-Y170 HydrophobicContact CZ3-CD1 3.9Å; W50-Y170 HydrophobicContact CZ3-CD2 4.43Å; W50-Y170 AromaticContact CZ3-CG 3.74Å; W50-Y170 HydrophobicContact CZ3-CG 3.74Å; W50-G174 VanDerWaalsContact CG-CA 3.47Å; W50-L178 HydrophobicContact CD2-CD1 4.44Å; W50-L178 HydrophobicContact CH2-CD1 4.27Å; W50-L178 HydrophobicContact CZ2-CD1 3.82Å; W50-L178 HydrophobicContact CZ2-CD2 4.04Å; W50-L178 HydrophobicContact CZ2-CG 4.3Å |
| 51 | I | 97.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -88.9 | -20.1 | 173.4 | -163.5 | 71.5 | 0 | 0 | 0 | 111.6 | F32 V33 P46 A48 P49 Q53 E54 Y58 W59 Y170 | F32-I51 HydrophobicContact CD2-CB 4.46Å; F32-I51 HydrophobicContact CD2-CD1 3.95Å; F32-I51 HydrophobicContact CD2-CG1 4.02Å; F32-I51 HydrophobicContact CE2-CD1 4.33Å; F32-I51 VanDerWaalsContact O-CG2 3.25Å; F32-I51 WeakPolarHBondContact O-CG2 3.27Å; V33-I51 HydrophobicContact CG1-CG1 4.35Å; P46-I51 HydrophobicContact CB-CG2 3.66Å; A48-I51 WeakPolarHBondContact O-CG2 3.24Å; A48-I51 PolarHBondContact O-N 3.29Å; P49-I51 PolarHBondContact O-N 3.24Å; I51-Q53 PolarHBondContact O-N 2.87Å; I51-Q53 VanDerWaalsContact O-N 3.14Å; I51-E54 HydrophobicContact CD1-CG 3.68Å; I51-E54 HydrophobicContact CG1-CG 4.21Å; I51-E54 WeakPolarHBondContact O-CB 3.15Å; I51-E54 WeakPolarHBondContact O-CG 3.41Å; I51-E54 PolarHBondContact O-N 3.48Å; I51-Y58 HydrophobicContact CD1-CE1 4.21Å; I51-Y58 HydrophobicContact CG1-CE1 4.21Å; I51-W59 HydrophobicContact CB-CH2 4.47Å; I51-W59 HydrophobicContact CG1-CH2 3.79Å; I51-W59 HydrophobicContact CG1-CZ2 4.05Å; I51-W59 HydrophobicContact CG2-CH2 3.98Å; I51-W59 HydrophobicContact CG2-CZ2 4.36Å; I51-W59 WeakPolarHBondContact O-CZ2 3.35Å; I51-Y170 HydrophobicContact CD1-CD1 3.77Å; I51-Y170 HydrophobicContact CD1-CE1 3.31Å |
| 52 | E | 96.3 | Very high | 97.2 | Very high | 124 Ų | 124 | 66.2 Ų | 66.2 | 58% | 0.579 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -22.2 | -176.4 | -64.3 | -178.1 | -174.9 | 0 | 0 | 113.3 | P46 P49 E54 | P46-E52 HydrophobicContact CB-CG 3.74Å; P46-E52 HydrophobicContact CG-CG 3.99Å; P49-E52 WeakPolarHBondContact O-CB 3.45Å; P49-E52 PolarHBondContact O-N 3.19Å; P49-E52 VanDerWaalsContact O-N 3.11Å; E52-E54 PolarHBondContact O-N 3.17Å |
| 53 | Q | 95 | Very high | 97.3 | Very high | 121 Ų | 121 | 62.4 Ų | 62.4 | 57% | 0.565 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -11.9 | 175.3 | 68.8 | -177.7 | 12.8 | 0 | 0 | 114 | W50 I51 N173 | W50-Q53 WeakPolarHBondContact O-CG 3.34Å; I51-Q53 PolarHBondContact O-N 2.87Å; I51-Q53 VanDerWaalsContact O-N 3.14Å; Q53-N173 PolarHBondContact NE2-ND2 3.35Å; Q53-N173 PolarHBondContact NE2-OD1 2.88Å; Q53-N173 VanDerWaalsContact NE2-OD1 3.09Å |
| 54 | E | 96.9 | Very high | 97.3 | Very high | 10 Ų | 10 | 62.7 Ų | 62.7 | 5% | 0.047 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -64.4 | 138.8 | 174.6 | -67.4 | -61.1 | 160.3 | 0 | 0 | 110.9 | I51 E52 Y58 W59 R169 N173 | I51-E54 HydrophobicContact CD1-CG 3.68Å; I51-E54 HydrophobicContact CG1-CG 4.21Å; I51-E54 WeakPolarHBondContact O-CB 3.15Å; I51-E54 WeakPolarHBondContact O-CG 3.41Å; I51-E54 PolarHBondContact O-N 3.48Å; E52-E54 PolarHBondContact O-N 3.17Å; E54-Y58 HydrophobicContact CB-CD1 3.49Å; E54-Y58 VanDerWaalsContact CB-CD1 3.49Å; E54-Y58 HydrophobicContact CB-CE1 4.11Å; E54-Y58 HydrophobicContact CB-CG 3.81Å; E54-Y58 HydrophobicContact CG-CD1 3.99Å; E54-Y58 HydrophobicContact CG-CE1 4.2Å; E54-Y58 HydrophobicContact CG-CG 4.2Å; E54-W59 HydrophobicContact CB-CZ2 4.5Å; E54-W59 PolarHBondContact O-NE1 3.38Å; E54-R169 IonicContact OE1-CZ 3.43Å; E54-R169 IonicContact OE1-NE 3.74Å; E54-R169 PolarHBondContact OE1-NE 2.84Å; E54-R169 IonicContact OE1-NH2 2.69Å; E54-R169 PolarHBondContact OE1-NH2 2.87Å; E54-R169 IonicContact OE2-CZ 3.95Å; E54-R169 IonicContact OE2-NE 3.5Å; E54-R169 IonicContact OE2-NH2 2.88Å; E54-R169 PolarHBondContact OE2-NH2 3.45Å; E54-N173 PolarHBondContact OE1-ND2 3.47Å |
| 55 | G | 96.6 | Very high | 97.2 | Very high | 34 Ų | 34 | 64.8 Ų | 64.8 | 35% | 0.351 | 33% | 0.325 | S | S | . | . | trans | -70.6 | 167.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | E57 Y58 W59 | G55-E57 PolarHBondContact O-N 3.07Å; G55-Y58 WeakPolarHBondContact O-CB 3.1Å; G55-Y58 PolarHBondContact O-N 2.69Å; G55-Y58 VanDerWaalsContact O-N 3.07Å; G55-W59 VanDerWaalsContact O-CD1 3.25Å; G55-W59 PolarHBondContact O-N 2.95Å | ||
| 56 | P | 97.2 | Very high | 97.2 | Very high | 99 Ų | 99 | 62 Ų | 62 | 64% | 0.643 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -57.9 | -33.5 | -179.3 | 23.5 | -33.9 | 0 | 0 | 0 | 113.2 | Y58 W59 D60 | P56-Y58 VanDerWaalsContact C-N 3.29Å; P56-Y58 PolarHBondContact O-N 3.39Å; P56-W59 PolarHBondContact O-N 2.98Å; P56-D60 WeakPolarHBondContact O-CB 3.38Å; P56-D60 PolarHBondContact O-N 3Å |
| 57 | E | 97.8 | Very high | 97.2 | Very high | 169 Ų | 169 | 64.1 Ų | 64.1 | 79% | 0.79 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -60.1 | -38.2 | 177.5 | -64.7 | -179.1 | 176.5 | 0 | 0 | 112.6 | G55 Q61 | G55-E57 PolarHBondContact O-N 3.07Å; E57-Q61 VanDerWaalsContact O-CB 3.24Å; E57-Q61 WeakPolarHBondContact O-CB 3.39Å; E57-Q61 PolarHBondContact O-N 3.43Å |
| 58 | Y | 97.6 | Very high | 97.3 | Very high | 18 Ų | 18 | 61.9 Ų | 61.9 | 7% | 0.071 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.7 | -51.1 | 175.4 | 169.8 | -95.7 | 0 | 0 | 0 | 110.5 | I51 E54 G55 P56 D60 Q61 E62 W166 Y170 | I51-Y58 HydrophobicContact CD1-CE1 4.21Å; I51-Y58 HydrophobicContact CG1-CE1 4.21Å; E54-Y58 HydrophobicContact CB-CD1 3.49Å; E54-Y58 VanDerWaalsContact CB-CD1 3.49Å; E54-Y58 HydrophobicContact CB-CE1 4.11Å; E54-Y58 HydrophobicContact CB-CG 3.81Å; E54-Y58 HydrophobicContact CG-CD1 3.99Å; E54-Y58 HydrophobicContact CG-CE1 4.2Å; E54-Y58 HydrophobicContact CG-CG 4.2Å; G55-Y58 WeakPolarHBondContact O-CB 3.1Å; G55-Y58 PolarHBondContact O-N 2.69Å; G55-Y58 VanDerWaalsContact O-N 3.07Å; P56-Y58 VanDerWaalsContact C-N 3.29Å; P56-Y58 PolarHBondContact O-N 3.39Å; Y58-D60 VanDerWaalsContact C-N 3.34Å; Y58-D60 PolarHBondContact O-N 3.38Å; Y58-Q61 PolarHBondContact O-N 2.91Å; Y58-E62 HydrophobicContact CD2-CG 4.15Å; Y58-E62 HydrophobicContact CE1-CG 4.13Å; Y58-E62 HydrophobicContact CE2-CG 3.73Å; Y58-E62 WeakPolarHBondContact O-CB 3.5Å; Y58-E62 WeakPolarHBondContact O-CG 3.31Å; Y58-E62 PolarHBondContact O-N 2.74Å; Y58-W166 AromaticContact CD2-CH2 3.52Å; Y58-W166 HydrophobicContact CD2-CH2 3.52Å; Y58-W166 HydrophobicContact CD2-CZ2 4.1Å; Y58-W166 AromaticContact CD2-CZ3 3.95Å; Y58-W166 HydrophobicContact CD2-CZ3 3.95Å; Y58-W166 HydrophobicContact CE2-CE3 4.48Å; Y58-W166 AromaticContact CE2-CH2 3.87Å; Y58-W166 HydrophobicContact CE2-CH2 3.87Å; Y58-W166 HydrophobicContact CE2-CZ2 4.32Å; Y58-W166 AromaticContact CE2-CZ3 3.95Å; Y58-W166 HydrophobicContact CE2-CZ3 3.95Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.34Å; Y58-Y170 PolarHBondContact OH-OH 3.08Å |
| 59 | W | 98.3 | Very high | 97.3 | Very high | 41 Ų | 41 | 64.6 Ų | 64.6 | 16% | 0.155 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64 | -38.5 | -178.5 | -64.6 | 111.5 | 0 | 0 | 0 | 113 | V33 M44 P46 I51 E54 G55 P56 T63 | V33-W59 HydrophobicContact CG1-CH2 4.12Å; V33-W59 HydrophobicContact CG1-CZ3 3.92Å; M44-W59 HydrophobicContact CB-CE3 4.21Å; M44-W59 HydrophobicContact CB-CZ3 4.5Å; M44-W59 HydrophobicContact CG-CE3 4.1Å; M44-W59 HydrophobicContact CG-CZ3 3.93Å; P46-W59 HydrophobicContact CB-CH2 3.62Å; P46-W59 HydrophobicContact CB-CZ2 4.01Å; P46-W59 HydrophobicContact CB-CZ3 4.47Å; P46-W59 HydrophobicContact CG-CH2 4.25Å; P46-W59 HydrophobicContact CG-CZ2 4.44Å; I51-W59 HydrophobicContact CB-CH2 4.47Å; I51-W59 HydrophobicContact CG1-CH2 3.79Å; I51-W59 HydrophobicContact CG1-CZ2 4.05Å; I51-W59 HydrophobicContact CG2-CH2 3.98Å; I51-W59 HydrophobicContact CG2-CZ2 4.36Å; I51-W59 WeakPolarHBondContact O-CZ2 3.35Å; E54-W59 HydrophobicContact CB-CZ2 4.5Å; E54-W59 PolarHBondContact O-NE1 3.38Å; G55-W59 VanDerWaalsContact O-CD1 3.25Å; G55-W59 PolarHBondContact O-N 2.95Å; P56-W59 PolarHBondContact O-N 2.98Å; W59-T63 WeakPolarHBondContact O-CB 3.33Å; W59-T63 PolarHBondContact O-N 3.33Å; W59-T63 PolarHBondContact O-OG1 2.91Å |
| 60 | D | 98.2 | Very high | 97.3 | Very high | 88 Ų | 88 | 60.5 Ų | 60.5 | 47% | 0.471 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -68 | -41.7 | 175.5 | -76.7 | -21 | 0 | 0 | 0 | 111.4 | P56 Y58 R64 | P56-D60 WeakPolarHBondContact O-CB 3.38Å; P56-D60 PolarHBondContact O-N 3Å; Y58-D60 VanDerWaalsContact C-N 3.34Å; Y58-D60 PolarHBondContact O-N 3.38Å; D60-R64 WeakPolarHBondContact O-CB 3.46Å; D60-R64 VanDerWaalsContact O-CG 3.31Å; D60-R64 WeakPolarHBondContact O-CG 3.48Å; D60-R64 PolarHBondContact O-N 2.92Å |
| 61 | Q | 97.8 | Very high | 97.4 | Very high | 77 Ų | 77 | 65 Ų | 65 | 36% | 0.36 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.9 | -50.3 | 176.2 | -174.5 | 59.3 | 41.7 | 0 | 0 | 111.6 | E57 Y58 T63 R64 N65 | E57-Q61 VanDerWaalsContact O-CB 3.24Å; E57-Q61 WeakPolarHBondContact O-CB 3.39Å; E57-Q61 PolarHBondContact O-N 3.43Å; Y58-Q61 PolarHBondContact O-N 2.91Å; Q61-T63 VanDerWaalsContact C-N 3.32Å; Q61-T63 PolarHBondContact O-N 2.94Å; Q61-R64 PolarHBondContact O-N 2.99Å; Q61-R64 VanDerWaalsContact O-N 3.16Å; Q61-N65 PolarHBondContact NE2-OD1 2.86Å; Q61-N65 WeakPolarHBondContact O-CB 3.48Å; Q61-N65 PolarHBondContact O-N 3.06Å; Q61-N65 PolarHBondContact O-ND2 3.02Å; Q61-N65 PolarHBondContact O-OD1 3.38Å |
| 62 | E | 97.8 | Very high | 97.4 | Very high | 27 Ų | 27 | 68.6 Ų | 68.6 | 13% | 0.126 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.4 | -39.4 | 179.8 | -72.3 | -53.2 | 108.4 | 0 | 0 | 111.8 | M44 Y58 R64 N65 M66 | M44-E62 HydrophobicContact CB-CB 4.06Å; M44-E62 HydrophobicContact CE-CB 4.14Å; M44-E62 HydrophobicContact CG-CB 4.03Å; Y58-E62 HydrophobicContact CD2-CG 4.15Å; Y58-E62 HydrophobicContact CE1-CG 4.13Å; Y58-E62 HydrophobicContact CE2-CG 3.73Å; Y58-E62 WeakPolarHBondContact O-CB 3.5Å; Y58-E62 WeakPolarHBondContact O-CG 3.31Å; Y58-E62 PolarHBondContact O-N 2.74Å; E62-R64 PolarHBondContact O-N 2.64Å; E62-N65 PolarHBondContact O-N 2.77Å; E62-N65 PolarHBondContact OE1-ND2 2.96Å; E62-N65 VanDerWaalsContact OE1-ND2 3.16Å; E62-M66 WeakPolarHBondContact O-CG 3.39Å; E62-M66 PolarHBondContact O-N 2.75Å |
| 63 | T | 98.4 | Very high | 97.4 | Very high | 11 Ų | 11 | 62.9 Ų | 62.9 | 7% | 0.067 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.8 | -45.2 | 173.3 | -64.6 | 0 | 0 | 0 | 0 | 111.6 | R43 M44 W59 Q61 M66 K67 | R43-T63 HydrophobicContact CB-CG2 4.46Å; R43-T63 HydrophobicContact CG-CG2 4.14Å; M44-T63 PolarHBondContact N-OG1 3.04Å; W59-T63 WeakPolarHBondContact O-CB 3.33Å; W59-T63 PolarHBondContact O-N 3.33Å; W59-T63 PolarHBondContact O-OG1 2.91Å; Q61-T63 VanDerWaalsContact C-N 3.32Å; Q61-T63 PolarHBondContact O-N 2.94Å; T63-M66 PolarHBondContact O-N 3.03Å; T63-K67 HydrophobicContact CG2-CD 4.25Å; T63-K67 WeakPolarHBondContact O-CG 3.24Å; T63-K67 PolarHBondContact O-N 3.25Å |
| 64 | R | 98.3 | Very high | 97.5 | Very high | 160 Ų | 160 | 62.3 Ų | 62.3 | 60% | 0.604 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -63.3 | -43.2 | 177 | -75.2 | -172.5 | -61.8 | 179.8 | 0.9 | 111.5 | D60 Q61 E62 M66 K67 A68 | D60-R64 WeakPolarHBondContact O-CB 3.46Å; D60-R64 VanDerWaalsContact O-CG 3.31Å; D60-R64 WeakPolarHBondContact O-CG 3.48Å; D60-R64 PolarHBondContact O-N 2.92Å; Q61-R64 PolarHBondContact O-N 2.99Å; Q61-R64 VanDerWaalsContact O-N 3.16Å; E62-R64 PolarHBondContact O-N 2.64Å; R64-M66 PolarHBondContact O-N 2.81Å; R64-K67 PolarHBondContact O-N 3.37Å; R64-A68 WeakPolarHBondContact O-CB 3.31Å; R64-A68 PolarHBondContact O-N 3.05Å |
| 65 | N | 96.9 | Very high | 97.5 | Very high | 53 Ų | 53 | 64.7 Ų | 64.7 | 28% | 0.283 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -58.5 | -46 | 177.2 | -70 | -15.1 | 0 | 0 | 0 | 111.3 | Q61 E62 A68 H69 | Q61-N65 PolarHBondContact NE2-OD1 2.86Å; Q61-N65 WeakPolarHBondContact O-CB 3.48Å; Q61-N65 PolarHBondContact O-N 3.06Å; Q61-N65 PolarHBondContact O-ND2 3.02Å; Q61-N65 PolarHBondContact O-OD1 3.38Å; E62-N65 PolarHBondContact O-N 2.77Å; E62-N65 PolarHBondContact OE1-ND2 2.96Å; E62-N65 VanDerWaalsContact OE1-ND2 3.16Å; N65-A68 PolarHBondContact O-N 2.95Å; N65-H69 PolarHBondContact O-N 2.79Å; N65-H69 PolarHBondContact O-ND1 2.89Å |
| 66 | M | 97.8 | Very high | 97.6 | Very high | 2 Ų | 2 | 66 Ų | 66 | 1% | 0.01 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -68.9 | -37.8 | 179.3 | -67.4 | -53.7 | 99 | 0 | 0 | 112.7 | F8 F21 A23 F35 M44 E62 T63 R64 A68 H69 S70 | F8-M66 HydrophobicContact CE1-CE 4.25Å; F8-M66 HydrophobicContact CE1-SD 3.8Å; F8-M66 HydrophobicContact CE2-CE 4.46Å; F8-M66 HydrophobicContact CZ-CE 3.7Å; F8-M66 HydrophobicContact CZ-SD 3.8Å; F21-M66 HydrophobicContact CE1-CB 4.36Å; F21-M66 HydrophobicContact CE1-SD 4.3Å; F21-M66 HydrophobicContact CZ-SD 4.43Å; A23-M66 HydrophobicContact CB-SD 3.58Å; A23-M66 VanDerWaalsContact CB-SD 3.58Å; F35-M66 HydrophobicContact CB-CB 4.22Å; F35-M66 HydrophobicContact CB-CG 4.02Å; F35-M66 HydrophobicContact CD1-CB 4.09Å; F35-M66 HydrophobicContact CD2-CB 3.69Å; F35-M66 HydrophobicContact CD2-CG 4.23Å; F35-M66 HydrophobicContact CE1-CB 4.4Å; F35-M66 HydrophobicContact CE2-CB 4.02Å; F35-M66 HydrophobicContact CG-CB 3.74Å; F35-M66 HydrophobicContact CG-CG 4.11Å; F35-M66 HydrophobicContact CZ-CB 4.37Å; M44-M66 HydrophobicContact CE-CE 4.4Å; M44-M66 HydrophobicContact CE-CG 3.3Å; M44-M66 HydrophobicContact CE-SD 3.86Å; M44-M66 HydrophobicContact SD-CG 4.4Å; E62-M66 WeakPolarHBondContact O-CG 3.39Å; E62-M66 PolarHBondContact O-N 2.75Å; T63-M66 PolarHBondContact O-N 3.03Å; R64-M66 PolarHBondContact O-N 2.81Å; M66-A68 VanDerWaalsContact C-N 3.35Å; M66-H69 PolarHBondContact O-N 3.37Å; M66-S70 WeakPolarHBondContact O-CB 3.45Å; M66-S70 PolarHBondContact O-N 2.89Å |
| 67 | K | 98 | Very high | 97.6 | Very high | 88 Ų | 88 | 61.7 Ų | 61.7 | 38% | 0.383 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63 | -41.9 | 173.8 | -75.4 | -178.2 | 178.3 | -176.9 | 0 | 111.8 | F35 Q42 T63 R64 S70 Q71 | F35-K67 HydrophobicContact CE2-CG 4.21Å; F35-K67 HydrophobicContact CZ-CG 4.01Å; Q42-K67 WeakPolarHBondContact O-CE 3.28Å; Q42-K67 PolarHBondContact O-NZ 2.92Å; T63-K67 HydrophobicContact CG2-CD 4.25Å; T63-K67 WeakPolarHBondContact O-CG 3.24Å; T63-K67 PolarHBondContact O-N 3.25Å; R64-K67 PolarHBondContact O-N 3.37Å; K67-S70 PolarHBondContact O-N 3.21Å; K67-Q71 WeakPolarHBondContact O-CG 3.36Å; K67-Q71 PolarHBondContact O-N 3.01Å |
| 68 | A | 97.9 | Very high | 97.5 | Very high | 55 Ų | 55 | 55.4 Ų | 55.4 | 46% | 0.455 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.8 | -47.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | R64 N65 M66 S70 Q71 T72 | R64-A68 WeakPolarHBondContact O-CB 3.31Å; R64-A68 PolarHBondContact O-N 3.05Å; N65-A68 PolarHBondContact O-N 2.95Å; M66-A68 VanDerWaalsContact C-N 3.35Å; A68-S70 VanDerWaalsContact C-N 3.33Å; A68-S70 PolarHBondContact O-N 3.21Å; A68-Q71 PolarHBondContact O-N 2.69Å; A68-Q71 VanDerWaalsContact O-N 3.16Å; A68-T72 PolarHBondContact O-N 3.14Å; A68-T72 PolarHBondContact O-OG1 2.87Å |
| 69 | H | 96.8 | Very high | 97.5 | Very high | 61 Ų | 61 | 57.2 Ų | 57.2 | 28% | 0.282 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -58.7 | -43 | 175.7 | -82.4 | 85 | 0 | 0 | 0 | 112.5 | F8 F21 N65 M66 Q71 T72 D73 | F8-H69 HydrophobicContact CE2-CB 4.48Å; F8-H69 AromaticContact CE2-CD2 3.68Å; F21-H69 HydrophobicContact CE2-CB 4.26Å; F21-H69 HydrophobicContact CZ-CB 4.02Å; N65-H69 PolarHBondContact O-N 2.79Å; N65-H69 PolarHBondContact O-ND1 2.89Å; M66-H69 PolarHBondContact O-N 3.37Å; H69-Q71 VanDerWaalsContact C-N 3.28Å; H69-Q71 PolarHBondContact O-N 2.68Å; H69-T72 PolarHBondContact O-N 2.91Å; H69-T72 VanDerWaalsContact O-N 3.15Å; H69-D73 PolarHBondContact O-N 2.86Å |
| 70 | S | 97.3 | Very high | 97.5 | Very high | 17 Ų | 17 | 55.9 Ų | 55.9 | 12% | 0.119 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.1 | -38.6 | 176.5 | 175.8 | 0 | 0 | 0 | 0 | 112.8 | F21 M66 K67 A68 R74 | F21-S70 WeakPolarHBondContact CB-OG 3.35Å; M66-S70 WeakPolarHBondContact O-CB 3.45Å; M66-S70 PolarHBondContact O-N 2.89Å; K67-S70 PolarHBondContact O-N 3.21Å; A68-S70 VanDerWaalsContact C-N 3.33Å; A68-S70 PolarHBondContact O-N 3.21Å; S70-R74 WeakPolarHBondContact O-CB 3.48Å; S70-R74 PolarHBondContact O-N 2.84Å; S70-R74 VanDerWaalsContact O-N 3.1Å |
| 71 | Q | 97.3 | Very high | 97.4 | Very high | 110 Ų | 110 | 55.1 Ų | 55.1 | 51% | 0.514 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -71.6 | -39.5 | 175.3 | -63.3 | -53.8 | -45 | 0 | 0 | 112.4 | K67 A68 H69 R74 A75 | K67-Q71 WeakPolarHBondContact O-CG 3.36Å; K67-Q71 PolarHBondContact O-N 3.01Å; A68-Q71 PolarHBondContact O-N 2.69Å; A68-Q71 VanDerWaalsContact O-N 3.16Å; H69-Q71 VanDerWaalsContact C-N 3.28Å; H69-Q71 PolarHBondContact O-N 2.68Å; Q71-R74 WeakPolarHBondContact O-CB 3.43Å; Q71-R74 PolarHBondContact O-N 2.88Å; Q71-A75 PolarHBondContact O-N 3.33Å; Q71-A75 VanDerWaalsContact O-N 3.13Å |
| 72 | T | 97.4 | Very high | 97.4 | Very high | 76 Ų | 76 | 53.5 Ų | 53.5 | 47% | 0.466 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.9 | -47.5 | 174.9 | -62.2 | 0 | 0 | 0 | 0 | 111.1 | A68 H69 R74 A75 N76 | A68-T72 PolarHBondContact O-N 3.14Å; A68-T72 PolarHBondContact O-OG1 2.87Å; H69-T72 PolarHBondContact O-N 2.91Å; H69-T72 VanDerWaalsContact O-N 3.15Å; T72-R74 VanDerWaalsContact C-N 3.32Å; T72-R74 PolarHBondContact O-N 2.79Å; T72-A75 PolarHBondContact O-N 3.21Å; T72-A75 VanDerWaalsContact O-N 3.12Å; T72-N76 WeakPolarHBondContact O-CB 3.37Å; T72-N76 VanDerWaalsContact O-CG 3.27Å; T72-N76 PolarHBondContact O-N 3.27Å; T72-N76 PolarHBondContact O-ND2 3.04Å |
| 73 | D | 96.8 | Very high | 97.4 | Very high | 3 Ų | 3 | 54.8 Ų | 54.8 | 2% | 0.016 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.9 | -36.7 | 178.6 | -86.5 | 16.7 | 0 | 0 | 0 | 112.5 | S10 F21 H69 A75 N76 L77 | S10-D73 WeakPolarHBondContact OG-CB 3.18Å; S10-D73 PolarHBondContact OG-OD2 3.04Å; F21-D73 HydrophobicContact CD2-CB 4.41Å; H69-D73 PolarHBondContact O-N 2.86Å; D73-A75 VanDerWaalsContact C-N 3.34Å; D73-A75 PolarHBondContact O-N 3.23Å; D73-N76 PolarHBondContact O-N 2.86Å; D73-L77 WeakPolarHBondContact O-CG 3.45Å; D73-L77 PolarHBondContact O-N 2.81Å |
| 74 | R | 96.8 | Very high | 97.3 | Very high | 109 Ų | 109 | 57.4 Ų | 57.4 | 41% | 0.411 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -57.5 | -46.7 | 171.6 | 172.8 | -170.7 | 170 | 161.2 | 16.8 | 111.5 | E18 P19 S70 Q71 T72 | E18-R74 IonicContact OE1-CZ 3.71Å; E18-R74 IonicContact OE1-NH1 3.95Å; E18-R74 PolarHBondContact OE1-NH1 2.99Å; E18-R74 IonicContact OE1-NH2 2.95Å; E18-R74 PolarHBondContact OE1-NH2 2.92Å; E18-R74 WeakPolarHBondContact OE2-CD 3.32Å; E18-R74 IonicContact OE2-CZ 2.74Å; E18-R74 IonicContact OE2-NE 3.5Å; E18-R74 PolarHBondContact OE2-NE 3.29Å; E18-R74 IonicContact OE2-NH1 2.76Å; E18-R74 PolarHBondContact OE2-NH1 2.81Å; E18-R74 VanDerWaalsContact OE2-NH1 3.08Å; E18-R74 IonicContact OE2-NH2 3.82Å; E18-R74 PolarHBondContact OE2-NH2 2.87Å; P19-R74 HydrophobicContact CG-CB 4.35Å; P19-R74 HydrophobicContact CG-CG 4.15Å; S70-R74 WeakPolarHBondContact O-CB 3.48Å; S70-R74 PolarHBondContact O-N 2.84Å; S70-R74 VanDerWaalsContact O-N 3.1Å; Q71-R74 WeakPolarHBondContact O-CB 3.43Å; Q71-R74 PolarHBondContact O-N 2.88Å; T72-R74 VanDerWaalsContact C-N 3.32Å; T72-R74 PolarHBondContact O-N 2.79Å |
| 75 | A | 97.3 | Very high | 97.2 | Very high | 60 Ų | 60 | 57 Ų | 57 | 50% | 0.496 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -67.3 | -38.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q71 T72 D73 G78 T79 | Q71-A75 PolarHBondContact O-N 3.33Å; Q71-A75 VanDerWaalsContact O-N 3.13Å; T72-A75 PolarHBondContact O-N 3.21Å; T72-A75 VanDerWaalsContact O-N 3.12Å; D73-A75 VanDerWaalsContact C-N 3.34Å; D73-A75 PolarHBondContact O-N 3.23Å; A75-G78 PolarHBondContact O-N 3.17Å; A75-T79 PolarHBondContact O-N 2.88Å; A75-T79 PolarHBondContact O-OG1 3.28Å |
| 76 | N | 97.6 | Very high | 97.2 | Very high | 62 Ų | 62 | 57.4 Ų | 57.4 | 33% | 0.332 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65.7 | -38.1 | 177.7 | -71.2 | -20.8 | 0 | 0 | 0 | 112.1 | T72 D73 G78 T79 L80 I94 | T72-N76 WeakPolarHBondContact O-CB 3.37Å; T72-N76 VanDerWaalsContact O-CG 3.27Å; T72-N76 PolarHBondContact O-N 3.27Å; T72-N76 PolarHBondContact O-ND2 3.04Å; D73-N76 PolarHBondContact O-N 2.86Å; N76-G78 VanDerWaalsContact C-N 3.29Å; N76-G78 PolarHBondContact O-N 3.34Å; N76-T79 PolarHBondContact O-N 3.5Å; N76-T79 VanDerWaalsContact O-N 3.1Å; N76-L80 WeakPolarHBondContact O-CB 3.49Å; N76-L80 WeakPolarHBondContact O-CG 3.26Å; N76-L80 PolarHBondContact O-N 2.96Å; N76-I94 HydrophobicContact CB-CD1 3.67Å |
| 77 | L | 97.6 | Very high | 97 | Very high | 8 Ų | 8 | 61 Ų | 61 | 4% | 0.042 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -56.9 | -43.3 | 174.5 | -81.1 | 163.1 | 0 | 0 | 0 | 111.5 | P19 D73 R81 H92 I94 Y117 | P19-L77 HydrophobicContact CB-CD1 3.6Å; P19-L77 HydrophobicContact CG-CD1 3.73Å; D73-L77 WeakPolarHBondContact O-CG 3.45Å; D73-L77 PolarHBondContact O-N 2.81Å; L77-R81 VanDerWaalsContact O-CB 3.27Å; L77-R81 WeakPolarHBondContact O-CB 3.46Å; L77-R81 PolarHBondContact O-N 2.8Å; L77-R81 VanDerWaalsContact O-N 3.13Å; L77-H92 HydrophobicContact CD2-CB 4.18Å; L77-I94 HydrophobicContact CB-CD1 4.43Å; L77-I94 HydrophobicContact CD2-CD1 3.99Å; L77-I94 HydrophobicContact CD2-CG1 3.79Å; L77-I94 HydrophobicContact CG-CD1 3.74Å; L77-I94 HydrophobicContact CG-CG1 4.1Å; L77-Y117 HydrophobicContact CD2-CE2 4.39Å |
| 78 | G | 95.9 | Very high | 96.7 | Very high | 37 Ų | 37 | 63.3 Ų | 63.3 | 38% | 0.381 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -66.9 | -39.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | A75 N76 G82 | A75-G78 PolarHBondContact O-N 3.17Å; N76-G78 VanDerWaalsContact C-N 3.29Å; N76-G78 PolarHBondContact O-N 3.34Å; G78-G82 PolarHBondContact O-N 2.88Å; G78-G82 VanDerWaalsContact O-N 3.17Å |
| 79 | T | 97.4 | Very high | 96.4 | Very high | 57 Ų | 57 | 64.9 Ų | 64.9 | 35% | 0.35 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65.6 | -49.2 | 179 | -60.1 | 0 | 0 | 0 | 0 | 111.8 | A75 N76 G82 Y83 | A75-T79 PolarHBondContact O-N 2.88Å; A75-T79 PolarHBondContact O-OG1 3.28Å; N76-T79 PolarHBondContact O-N 3.5Å; N76-T79 VanDerWaalsContact O-N 3.1Å; T79-G82 WeakPolarHBondContact O-CA 3.34Å; T79-G82 PolarHBondContact O-N 3.28Å; T79-G82 VanDerWaalsContact O-N 3.13Å; T79-Y83 HydrophobicContact CG2-CD1 4.33Å; T79-Y83 HydrophobicContact CG2-CD2 4.44Å; T79-Y83 HydrophobicContact CG2-CE1 3.75Å; T79-Y83 HydrophobicContact CG2-CE2 3.87Å; T79-Y83 VanDerWaalsContact CG2-CZ 3.48Å; T79-Y83 PolarHBondContact O-N 2.96Å |
| 80 | L | 97.8 | Very high | 96.2 | Very high | 13 Ų | 13 | 63 Ų | 63 | 7% | 0.068 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63.5 | -44.3 | 179.8 | -68.1 | 176 | 0 | 0 | 0 | 111.1 | N76 G82 Y83 Y84 I94 Y117 Y122 | N76-L80 WeakPolarHBondContact O-CB 3.49Å; N76-L80 WeakPolarHBondContact O-CG 3.26Å; N76-L80 PolarHBondContact O-N 2.96Å; L80-G82 PolarHBondContact O-N 2.79Å; L80-Y83 HydrophobicContact CD2-CD2 4.25Å; L80-Y83 PolarHBondContact O-N 2.04Å; L80-Y84 HydrophobicContact CD2-CE2 4.49Å; L80-Y84 VanDerWaalsContact O-CD2 3.24Å; L80-Y84 WeakPolarHBondContact O-CD2 3.38Å; L80-Y84 PolarHBondContact O-N 2.86Å; L80-I94 HydrophobicContact CD1-CD1 3.58Å; L80-I94 HydrophobicContact CD1-CG1 3.68Å; L80-Y117 HydrophobicContact CB-CD1 4.42Å; L80-Y117 HydrophobicContact CB-CD2 4.17Å; L80-Y117 HydrophobicContact CB-CE1 4.07Å; L80-Y117 HydrophobicContact CB-CE2 3.8Å; L80-Y117 HydrophobicContact CB-CG 4.46Å; L80-Y117 HydrophobicContact CD1-CD2 3.47Å; L80-Y117 VanDerWaalsContact CD1-CD2 3.47Å; L80-Y117 HydrophobicContact CD1-CE2 3.85Å; L80-Y117 HydrophobicContact CD1-CG 3.88Å; L80-Y117 HydrophobicContact CG-CD2 4.44Å; L80-Y117 HydrophobicContact CG-CE2 4.49Å; L80-Y122 HydrophobicContact CD2-CD2 4.36Å; L80-Y122 HydrophobicContact CD2-CE1 3.84Å; L80-Y122 HydrophobicContact CD2-CE2 3.59Å; L80-Y122 VanDerWaalsContact CD2-OH 3.28Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.44Å |
| 81 | R | 96.6 | Very high | 96.2 | Very high | 71 Ų | 71 | 65.8 Ų | 65.8 | 27% | 0.268 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -52.8 | -41.6 | 173.1 | -173.5 | -174.6 | 67.8 | 176.3 | 10.7 | 111.8 | L77 N85 Q86 E88 | L77-R81 VanDerWaalsContact O-CB 3.27Å; L77-R81 WeakPolarHBondContact O-CB 3.46Å; L77-R81 PolarHBondContact O-N 2.8Å; L77-R81 VanDerWaalsContact O-N 3.13Å; R81-N85 PolarHBondContact O-N 2.9Å; R81-N85 VanDerWaalsContact O-N 3.14Å; R81-Q86 HydrophobicContact CG-CB 3.82Å; R81-Q86 WeakPolarHBondContact CG-O 3.12Å; R81-Q86 PolarHBondContact O-N 2.89Å; R81-E88 IonicContact CZ-OE1 2.68Å; R81-E88 IonicContact NH1-OE1 2.64Å; R81-E88 IonicContact NH2-OE1 3.05Å; R81-E88 PolarHBondContact NH2-OE1 3.01Å |
| 82 | G | 96.7 | Very high | 96.2 | Very high | 43 Ų | 43 | 61.3 Ų | 61.3 | 44% | 0.443 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.4 | -46.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | G78 T79 L80 Y84 N85 | G78-G82 PolarHBondContact O-N 2.88Å; G78-G82 VanDerWaalsContact O-N 3.17Å; T79-G82 WeakPolarHBondContact O-CA 3.34Å; T79-G82 PolarHBondContact O-N 3.28Å; T79-G82 VanDerWaalsContact O-N 3.13Å; L80-G82 PolarHBondContact O-N 2.79Å; G82-Y84 VanDerWaalsContact C-N 3.26Å; G82-Y84 PolarHBondContact O-N 2.82Å; G82-N85 PolarHBondContact O-N 2.93Å; G82-N85 VanDerWaalsContact O-N 3.12Å |
| 83 | Y | 97.8 | Very high | 96.3 | Very high | 55 Ų | 55 | 59.2 Ų | 59.2 | 22% | 0.216 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -59.6 | -36.9 | 178.2 | -68.6 | -7.2 | 0 | 0 | 0 | 112.8 | T79 L80 I141 K145 | T79-Y83 HydrophobicContact CG2-CD1 4.33Å; T79-Y83 HydrophobicContact CG2-CD2 4.44Å; T79-Y83 HydrophobicContact CG2-CE1 3.75Å; T79-Y83 HydrophobicContact CG2-CE2 3.87Å; T79-Y83 VanDerWaalsContact CG2-CZ 3.48Å; T79-Y83 PolarHBondContact O-N 2.96Å; L80-Y83 HydrophobicContact CD2-CD2 4.25Å; L80-Y83 PolarHBondContact O-N 2.04Å; Y83-I141 HydrophobicContact CD1-CD1 4.26Å; Y83-I141 HydrophobicContact CD2-CD1 4.4Å; Y83-I141 HydrophobicContact CE1-CD1 4.42Å; Y83-I141 HydrophobicContact CE1-CG2 4.2Å; Y83-I141 HydrophobicContact CE2-CB 4.07Å; Y83-I141 HydrophobicContact CE2-CG2 4Å; Y83-I141 HydrophobicContact CG-CD1 4.25Å; Y83-K145 PolarHBondContact OH-NZ 3.17Å |
| 84 | Y | 97.6 | Very high | 96.4 | Very high | 66 Ų | 66 | 59.4 Ų | 59.4 | 26% | 0.259 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 3.4 | 179.2 | -69.5 | -73.3 | 0 | 0 | 0 | 114.1 | L80 G82 Q86 Y117 Y122 D136 A138 | L80-Y84 HydrophobicContact CD2-CE2 4.49Å; L80-Y84 VanDerWaalsContact O-CD2 3.24Å; L80-Y84 WeakPolarHBondContact O-CD2 3.38Å; L80-Y84 PolarHBondContact O-N 2.86Å; G82-Y84 VanDerWaalsContact C-N 3.26Å; G82-Y84 PolarHBondContact O-N 2.82Å; Y84-Q86 PolarHBondContact O-N 3.24Å; Y84-Y117 AromaticContact CD2-CD1 3.72Å; Y84-Y117 HydrophobicContact CD2-CD1 3.72Å; Y84-Y117 AromaticContact CD2-CE1 3.5Å; Y84-Y117 HydrophobicContact CD2-CE1 3.5Å; Y84-Y117 AromaticContact CE2-CD1 3.51Å; Y84-Y117 HydrophobicContact CE2-CD1 3.51Å; Y84-Y117 AromaticContact CE2-CE1 3.82Å; Y84-Y117 HydrophobicContact CE2-CE1 3.82Å; Y84-Y117 HydrophobicContact CE2-CG 4.48Å; Y84-Y117 HydrophobicContact CG-CE1 4.38Å; Y84-Y122 HydrophobicContact CE2-CD2 4.36Å; Y84-Y122 HydrophobicContact CE2-CE2 4.06Å; Y84-Y122 VanDerWaalsContact OH-CD2 3.28Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.37Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.37Å; Y84-D136 VanDerWaalsContact CE1-OD2 3.22Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.37Å; Y84-D136 VanDerWaalsContact OH-CG 3.23Å; Y84-D136 PolarHBondContact OH-OD1 2.72Å; Y84-D136 VanDerWaalsContact OH-OD1 3.14Å; Y84-D136 PolarHBondContact OH-OD2 2.65Å; Y84-A138 HydrophobicContact CD1-CB 4.16Å; Y84-A138 HydrophobicContact CD2-CB 4.42Å; Y84-A138 HydrophobicContact CE1-CB 3.6Å; Y84-A138 HydrophobicContact CE2-CB 3.89Å; Y84-A138 VanDerWaalsContact CZ-CB 3.45Å |
| 85 | N | 96.5 | Very high | 96.5 | Very high | 152 Ų | 152 | 58 Ų | 58 | 81% | 0.813 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 40 | -177.3 | -58.2 | -58.9 | 0 | 0 | 0 | 113.5 | R81 G82 | R81-N85 PolarHBondContact O-N 2.9Å; R81-N85 VanDerWaalsContact O-N 3.14Å; G82-N85 PolarHBondContact O-N 2.93Å; G82-N85 VanDerWaalsContact O-N 3.12Å |
| 86 | Q | 96.6 | Very high | 96.5 | Very high | 60 Ų | 60 | 55.5 Ų | 55.5 | 28% | 0.28 | 33% | 0.325 | S | S | . | . | trans | -88.4 | 152.5 | -176.7 | -70.5 | 165.8 | -35.3 | 0 | 0 | 112 | R81 Y84 H92 Y117 D118 | R81-Q86 HydrophobicContact CG-CB 3.82Å; R81-Q86 WeakPolarHBondContact CG-O 3.12Å; R81-Q86 PolarHBondContact O-N 2.89Å; Y84-Q86 PolarHBondContact O-N 3.24Å; Q86-H92 PolarHBondContact NE2-CE1 3.41Å; Q86-H92 PolarHBondContact OE1-CE1 3.22Å; Q86-H92 VanDerWaalsContact OE1-CE1 3.25Å; Q86-H92 PolarHBondContact OE1-ND1 2.74Å; Q86-Y117 PolarHBondContact OE1-OH 2.94Å; Q86-D118 PolarHBondContact NE2-OD2 3.43Å | ||
| 87 | S | 94.2 | Very high | 96.6 | Very high | 79 Ų | 79 | 54 Ų | 54 | 55% | 0.552 | 32% | 0.317 | S | S | * | . | trans | -71.3 | 152.5 | -178.8 | 74.7 | 0 | 0 | 0 | 0 | 113 | A89 G90 | S87-A89 PolarHBondContact O-N 2.98Å; S87-G90 PolarHBondContact O-N 2.87Å | ||
| 88 | E | 90.7 | Very high | 96.6 | Very high | 136 Ų | 136 | 54.6 Ų | 54.6 | 64% | 0.636 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -19.6 | 177.7 | -54.9 | -154.7 | 125.2 | 0 | 0 | 114.6 | P14 R81 G90 | P14-E88 WeakPolarHBondContact CB-O 3.23Å; P14-E88 WeakPolarHBondContact CG-O 2.96Å; R81-E88 IonicContact CZ-OE1 2.68Å; R81-E88 IonicContact NH1-OE1 2.64Å; R81-E88 IonicContact NH2-OE1 3.05Å; R81-E88 PolarHBondContact NH2-OE1 3.01Å; E88-G90 VanDerWaalsContact C-N 3.28Å |
| 89 | A | 91.8 | Very high | 96.7 | Very high | 87 Ų | 87 | 52.9 Ų | 52.9 | 72% | 0.719 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -15.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113 | S87 | S87-A89 PolarHBondContact O-N 2.98Š|
| 90 | G | 92.9 | Very high | 96.8 | Very high | 22 Ų | 22 | 50.1 Ų | 50.1 | 23% | 0.227 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -76.4 | 135.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | P14 S87 E88 H92 | P14-G90 WeakPolarHBondContact CG-O 3.04Å; S87-G90 PolarHBondContact O-N 2.87Å; E88-G90 VanDerWaalsContact C-N 3.28Å; G90-H92 PolarHBondContact O-CD2 3.44Å |
| 91 | S | 97 | Very high | 96.8 | Very high | 75 Ų | 75 | 50.8 Ų | 50.8 | 52% | 0.524 | 29% | 0.287 | S | S | . | . | trans | -84.8 | 123.7 | 167.3 | 178.5 | 0 | 0 | 0 | 0 | 108.8 | S12 | S12-S91 PolarHBondContact O-OG 3.36Š| ||
| 92 | H | 98.1 | Very high | 96.8 | Very high | 16 Ų | 16 | 47.4 Ų | 47.4 | 7% | 0.074 | 28% | 0.275 | C | S | . | . | trans | -120.4 | 153.7 | -179.6 | -60.1 | -74.9 | 0 | 0 | 0 | 112.1 | S12 L77 Q86 G90 Y117 D118 | S12-H92 PolarHBondContact N-O 3.37Å; S12-H92 WeakPolarHBondContact OG-CA 3.32Å; S12-H92 PolarHBondContact OG-N 3.45Å; S12-H92 PolarHBondContact OG-O 2.82Å; L77-H92 HydrophobicContact CD2-CB 4.18Å; Q86-H92 PolarHBondContact NE2-CE1 3.41Å; Q86-H92 PolarHBondContact OE1-CE1 3.22Å; Q86-H92 VanDerWaalsContact OE1-CE1 3.25Å; Q86-H92 PolarHBondContact OE1-ND1 2.74Å; G90-H92 PolarHBondContact O-CD2 3.44Å; H92-Y117 HydrophobicContact CB-CE2 3.83Å; H92-Y117 WeakPolarHBondContact CB-OH 3.47Å; H92-Y117 VanDerWaalsContact CG-OH 3.22Å; H92-Y117 AromaticContact ND1-CZ 3.96Å; H92-Y117 PolarHBondContact ND1-OH 3.25Å; H92-D118 WeakPolarHBondContact CA-OD1 3.27Å; H92-D118 WeakPolarHBondContact CB-OD1 3.39Å; H92-D118 IonicContact CE1-OD2 3.36Å; H92-D118 IonicContact CG-OD1 2.69Å; H92-D118 IonicContact CG-OD2 3.65Å; H92-D118 IonicContact ND1-OD1 3.29Å; H92-D118 IonicContact ND1-OD2 2.89Å; H92-D118 PolarHBondContact ND1-OD2 3.2Å | ||
| 93 | T | 98.6 | Very high | 96.8 | Very high | 32 Ų | 32 | 45.8 Ų | 45.8 | 20% | 0.196 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 131.3 | -174.8 | -56.4 | 0 | 0 | 0 | 0 | 111.2 | T9 S10 V11 Q95 Y117 D118 | T9-T93 HydrophobicContact CG2-CG2 3.99Å; S10-T93 CarbonylContact O-C 3.55Å; S10-T93 VanDerWaalsContact O-CA 3.27Å; S10-T93 WeakPolarHBondContact O-CA 3.4Å; V11-T93 HydrophobicContact CG2-CG2 4.16Å; T93-Q95 HydrophobicContact CG2-CG 3.96Å; T93-Y117 CarbonylContact O-C 3.58Å; T93-Y117 WeakPolarHBondContact O-CA 3.25Å; T93-Y117 VanDerWaalsContact O-CD2 3.23Å; T93-Y117 WeakPolarHBondContact O-CD2 3.18Å; T93-D118 PolarHBondContact N-OD1 2.82Å; T93-D118 PolarHBondContact O-N 3.48Å |
| 94 | I | 98.7 | Very high | 96.6 | Very high | 8 Ų | 8 | 48.9 Ų | 48.9 | 4% | 0.041 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 135.1 | 163.7 | -65.1 | 173.2 | 0 | 0 | 0 | 108 | T9 S10 N76 L77 L80 I96 A116 Y117 | T9-I94 WeakPolarHBondContact CA-O 3.4Å; S10-I94 PolarHBondContact N-O 3.18Å; S10-I94 PolarHBondContact O-N 3.03Å; N76-I94 HydrophobicContact CB-CD1 3.67Å; L77-I94 HydrophobicContact CB-CD1 4.43Å; L77-I94 HydrophobicContact CD2-CD1 3.99Å; L77-I94 HydrophobicContact CD2-CG1 3.79Å; L77-I94 HydrophobicContact CG-CD1 3.74Å; L77-I94 HydrophobicContact CG-CG1 4.1Å; L80-I94 HydrophobicContact CD1-CD1 3.58Å; L80-I94 HydrophobicContact CD1-CG1 3.68Å; I94-I96 HydrophobicContact CG2-CD1 4.17Å; I94-I96 HydrophobicContact CG2-CG1 4.07Å; I94-A116 WeakPolarHBondContact CA-O 3.44Å; I94-Y117 HydrophobicContact CG1-CD2 3.87Å; I94-Y117 HydrophobicContact CG1-CE2 4.28Å |
| 95 | Q | 98.8 | Very high | 96.4 | Very high | 80 Ų | 80 | 49.8 Ų | 49.8 | 37% | 0.374 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 138 | 171.9 | -65.9 | 170.7 | -94.7 | 0 | 0 | 109.2 | F8 T9 T93 D115 A116 | F8-Q95 WeakPolarHBondContact O-CA 3.41Å; T9-Q95 HydrophobicContact CG2-CG 4.13Å; T93-Q95 HydrophobicContact CG2-CG 3.96Å; Q95-D115 CarbonylContact O-C 3.58Å; Q95-D115 WeakPolarHBondContact O-CA 3.24Å; Q95-A116 HydrophobicContact CB-CB 4.3Å; Q95-A116 PolarHBondContact N-O 2.94Å; Q95-A116 PolarHBondContact O-N 2.84Å |
| 96 | I | 98.5 | Very high | 96.2 | Very high | 6 Ų | 6 | 43.3 Ų | 43.3 | 3% | 0.031 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 134.6 | -179.5 | -67.1 | 163.1 | 0 | 0 | 0 | 107.9 | F7 F8 I94 Y98 R113 Q114 D115 | F7-I96 CarbonylContact C-O 3.54Å; F7-I96 VanDerWaalsContact CA-O 3.28Å; F7-I96 WeakPolarHBondContact CA-O 3.29Å; F8-I96 HydrophobicContact CB-CB 4.2Å; F8-I96 HydrophobicContact CD2-CB 4.48Å; F8-I96 HydrophobicContact CD2-CG2 4.39Å; F8-I96 PolarHBondContact N-O 3.18Å; F8-I96 PolarHBondContact O-N 2.93Å; I94-I96 HydrophobicContact CG2-CD1 4.17Å; I94-I96 HydrophobicContact CG2-CG1 4.07Å; I96-Y98 HydrophobicContact CG2-CD1 4.07Å; I96-R113 VanDerWaalsContact CG2-NH1 3.28Å; I96-Q114 CarbonylContact C-O 3.56Å; I96-Q114 WeakPolarHBondContact CA-O 3.28Å; I96-D115 HydrophobicContact CG1-CB 4.37Å |
| 97 | M | 98.4 | Very high | 96.2 | Very high | 32 Ų | 32 | 48.4 Ų | 48.4 | 16% | 0.158 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 131 | 167.5 | -178.6 | -81.2 | -69.4 | 0 | 0 | 109.3 | Y6 F7 R113 Q114 | Y6-M97 WeakPolarHBondContact O-CA 3.49Å; F7-M97 HydrophobicContact CD1-CB 3.87Å; F7-M97 HydrophobicContact CD1-CG 3.67Å; F7-M97 HydrophobicContact CE1-CB 3.98Å; F7-M97 HydrophobicContact CE1-CG 3.34Å; F7-M97 HydrophobicContact CZ-CG 3.93Å; M97-R113 CarbonylContact O-C 3.47Å; M97-R113 WeakPolarHBondContact O-CA 3.39Å; M97-Q114 HydrophobicContact CE-CB 4.37Å; M97-Q114 HydrophobicContact CE-CG 4.13Å; M97-Q114 PolarHBondContact N-O 2.97Å; M97-Q114 PolarHBondContact O-N 3.28Å |
| 98 | Y | 98.1 | Very high | 96.4 | Very high | 20 Ų | 20 | 47.1 Ų | 47.1 | 8% | 0.078 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 158.5 | 169.1 | 70.9 | -81.6 | 0 | 0 | 0 | 111.4 | R5 Y6 F8 I96 Y112 Y158 | R5-Y98 WeakPolarHBondContact CA-O 3.45Å; Y6-Y98 AromaticContact CD2-CE2 3.89Å; Y6-Y98 HydrophobicContact CD2-CE2 3.89Å; Y6-Y98 AromaticContact CD2-CZ 3.94Å; Y6-Y98 HydrophobicContact CG-CE1 4.43Å; Y6-Y98 HydrophobicContact CG-CE2 4.4Å; Y6-Y98 AromaticContact CG-CZ 4Å; Y6-Y98 PolarHBondContact N-O 3.2Å; Y6-Y98 PolarHBondContact O-N 3.27Å; F8-Y98 HydrophobicContact CD2-CE1 4.3Å; F8-Y98 HydrophobicContact CE1-CE1 4.15Å; F8-Y98 AromaticContact CE2-CE1 3.54Å; F8-Y98 HydrophobicContact CE2-CE1 3.54Å; F8-Y98 AromaticContact CZ-CE1 3.44Å; F8-Y98 HydrophobicContact CZ-CE1 3.44Å; F8-Y98 VanDerWaalsContact CZ-CE1 3.44Å; F8-Y98 AromaticContact CZ-CZ 3.84Å; F8-Y98 VanDerWaalsContact CZ-OH 3.31Å; F8-Y98 WeakPolarHBondContact CZ-OH 3.26Å; I96-Y98 HydrophobicContact CG2-CD1 4.07Å; Y98-Y112 WeakPolarHBondContact CA-O 3.39Å; Y98-Y112 WeakPolarHBondContact CB-O 3.01Å; Y98-Y158 AromaticContact CD2-CE1 3.94Å; Y98-Y158 HydrophobicContact CD2-CE1 3.94Å; Y98-Y158 AromaticContact CE2-CE1 3.67Å; Y98-Y158 HydrophobicContact CE2-CE1 3.67Å |
| 99 | G | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 168.6 | 178.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | M4 G111 Y112 L159 | M4-G99 CarbonylContact O-C 3.59Å; M4-G99 WeakPolarHBondContact O-CA 3.36Å; G99-G111 CarbonylContact O-C 3.59Å; G99-G111 WeakPolarHBondContact O-CA 3.38Å; G99-Y112 PolarHBondContact N-O 3.14Å; G99-Y112 VanDerWaalsContact N-O 3.1Å; G99-Y112 PolarHBondContact O-N 3.12Å; G99-L159 VanDerWaalsContact O-CD2 3.25Å; G99-L159 WeakPolarHBondContact O-CD2 3.3Å |
| 100 | C | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 149.1 | 178.7 | 57.8 | 0 | 0 | 0 | 0 | 111.1 | S3 M4 F108 R110 L159 C163 V164 | S3-C100 WeakPolarHBondContact CA-O 3.4Å; M4-C100 PolarHBondContact N-O 2.83Å; M4-C100 PolarHBondContact O-N 2.92Å; C100-F108 HydrophobicContact CB-CD2 4.44Å; C100-F108 HydrophobicContact CB-CE2 4.12Å; C100-R110 CarbonylContact C-O 3.59Å; C100-R110 WeakPolarHBondContact CA-O 3.49Å; C100-L159 WeakPolarHBondContact CB-O 3.46Å; C100-C163 HydrophobicContact CB-CB 3.89Å; C100-C163 WeakPolarHBondContact CB-SG 3.29Å; C100-C163 PolarHBondContact N-SG 2.94Å; C100-C163 VanDerWaalsContact N-SG 3.41Å; C100-C163 WeakPolarHBondContact SG-CB 3.35Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 3.41Å; C100-V164 HydrophobicContact CB-CG2 4.49Å |
| 101 | D | 98.2 | Very high | 97.2 | Very high | 26 Ų | 26 | 45 Ų | 45 | 14% | 0.139 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 143.7 | 171.9 | -65.3 | -8.4 | 0 | 0 | 0 | 110.1 | H2 S3 R5 L109 R110 Y112 | H2-D101 CarbonylContact O-C 3.58Å; H2-D101 WeakPolarHBondContact O-CA 3.18Å; S3-D101 WeakPolarHBondContact CB-OD1 3.31Å; R5-D101 IonicContact CZ-OD1 3.71Å; R5-D101 IonicContact NH2-OD1 3.63Å; R5-D101 PolarHBondContact NH2-OD1 3.48Å; R5-D101 IonicContact NH2-OD2 3.02Å; D101-L109 HydrophobicContact CB-CB 4.36Å; D101-L109 PolarHBondContact O-N 3.34Å; D101-R110 HydrophobicContact CB-CB 4.5Å; D101-R110 PolarHBondContact N-O 2.9Å; D101-Y112 HydrophobicContact CB-CE2 4.41Å; D101-Y112 VanDerWaalsContact CG-CE2 3.48Å; D101-Y112 WeakPolarHBondContact OD1-CE2 3.22Å; D101-Y112 VanDerWaalsContact OD2-CE2 3.31Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.47Å; D101-Y112 VanDerWaalsContact OD2-CZ 3.31Å; D101-Y112 PolarHBondContact OD2-OH 3.32Å |
| 102 | V | 98.1 | Very high | 97.1 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.006 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 147.8 | 175.3 | -61.3 | 0 | 0 | 0 | 0 | 111.9 | S1 H2 R107 V164 L167 L171 | S1-V102 WeakPolarHBondContact CA-O 3.48Å; S1-V102 VanDerWaalsContact CB-O 3.3Å; S1-V102 WeakPolarHBondContact CB-O 3.3Å; H2-V102 HydrophobicContact CB-CG2 3.98Å; H2-V102 PolarHBondContact N-O 3.44Å; H2-V102 PolarHBondContact O-N 2.92Å; V102-R107 CarbonylContact C-O 3.55Å; V102-R107 WeakPolarHBondContact CA-O 3.31Å; V102-R107 WeakPolarHBondContact CB-O 3.4Å; V102-V164 HydrophobicContact CG1-CB 4.37Å; V102-V164 HydrophobicContact CG1-CG1 3.85Å; V102-V164 HydrophobicContact CG1-CG2 4.06Å; V102-L167 HydrophobicContact CB-CD2 4.34Å; V102-L167 HydrophobicContact CG1-CD2 3.92Å; V102-L167 HydrophobicContact CG2-CD2 3.62Å; V102-L167 HydrophobicContact CG2-CG 4.16Å; V102-L171 HydrophobicContact CG2-CD1 4.42Å |
| 103 | G | 96.6 | Very high | 97.1 | Very high | 9 Ų | 9 | 43.6 Ų | 43.6 | 9% | 0.093 | 22% | 0.219 | C | C | . | . | trans | -68.1 | 173.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | D105 G106 R107 | G103-D105 PolarHBondContact O-N 3.46Å; G103-G106 WeakPolarHBondContact O-CA 3.48Å; G103-G106 PolarHBondContact O-N 2.86Å; G103-R107 PolarHBondContact N-O 2.85Å | ||
| 104 | S | 92.4 | Very high | 97.1 | Very high | 120 Ų | 120 | 46.1 Ų | 46.1 | 84% | 0.839 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -22.3 | 171.7 | 52.6 | 0 | 0 | 0 | 0 | 112.9 | G106 | S104-G106 VanDerWaalsContact C-N 3.25Š|
| 105 | D | 93.3 | Very high | 97.1 | Very high | 85 Ų | 85 | 46.6 Ų | 46.6 | 46% | 0.455 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | 4.1 | 172 | 60.8 | 6.3 | 0 | 0 | 0 | 113.2 | G103 R107 | G103-D105 PolarHBondContact O-N 3.46Å; D105-R107 PolarHBondContact O-N 3.4Å; D105-R107 WeakPolarHBondContact OD1-CB 3.36Å; D105-R107 PolarHBondContact OD1-N 2.86Å; D105-R107 IonicContact OD1-NE 2.8Å; D105-R107 IonicContact OD2-CZ 3.6Å; D105-R107 IonicContact OD2-NE 3.65Å; D105-R107 PolarHBondContact OD2-NE 3.14Å; D105-R107 IonicContact OD2-NH2 3.52Å; D105-R107 PolarHBondContact OD2-NH2 3.05Å |
| 106 | G | 93.5 | Very high | 97.1 | Very high | 15 Ų | 15 | 43.6 Ų | 43.6 | 16% | 0.155 | 22% | 0.22 | C | C | . | . | S | Bend | trans | 73.1 | 3.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | G103 S104 R168 | G103-G106 WeakPolarHBondContact O-CA 3.48Å; G103-G106 PolarHBondContact O-N 2.86Å; S104-G106 VanDerWaalsContact C-N 3.25Å; G106-R168 PolarHBondContact O-NE 2.62Å; G106-R168 PolarHBondContact O-NH2 2.87Å |
| 107 | R | 96.6 | Very high | 97.1 | Very high | 167 Ų | 167 | 43.8 Ų | 43.8 | 63% | 0.63 | 22% | 0.22 | S | C | * | . | trans | -76.5 | 148.7 | 178.9 | -68.7 | -170.8 | -70.1 | 173.9 | -3.8 | 111.5 | V102 G103 D105 L109 | V102-R107 CarbonylContact C-O 3.55Å; V102-R107 WeakPolarHBondContact CA-O 3.31Å; V102-R107 WeakPolarHBondContact CB-O 3.4Å; G103-R107 PolarHBondContact N-O 2.85Å; D105-R107 PolarHBondContact O-N 3.4Å; D105-R107 WeakPolarHBondContact OD1-CB 3.36Å; D105-R107 PolarHBondContact OD1-N 2.86Å; D105-R107 IonicContact OD1-NE 2.8Å; D105-R107 IonicContact OD2-CZ 3.6Å; D105-R107 IonicContact OD2-NE 3.65Å; D105-R107 PolarHBondContact OD2-NE 3.14Å; D105-R107 IonicContact OD2-NH2 3.52Å; D105-R107 PolarHBondContact OD2-NH2 3.05Å; R107-L109 PolarHBondContact O-N 3.29Å | ||
| 108 | F | 97.9 | Very high | 97.1 | Very high | 53 Ų | 53 | 45.1 Ų | 45.1 | 23% | 0.232 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.4 | 131.4 | 175.8 | -178.6 | -107.6 | 0 | 0 | 0 | 111.1 | C100 R110 G111 L129 L159 D160 V164 | C100-F108 HydrophobicContact CB-CD2 4.44Å; C100-F108 HydrophobicContact CB-CE2 4.12Å; F108-R110 VanDerWaalsContact CE2-O 3.29Å; F108-R110 WeakPolarHBondContact CE2-O 3.5Å; F108-G111 VanDerWaalsContact CZ-N 3.28Å; F108-L129 HydrophobicContact CE1-CD1 3.92Å; F108-L129 HydrophobicContact CZ-CD1 3.66Å; F108-L159 WeakPolarHBondContact CE2-O 3.34Å; F108-D160 WeakPolarHBondContact CB-OD1 3.35Å; F108-D160 HydrophobicContact CD1-CB 4.42Å; F108-D160 WeakPolarHBondContact CD1-OD1 3.25Å; F108-D160 HydrophobicContact CE1-CB 4.4Å; F108-D160 HydrophobicContact CE2-CB 4.48Å; F108-D160 HydrophobicContact CG-CB 4.47Å; F108-D160 WeakPolarHBondContact CG-OD1 3.38Å; F108-D160 HydrophobicContact CZ-CB 4.41Å; F108-V164 HydrophobicContact CB-CG2 4.04Å; F108-V164 HydrophobicContact CD2-CG2 3.62Å; F108-V164 HydrophobicContact CG-CG2 4.29Å |
| 109 | L | 97.2 | Very high | 97.1 | Very high | 107 Ų | 107 | 46.9 Ų | 46.9 | 56% | 0.56 | 25% | 0.253 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.1 | -48.5 | 173.9 | -67.6 | 179.8 | 0 | 0 | 0 | 111.7 | D101 R107 | D101-L109 HydrophobicContact CB-CB 4.36Å; D101-L109 PolarHBondContact O-N 3.34Å; R107-L109 PolarHBondContact O-N 3.29Å |
| 110 | R | 96.8 | Very high | 97.1 | Very high | 89 Ų | 89 | 54.5 Ų | 54.5 | 34% | 0.336 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 148.8 | -172.8 | -175.7 | 164 | 168.6 | 162 | 7.6 | 111.4 | C100 D101 F108 Y112 E127 | C100-R110 CarbonylContact C-O 3.59Å; C100-R110 WeakPolarHBondContact CA-O 3.49Å; D101-R110 HydrophobicContact CB-CB 4.5Å; D101-R110 PolarHBondContact N-O 2.9Å; F108-R110 VanDerWaalsContact CE2-O 3.29Å; F108-R110 WeakPolarHBondContact CE2-O 3.5Å; R110-Y112 HydrophobicContact CB-CE2 4.21Å; R110-Y112 VanDerWaalsContact CD-CZ 3.46Å; R110-Y112 VanDerWaalsContact CD-OH 3.23Å; R110-Y112 WeakPolarHBondContact CD-OH 3.42Å; R110-Y112 HydrophobicContact CG-CD1 4.49Å; R110-Y112 HydrophobicContact CG-CE1 3.89Å; R110-Y112 HydrophobicContact CG-CE2 3.89Å; R110-E127 IonicContact CZ-OE1 2.71Å; R110-E127 IonicContact NH1-OE1 3.02Å; R110-E127 PolarHBondContact NH1-OE1 2.88Å; R110-E127 IonicContact NH2-OE1 2.78Å; R110-E127 PolarHBondContact NH2-OE1 3.43Å |
| 111 | G | 97.5 | Very high | 97.1 | Very high | 4 Ų | 4 | 60.5 Ų | 60.5 | 4% | 0.041 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 154.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | G99 F108 | G99-G111 CarbonylContact O-C 3.59Å; G99-G111 WeakPolarHBondContact O-CA 3.38Å; F108-G111 VanDerWaalsContact CZ-N 3.28Å |
| 112 | Y | 95.8 | Very high | 97.1 | Very high | 37 Ų | 37 | 59.9 Ų | 59.9 | 15% | 0.145 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 142.1 | -178.7 | -49.5 | -95.2 | 0 | 0 | 0 | 110 | Y98 G99 D101 R110 | Y98-Y112 WeakPolarHBondContact CA-O 3.39Å; Y98-Y112 WeakPolarHBondContact CB-O 3.01Å; G99-Y112 PolarHBondContact N-O 3.14Å; G99-Y112 VanDerWaalsContact N-O 3.1Å; G99-Y112 PolarHBondContact O-N 3.12Å; D101-Y112 HydrophobicContact CB-CE2 4.41Å; D101-Y112 VanDerWaalsContact CG-CE2 3.48Å; D101-Y112 WeakPolarHBondContact OD1-CE2 3.22Å; D101-Y112 VanDerWaalsContact OD2-CE2 3.31Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.47Å; D101-Y112 VanDerWaalsContact OD2-CZ 3.31Å; D101-Y112 PolarHBondContact OD2-OH 3.32Å; R110-Y112 HydrophobicContact CB-CE2 4.21Å; R110-Y112 VanDerWaalsContact CD-CZ 3.46Å; R110-Y112 VanDerWaalsContact CD-OH 3.23Å; R110-Y112 WeakPolarHBondContact CD-OH 3.42Å; R110-Y112 HydrophobicContact CG-CD1 4.49Å; R110-Y112 HydrophobicContact CG-CE1 3.89Å; R110-Y112 HydrophobicContact CG-CE2 3.89Å |
| 113 | R | 98 | Very high | 97.1 | Very high | 25 Ų | 25 | 60 Ų | 60 | 9% | 0.094 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 119.9 | 161 | 173.8 | 65.8 | -174.9 | -147.7 | 2.6 | 107.7 | I96 M97 D115 A124 L125 W132 L155 | I96-R113 VanDerWaalsContact CG2-NH1 3.28Å; M97-R113 CarbonylContact O-C 3.47Å; M97-R113 WeakPolarHBondContact O-CA 3.39Å; R113-D115 IonicContact CZ-OD1 3.89Å; R113-D115 IonicContact CZ-OD2 2.71Å; R113-D115 IonicContact NE-OD1 3.73Å; R113-D115 PolarHBondContact NE-OD1 2.6Å; R113-D115 IonicContact NE-OD2 3.87Å; R113-D115 IonicContact NH2-OD1 2.91Å; R113-D115 PolarHBondContact NH2-OD1 3.39Å; R113-D115 IonicContact NH2-OD2 2.69Å; R113-D115 PolarHBondContact NH2-OD2 2.91Å; R113-A124 WeakPolarHBondContact O-CA 3.27Å; R113-L125 HydrophobicContact CB-CB 3.88Å; R113-L125 HydrophobicContact CB-CD2 4.24Å; R113-L125 PolarHBondContact O-N 2.84Å; R113-W132 HydrophobicContact CG-CH2 4.28Å; R113-W132 HydrophobicContact CG-CZ3 4.23Å; R113-L155 HydrophobicContact CG-CD1 4.2Å |
| 114 | Q | 98.3 | Very high | 97.2 | Very high | 84 Ų | 84 | 60.8 Ų | 60.8 | 39% | 0.393 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 130.5 | -179.2 | -61.1 | 177.5 | 9 | 0 | 0 | 109.1 | I96 M97 A124 | I96-Q114 CarbonylContact C-O 3.56Å; I96-Q114 WeakPolarHBondContact CA-O 3.28Å; M97-Q114 HydrophobicContact CE-CB 4.37Å; M97-Q114 HydrophobicContact CE-CG 4.13Å; M97-Q114 PolarHBondContact N-O 2.97Å; M97-Q114 PolarHBondContact O-N 3.28Å; Q114-A124 HydrophobicContact CG-CB 4.04Å |
| 115 | D | 98.6 | Very high | 97.5 | Very high | 18 Ų | 18 | 55.8 Ų | 55.8 | 10% | 0.096 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 136.4 | -179.3 | -60.8 | 24.9 | 0 | 0 | 0 | 107.8 | Q95 I96 R113 Y122 I123 | Q95-D115 CarbonylContact O-C 3.58Å; Q95-D115 WeakPolarHBondContact O-CA 3.24Å; I96-D115 HydrophobicContact CG1-CB 4.37Å; R113-D115 IonicContact CZ-OD1 3.89Å; R113-D115 IonicContact CZ-OD2 2.71Å; R113-D115 IonicContact NE-OD1 3.73Å; R113-D115 PolarHBondContact NE-OD1 2.6Å; R113-D115 IonicContact NE-OD2 3.87Å; R113-D115 IonicContact NH2-OD1 2.91Å; R113-D115 PolarHBondContact NH2-OD1 3.39Å; R113-D115 IonicContact NH2-OD2 2.69Å; R113-D115 PolarHBondContact NH2-OD2 2.91Å; D115-Y122 WeakPolarHBondContact O-CA 3.44Å; D115-Y122 VanDerWaalsContact O-CB 3.3Å; D115-Y122 WeakPolarHBondContact O-CB 3.45Å; D115-Y122 PolarHBondContact O-N 3.19Å; D115-I123 HydrophobicContact CB-CG2 4.02Å; D115-I123 PolarHBondContact N-O 3.21Å; D115-I123 PolarHBondContact O-N 3.33Å; D115-I123 VanDerWaalsContact O-N 3.11Å |
| 116 | A | 98.8 | Very high | 97.8 | Very high | 17 Ų | 17 | 53.9 Ų | 53.9 | 14% | 0.14 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 148.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | I94 Q95 K120 | I94-A116 WeakPolarHBondContact CA-O 3.44Å; Q95-A116 HydrophobicContact CB-CB 4.3Å; Q95-A116 PolarHBondContact N-O 2.94Å; Q95-A116 PolarHBondContact O-N 2.84Å; A116-K120 CarbonylContact C-O 3.53Å; A116-K120 WeakPolarHBondContact CA-O 3.23Å; A116-K120 VanDerWaalsContact CB-O 3.25Å; A116-K120 WeakPolarHBondContact CB-O 3.39Å |
| 117 | Y | 98.7 | Very high | 97.9 | Very high | 10 Ų | 10 | 59.6 Ų | 59.6 | 4% | 0.039 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 128.5 | 178.5 | -174.3 | -119.9 | 0 | 0 | 0 | 110.4 | L77 L80 Y84 Q86 H92 T93 I94 G119 K120 | L77-Y117 HydrophobicContact CD2-CE2 4.39Å; L80-Y117 HydrophobicContact CB-CD1 4.42Å; L80-Y117 HydrophobicContact CB-CD2 4.17Å; L80-Y117 HydrophobicContact CB-CE1 4.07Å; L80-Y117 HydrophobicContact CB-CE2 3.8Å; L80-Y117 HydrophobicContact CB-CG 4.46Å; L80-Y117 HydrophobicContact CD1-CD2 3.47Å; L80-Y117 VanDerWaalsContact CD1-CD2 3.47Å; L80-Y117 HydrophobicContact CD1-CE2 3.85Å; L80-Y117 HydrophobicContact CD1-CG 3.88Å; L80-Y117 HydrophobicContact CG-CD2 4.44Å; L80-Y117 HydrophobicContact CG-CE2 4.49Å; Y84-Y117 AromaticContact CD2-CD1 3.72Å; Y84-Y117 HydrophobicContact CD2-CD1 3.72Å; Y84-Y117 AromaticContact CD2-CE1 3.5Å; Y84-Y117 HydrophobicContact CD2-CE1 3.5Å; Y84-Y117 AromaticContact CE2-CD1 3.51Å; Y84-Y117 HydrophobicContact CE2-CD1 3.51Å; Y84-Y117 AromaticContact CE2-CE1 3.82Å; Y84-Y117 HydrophobicContact CE2-CE1 3.82Å; Y84-Y117 HydrophobicContact CE2-CG 4.48Å; Y84-Y117 HydrophobicContact CG-CE1 4.38Å; Q86-Y117 PolarHBondContact OE1-OH 2.94Å; H92-Y117 HydrophobicContact CB-CE2 3.83Å; H92-Y117 WeakPolarHBondContact CB-OH 3.47Å; H92-Y117 VanDerWaalsContact CG-OH 3.22Å; H92-Y117 AromaticContact ND1-CZ 3.96Å; H92-Y117 PolarHBondContact ND1-OH 3.25Å; T93-Y117 CarbonylContact O-C 3.58Å; T93-Y117 WeakPolarHBondContact O-CA 3.25Å; T93-Y117 VanDerWaalsContact O-CD2 3.23Å; T93-Y117 WeakPolarHBondContact O-CD2 3.18Å; I94-Y117 HydrophobicContact CG1-CD2 3.87Å; I94-Y117 HydrophobicContact CG1-CE2 4.28Å; Y117-G119 PolarHBondContact O-N 3.35Å; Y117-K120 PolarHBondContact N-O 3.22Å; Y117-K120 PolarHBondContact O-N 2.85Å |
| 118 | D | 98.1 | Very high | 97.9 | Very high | 60 Ų | 60 | 55.4 Ų | 55.4 | 32% | 0.321 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.7 | 39.3 | -175.7 | -67.3 | -19.6 | 0 | 0 | 0 | 113.4 | Q86 H92 T93 K120 | Q86-D118 PolarHBondContact NE2-OD2 3.43Å; H92-D118 WeakPolarHBondContact CA-OD1 3.27Å; H92-D118 WeakPolarHBondContact CB-OD1 3.39Å; H92-D118 IonicContact CE1-OD2 3.36Å; H92-D118 IonicContact CG-OD1 2.69Å; H92-D118 IonicContact CG-OD2 3.65Å; H92-D118 IonicContact ND1-OD1 3.29Å; H92-D118 IonicContact ND1-OD2 2.89Å; H92-D118 PolarHBondContact ND1-OD2 3.2Å; T93-D118 PolarHBondContact N-OD1 2.82Å; T93-D118 PolarHBondContact O-N 3.48Å; D118-K120 VanDerWaalsContact C-N 3.3Å; D118-K120 PolarHBondContact O-N 2.88Å |
| 119 | G | 97.4 | Very high | 97.9 | Very high | 57 Ų | 57 | 53.3 Ų | 53.3 | 59% | 0.588 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.2 | 10.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y117 | Y117-G119 PolarHBondContact O-N 3.35Š|
| 120 | K | 98.4 | Very high | 97.8 | Very high | 160 Ų | 160 | 56.2 Ų | 56.2 | 70% | 0.696 | 28% | 0.281 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 145.2 | 176 | -61.7 | -179.9 | -176.8 | 177.4 | 0 | 110.5 | A116 Y117 D118 Y122 | A116-K120 CarbonylContact C-O 3.53Å; A116-K120 WeakPolarHBondContact CA-O 3.23Å; A116-K120 VanDerWaalsContact CB-O 3.25Å; A116-K120 WeakPolarHBondContact CB-O 3.39Å; Y117-K120 PolarHBondContact N-O 3.22Å; Y117-K120 PolarHBondContact O-N 2.85Å; D118-K120 VanDerWaalsContact C-N 3.3Å; D118-K120 PolarHBondContact O-N 2.88Å; K120-Y122 PolarHBondContact O-N 2.97Å |
| 121 | D | 98.6 | Very high | 97.8 | Very high | 127 Ų | 127 | 53.7 Ų | 53.7 | 68% | 0.679 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -53 | 135.1 | 173.7 | -64.7 | -24.5 | 0 | 0 | 0 | 110.5 | A135 | D121-A135 HydrophobicContact CB-CB 4.27Å; D121-A135 WeakPolarHBondContact O-CB 3.39Å |
| 122 | Y | 98.7 | Very high | 97.9 | Very high | 12 Ų | 12 | 53.6 Ų | 53.6 | 5% | 0.047 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | -62.8 | 178.9 | 179.5 | -108.4 | 0 | 0 | 0 | 110.3 | L80 Y84 D115 K120 A135 A138 A139 T142 | L80-Y122 HydrophobicContact CD2-CD2 4.36Å; L80-Y122 HydrophobicContact CD2-CE1 3.84Å; L80-Y122 HydrophobicContact CD2-CE2 3.59Å; L80-Y122 VanDerWaalsContact CD2-OH 3.28Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.44Å; Y84-Y122 HydrophobicContact CE2-CD2 4.36Å; Y84-Y122 HydrophobicContact CE2-CE2 4.06Å; Y84-Y122 VanDerWaalsContact OH-CD2 3.28Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.37Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.37Å; D115-Y122 WeakPolarHBondContact O-CA 3.44Å; D115-Y122 VanDerWaalsContact O-CB 3.3Å; D115-Y122 WeakPolarHBondContact O-CB 3.45Å; D115-Y122 PolarHBondContact O-N 3.19Å; K120-Y122 PolarHBondContact O-N 2.97Å; Y122-A135 WeakPolarHBondContact O-CB 3.48Å; Y122-A135 PolarHBondContact O-N 2.68Å; Y122-A138 HydrophobicContact CE2-CB 4.46Å; Y122-A138 PolarHBondContact OH-O 2.96Å; Y122-A139 HydrophobicContact CD2-CB 3.78Å; Y122-A139 HydrophobicContact CE1-CB 4.42Å; Y122-A139 VanDerWaalsContact CE2-CA 3.49Å; Y122-A139 HydrophobicContact CE2-CB 3.64Å; Y122-A139 HydrophobicContact CG-CB 4.23Å; Y122-A139 WeakPolarHBondContact O-CB 3.36Å; Y122-T142 HydrophobicContact CE1-CG2 4.18Å; Y122-T142 WeakPolarHBondContact OH-CB 3.16Å; Y122-T142 PolarHBondContact OH-OG1 3.3Å |
| 123 | I | 98.7 | Very high | 98 | Very high | 3 Ų | 3 | 55.5 Ų | 55.5 | 2% | 0.015 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 142.1 | 178.3 | -162.7 | 172.7 | 0 | 0 | 0 | 110.9 | D115 W132 T133 T142 K143 W146 | D115-I123 HydrophobicContact CB-CG2 4.02Å; D115-I123 PolarHBondContact N-O 3.21Å; D115-I123 PolarHBondContact O-N 3.33Å; D115-I123 VanDerWaalsContact O-N 3.11Å; I123-W132 HydrophobicContact CD1-CB 4.2Å; I123-W132 HydrophobicContact CD1-CD2 4.43Å; I123-W132 HydrophobicContact CD1-CE3 4.22Å; I123-W132 HydrophobicContact CD1-CG 4.45Å; I123-W132 HydrophobicContact CG1-CB 4.32Å; I123-W132 HydrophobicContact CG1-CE3 4.08Å; I123-T133 CarbonylContact C-O 3.57Å; I123-T133 WeakPolarHBondContact CA-O 3.15Å; I123-T133 WeakPolarHBondContact CG1-O 3.44Å; I123-T142 HydrophobicContact CD1-CG2 4.09Å; I123-K143 HydrophobicContact CD1-CB 3.89Å; I123-W146 HydrophobicContact CD1-CE3 4.07Å; I123-W146 HydrophobicContact CD1-CZ3 4.35Å; I123-W146 HydrophobicContact CG2-CH2 4.12Å; I123-W146 HydrophobicContact CG2-CZ3 3.8Å |
| 124 | A | 98.7 | Very high | 98.1 | Very high | 27 Ų | 27 | 55 Ų | 55 | 22% | 0.223 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 139.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | R113 Q114 W132 T133 | R113-A124 WeakPolarHBondContact O-CA 3.27Å; Q114-A124 HydrophobicContact CG-CB 4.04Å; A124-W132 WeakPolarHBondContact O-CA 3.33Å; A124-T133 PolarHBondContact N-O 2.91Å; A124-T133 PolarHBondContact O-N 3.25Å |
| 125 | L | 98.6 | Very high | 98.1 | 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 | -74.5 | 128.8 | 169.6 | -175.7 | 65.8 | 0 | 0 | 0 | 108.7 | R113 L129 W132 A152 L159 | R113-L125 HydrophobicContact CB-CB 3.88Å; R113-L125 HydrophobicContact CB-CD2 4.24Å; R113-L125 PolarHBondContact O-N 2.84Å; L125-L129 HydrophobicContact CD2-CB 4.48Å; L125-L129 HydrophobicContact CD2-CD2 3.72Å; L125-L129 HydrophobicContact CG-CD2 4.27Å; L125-W132 HydrophobicContact CB-CE3 4Å; L125-W132 HydrophobicContact CB-CH2 4.12Å; L125-W132 HydrophobicContact CB-CZ3 3.65Å; L125-W132 HydrophobicContact CD1-CD2 4.15Å; L125-W132 HydrophobicContact CD1-CE3 4.24Å; L125-W132 HydrophobicContact CD1-CH2 4.05Å; L125-W132 HydrophobicContact CD1-CZ2 3.94Å; L125-W132 HydrophobicContact CD1-CZ3 4.18Å; L125-W132 HydrophobicContact CG-CZ3 4.49Å; L125-A152 HydrophobicContact CD1-CB 4.09Å; L125-L159 HydrophobicContact CD2-CD1 3.89Å |
| 126 | N | 98.2 | Very high | 98 | Very high | 45 Ų | 45 | 55.8 Ų | 55.8 | 24% | 0.241 | 31% | 0.308 | C | S | . | . | trans | -73 | 162.8 | 179.3 | -67.9 | -29 | 0 | 0 | 0 | 111.4 | D128 L129 S131 T133 | N126-D128 PolarHBondContact O-N 2.9Å; N126-D128 VanDerWaalsContact O-N 3.08Å; N126-L129 PolarHBondContact O-N 2.86Å; N126-S131 WeakPolarHBondContact CB-O 3.44Å; N126-S131 WeakPolarHBondContact CB-OG 3.16Å; N126-S131 PolarHBondContact N-O 2.99Å; N126-S131 PolarHBondContact ND2-O 2.87Å; N126-S131 PolarHBondContact ND2-OG 3.17Å; N126-T133 PolarHBondContact ND2-OG1 3.22Å; N126-T133 PolarHBondContact OD1-OG1 2.83Å | ||
| 127 | E | 96.3 | Very high | 98 | Very high | 136 Ų | 136 | 62 Ų | 62 | 64% | 0.636 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -20.9 | -179 | -63.6 | -175.8 | 175.5 | 0 | 0 | 113.6 | R110 L129 | R110-E127 IonicContact CZ-OE1 2.71Å; R110-E127 IonicContact NH1-OE1 3.02Å; R110-E127 PolarHBondContact NH1-OE1 2.88Å; R110-E127 IonicContact NH2-OE1 2.78Å; R110-E127 PolarHBondContact NH2-OE1 3.43Å; E127-L129 PolarHBondContact O-N 2.79Å |
| 128 | D | 96.4 | Very high | 97.9 | Very high | 78 Ų | 78 | 61.9 Ų | 61.9 | 42% | 0.417 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -10.8 | 174.1 | 69.1 | 5.4 | 0 | 0 | 0 | 113.9 | N126 R130 S131 | N126-D128 PolarHBondContact O-N 2.9Å; N126-D128 VanDerWaalsContact O-N 3.08Å; D128-R130 WeakPolarHBondContact O-CG 3.34Å; D128-R130 PolarHBondContact O-N 2.94Å; D128-R130 PolarHBondContact OD1-N 3.21Å; D128-S131 VanDerWaalsContact CG-OG 3.26Å; D128-S131 PolarHBondContact OD1-N 3.2Å; D128-S131 PolarHBondContact OD1-OG 2.86Å; D128-S131 VanDerWaalsContact OD1-OG 3.13Å; D128-S131 WeakPolarHBondContact OD2-CB 3.36Å; D128-S131 PolarHBondContact OD2-OG 3.14Å |
| 129 | L | 97.3 | Very high | 97.9 | Very high | 10 Ų | 10 | 59 Ų | 59 | 5% | 0.052 | 32% | 0.322 | C | S | . | . | S | Bend | trans | 54.2 | 29.6 | -175 | -50.9 | 176 | 0 | 0 | 0 | 113.6 | F108 L125 N126 E127 R156 L159 | F108-L129 HydrophobicContact CE1-CD1 3.92Å; F108-L129 HydrophobicContact CZ-CD1 3.66Å; L125-L129 HydrophobicContact CD2-CB 4.48Å; L125-L129 HydrophobicContact CD2-CD2 3.72Å; L125-L129 HydrophobicContact CG-CD2 4.27Å; N126-L129 PolarHBondContact O-N 2.86Å; E127-L129 PolarHBondContact O-N 2.79Å; L129-R156 HydrophobicContact CB-CB 4.13Å; L129-R156 HydrophobicContact CB-CG 3.96Å; L129-R156 HydrophobicContact CD1-CG 4.17Å; L129-L159 HydrophobicContact CD2-CD1 4.27Å |
| 130 | R | 96.6 | Very high | 98 | Very high | 167 Ų | 167 | 59.1 Ų | 59.1 | 63% | 0.63 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -134.1 | -30.5 | -176.3 | -69 | 175.3 | -170 | -146.3 | 5.7 | 112.6 | D128 | D128-R130 WeakPolarHBondContact O-CG 3.34Å; D128-R130 PolarHBondContact O-N 2.94Å; D128-R130 PolarHBondContact OD1-N 3.21Å |
| 131 | S | 97.3 | Very high | 98 | Very high | 37 Ų | 37 | 54.5 Ų | 54.5 | 26% | 0.259 | 29% | 0.289 | S | S | . | . | trans | -118.1 | 160.1 | -175.7 | 65.3 | 0 | 0 | 0 | 0 | 112.1 | N126 D128 | N126-S131 WeakPolarHBondContact CB-O 3.44Å; N126-S131 WeakPolarHBondContact CB-OG 3.16Å; N126-S131 PolarHBondContact N-O 2.99Å; N126-S131 PolarHBondContact ND2-O 2.87Å; N126-S131 PolarHBondContact ND2-OG 3.17Å; D128-S131 VanDerWaalsContact CG-OG 3.26Å; D128-S131 PolarHBondContact OD1-N 3.2Å; D128-S131 PolarHBondContact OD1-OG 2.86Å; D128-S131 VanDerWaalsContact OD1-OG 3.13Å; D128-S131 WeakPolarHBondContact OD2-CB 3.36Å; D128-S131 PolarHBondContact OD2-OG 3.14Å | ||
| 132 | W | 98.6 | Very high | 98 | Very high | 2 Ų | 2 | 49.3 Ų | 49.3 | 1% | 0.008 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 140.8 | -176.2 | -61.2 | 94.6 | 0 | 0 | 0 | 111.8 | R113 I123 A124 L125 K143 W146 E151 A152 L155 | R113-W132 HydrophobicContact CG-CH2 4.28Å; R113-W132 HydrophobicContact CG-CZ3 4.23Å; I123-W132 HydrophobicContact CD1-CB 4.2Å; I123-W132 HydrophobicContact CD1-CD2 4.43Å; I123-W132 HydrophobicContact CD1-CE3 4.22Å; I123-W132 HydrophobicContact CD1-CG 4.45Å; I123-W132 HydrophobicContact CG1-CB 4.32Å; I123-W132 HydrophobicContact CG1-CE3 4.08Å; A124-W132 WeakPolarHBondContact O-CA 3.33Å; L125-W132 HydrophobicContact CB-CE3 4Å; L125-W132 HydrophobicContact CB-CH2 4.12Å; L125-W132 HydrophobicContact CB-CZ3 3.65Å; L125-W132 HydrophobicContact CD1-CD2 4.15Å; L125-W132 HydrophobicContact CD1-CE3 4.24Å; L125-W132 HydrophobicContact CD1-CH2 4.05Å; L125-W132 HydrophobicContact CD1-CZ2 3.94Å; L125-W132 HydrophobicContact CD1-CZ3 4.18Å; L125-W132 HydrophobicContact CG-CZ3 4.49Å; W132-K143 HydrophobicContact CB-CD 4.24Å; W132-K143 HydrophobicContact CB-CG 4.1Å; W132-K143 VanDerWaalsContact O-CE 3.3Å; W132-K143 WeakPolarHBondContact O-CE 3.48Å; W132-K143 PolarHBondContact O-NZ 3.31Å; W132-W146 AromaticContact CD2-CE3 3.96Å; W132-W146 HydrophobicContact CD2-CE3 3.96Å; W132-W146 HydrophobicContact CD2-CZ3 4.5Å; W132-W146 AromaticContact CE2-CE3 3.79Å; W132-W146 AromaticContact CE3-CE3 3.85Å; W132-W146 HydrophobicContact CE3-CE3 3.85Å; W132-W146 AromaticContact CE3-CZ3 3.93Å; W132-W146 HydrophobicContact CE3-CZ3 3.93Å; W132-W146 AromaticContact CH2-CE3 3.38Å; W132-W146 HydrophobicContact CH2-CE3 3.38Å; W132-W146 HydrophobicContact CH2-CH2 4.48Å; W132-W146 AromaticContact CH2-CZ3 3.34Å; W132-W146 HydrophobicContact CH2-CZ3 3.34Å; W132-W146 HydrophobicContact CZ2-CD2 4.44Å; W132-W146 AromaticContact CZ2-CE3 3.5Å; W132-W146 HydrophobicContact CZ2-CE3 3.5Å; W132-W146 AromaticContact CZ2-CZ3 3.99Å; W132-W146 HydrophobicContact CZ2-CZ3 3.99Å; W132-W146 AromaticContact CZ3-CE3 3.59Å; W132-W146 HydrophobicContact CZ3-CE3 3.59Å; W132-W146 AromaticContact CZ3-CZ3 3.33Å; W132-W146 HydrophobicContact CZ3-CZ3 3.33Å; W132-E151 HydrophobicContact CZ2-CB 4.34Å; W132-A152 HydrophobicContact CZ2-CB 4.28Å; W132-L155 HydrophobicContact CH2-CD1 3.4Å; W132-L155 HydrophobicContact CZ2-CD1 3.77Å |
| 133 | T | 98.6 | Very high | 98 | Very high | 76 Ų | 76 | 50.9 Ų | 50.9 | 47% | 0.466 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 121.2 | 167.6 | -66 | 0 | 0 | 0 | 0 | 109.1 | I123 A124 N126 | I123-T133 CarbonylContact C-O 3.57Å; I123-T133 WeakPolarHBondContact CA-O 3.15Å; I123-T133 WeakPolarHBondContact CG1-O 3.44Å; A124-T133 PolarHBondContact N-O 2.91Å; A124-T133 PolarHBondContact O-N 3.25Å; N126-T133 PolarHBondContact ND2-OG1 3.22Å; N126-T133 PolarHBondContact OD1-OG1 2.83Å |
| 134 | A | 98.6 | Very high | 98 | Very high | 16 Ų | 16 | 58.1 Ų | 58.1 | 13% | 0.132 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 132.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | A139 Q140 K143 | A134-A139 HydrophobicContact CB-CB 3.69Å; A134-Q140 HydrophobicContact CB-CG 4.26Å; A134-K143 HydrophobicContact CB-CB 4.28Å; A134-K143 HydrophobicContact CB-CD 4.21Å |
| 135 | A | 98.4 | Very high | 97.9 | Very high | 60 Ų | 60 | 62.5 Ų | 62.5 | 50% | 0.496 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -75.8 | -30.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | D121 Y122 | D121-A135 HydrophobicContact CB-CB 4.27Å; D121-A135 WeakPolarHBondContact O-CB 3.39Å; Y122-A135 WeakPolarHBondContact O-CB 3.48Å; Y122-A135 PolarHBondContact O-N 2.68Å |
| 136 | D | 98 | Very high | 97.9 | Very high | 58 Ų | 58 | 64.5 Ų | 64.5 | 31% | 0.31 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -149.3 | -176.1 | -178.7 | 68.4 | 30 | 0 | 0 | 0 | 113.2 | Y84 A138 A139 Q140 | Y84-D136 VanDerWaalsContact CE1-OD2 3.22Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.37Å; Y84-D136 VanDerWaalsContact OH-CG 3.23Å; Y84-D136 PolarHBondContact OH-OD1 2.72Å; Y84-D136 VanDerWaalsContact OH-OD1 3.14Å; Y84-D136 PolarHBondContact OH-OD2 2.65Å; D136-A138 VanDerWaalsContact C-N 3.32Å; D136-A138 PolarHBondContact O-N 2.82Å; D136-A138 WeakPolarHBondContact OD1-CA 3.5Å; D136-A138 WeakPolarHBondContact OD1-CB 3.28Å; D136-A138 PolarHBondContact OD1-N 3.24Å; D136-A139 PolarHBondContact O-N 3.34Å; D136-A139 PolarHBondContact OD1-N 3.43Å; D136-Q140 WeakPolarHBondContact O-CG 3.3Å; D136-Q140 PolarHBondContact O-N 2.99Å |
| 137 | M | 97.6 | Very high | 97.9 | Very high | 146 Ų | 146 | 66.4 Ų | 66.4 | 72% | 0.719 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -65.6 | -28.7 | -178.5 | -68.9 | -59.2 | -63.4 | 0 | 0 | 114.2 | ||
| 138 | A | 97.6 | Very high | 98 | Very high | 8 Ų | 8 | 63.8 Ų | 63.8 | 7% | 0.066 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -72.8 | -43.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y84 Y122 D136 Q140 I141 | Y84-A138 HydrophobicContact CD1-CB 4.16Å; Y84-A138 HydrophobicContact CD2-CB 4.42Å; Y84-A138 HydrophobicContact CE1-CB 3.6Å; Y84-A138 HydrophobicContact CE2-CB 3.89Å; Y84-A138 VanDerWaalsContact CZ-CB 3.45Å; Y122-A138 HydrophobicContact CE2-CB 4.46Å; Y122-A138 PolarHBondContact OH-O 2.96Å; D136-A138 VanDerWaalsContact C-N 3.32Å; D136-A138 PolarHBondContact O-N 2.82Å; D136-A138 WeakPolarHBondContact OD1-CA 3.5Å; D136-A138 WeakPolarHBondContact OD1-CB 3.28Å; D136-A138 PolarHBondContact OD1-N 3.24Å; A138-Q140 PolarHBondContact O-N 2.87Å; A138-I141 VanDerWaalsContact O-CB 3.24Å; A138-I141 WeakPolarHBondContact O-CB 3.24Å; A138-I141 PolarHBondContact O-N 3.42Å |
| 139 | A | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.5 | -31 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y122 A134 D136 I141 T142 K143 | Y122-A139 HydrophobicContact CD2-CB 3.78Å; Y122-A139 HydrophobicContact CE1-CB 4.42Å; Y122-A139 VanDerWaalsContact CE2-CA 3.49Å; Y122-A139 HydrophobicContact CE2-CB 3.64Å; Y122-A139 HydrophobicContact CG-CB 4.23Å; Y122-A139 WeakPolarHBondContact O-CB 3.36Å; A134-A139 HydrophobicContact CB-CB 3.69Å; D136-A139 PolarHBondContact O-N 3.34Å; D136-A139 PolarHBondContact OD1-N 3.43Å; A139-I141 PolarHBondContact O-N 2.88Å; A139-T142 PolarHBondContact O-N 3.27Å; A139-T142 VanDerWaalsContact O-N 3.14Å; A139-K143 PolarHBondContact O-N 3.14Å |
| 140 | Q | 98.5 | Very high | 98 | Very high | 59 Ų | 59 | 67 Ų | 67 | 28% | 0.276 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -59.4 | -29.3 | 172.5 | -68.5 | -69.5 | -19.5 | 0 | 0 | 112.7 | A134 D136 A138 R144 | A134-Q140 HydrophobicContact CB-CG 4.26Å; D136-Q140 WeakPolarHBondContact O-CG 3.3Å; D136-Q140 PolarHBondContact O-N 2.99Å; A138-Q140 PolarHBondContact O-N 2.87Å; Q140-R144 WeakPolarHBondContact O-CG 3.36Å; Q140-R144 PolarHBondContact O-N 3.11Å; Q140-R144 VanDerWaalsContact O-N 3.15Å |
| 141 | I | 98.2 | Very high | 98 | Very high | 64 Ų | 64 | 62 Ų | 62 | 33% | 0.328 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -67.4 | -47 | 175.6 | -55.3 | 172.2 | 0 | 0 | 0 | 109.7 | Y83 A138 A139 K145 | Y83-I141 HydrophobicContact CD1-CD1 4.26Å; Y83-I141 HydrophobicContact CD2-CD1 4.4Å; Y83-I141 HydrophobicContact CE1-CD1 4.42Å; Y83-I141 HydrophobicContact CE1-CG2 4.2Å; Y83-I141 HydrophobicContact CE2-CB 4.07Å; Y83-I141 HydrophobicContact CE2-CG2 4Å; Y83-I141 HydrophobicContact CG-CD1 4.25Å; A138-I141 VanDerWaalsContact O-CB 3.24Å; A138-I141 WeakPolarHBondContact O-CB 3.24Å; A138-I141 PolarHBondContact O-N 3.42Å; A139-I141 PolarHBondContact O-N 2.88Å; I141-K145 WeakPolarHBondContact O-CG 3Å; I141-K145 PolarHBondContact O-N 2.85Å |
| 142 | T | 98.2 | Very high | 98 | Very high | 18 Ų | 18 | 60.6 Ų | 60.6 | 11% | 0.11 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.6 | -45.7 | 175.4 | -68.7 | 0 | 0 | 0 | 0 | 111.2 | Y122 I123 A139 R144 K145 W146 | Y122-T142 HydrophobicContact CE1-CG2 4.18Å; Y122-T142 WeakPolarHBondContact OH-CB 3.16Å; Y122-T142 PolarHBondContact OH-OG1 3.3Å; I123-T142 HydrophobicContact CD1-CG2 4.09Å; A139-T142 PolarHBondContact O-N 3.27Å; A139-T142 VanDerWaalsContact O-N 3.14Å; T142-R144 VanDerWaalsContact C-N 3.35Å; T142-R144 PolarHBondContact O-N 2.87Å; T142-K145 WeakPolarHBondContact O-CB 3.42Å; T142-K145 PolarHBondContact O-N 2.78Å; T142-W146 HydrophobicContact CG2-CD2 3.76Å; T142-W146 HydrophobicContact CG2-CE3 4.27Å; T142-W146 HydrophobicContact CG2-CG 4.08Å; T142-W146 HydrophobicContact CG2-CZ2 4.01Å; T142-W146 PolarHBondContact O-N 2.74Å |
| 143 | K | 98.6 | Very high | 97.9 | Very high | 44 Ų | 44 | 66.5 Ų | 66.5 | 19% | 0.191 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -51 | -52 | 177.4 | 174.6 | 170.9 | 176.5 | 170.7 | 0 | 112 | I123 W132 A134 A139 K145 W146 E147 | I123-K143 HydrophobicContact CD1-CB 3.89Å; W132-K143 HydrophobicContact CB-CD 4.24Å; W132-K143 HydrophobicContact CB-CG 4.1Å; W132-K143 VanDerWaalsContact O-CE 3.3Å; W132-K143 WeakPolarHBondContact O-CE 3.48Å; W132-K143 PolarHBondContact O-NZ 3.31Å; A134-K143 HydrophobicContact CB-CB 4.28Å; A134-K143 HydrophobicContact CB-CD 4.21Å; A139-K143 PolarHBondContact O-N 3.14Å; K143-K145 VanDerWaalsContact C-N 3.31Å; K143-K145 PolarHBondContact O-N 2.95Å; K143-W146 PolarHBondContact O-N 3.03Å; K143-E147 WeakPolarHBondContact CE-OE1 3.48Å; K143-E147 HydrophobicContact CG-CG 4.35Å; K143-E147 IonicContact NZ-OE1 3.12Å; K143-E147 WeakPolarHBondContact O-CB 3.48Å; K143-E147 WeakPolarHBondContact O-CG 3.23Å; K143-E147 PolarHBondContact O-N 2.7Å |
| 144 | R | 98.6 | Very high | 97.7 | Very high | 156 Ų | 156 | 69.2 Ų | 69.2 | 59% | 0.589 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -61 | -38.7 | 179.4 | -68.7 | 170.2 | -168.3 | 161 | 4.3 | 112.7 | Q140 T142 A148 | Q140-R144 WeakPolarHBondContact O-CG 3.36Å; Q140-R144 PolarHBondContact O-N 3.11Å; Q140-R144 VanDerWaalsContact O-N 3.15Å; T142-R144 VanDerWaalsContact C-N 3.35Å; T142-R144 PolarHBondContact O-N 2.87Å; R144-A148 WeakPolarHBondContact O-CB 3.28Å; R144-A148 PolarHBondContact O-N 2.81Å |
| 145 | K | 97.9 | Very high | 97.6 | Very high | 119 Ų | 119 | 70.1 Ų | 70.1 | 52% | 0.517 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.3 | -46.3 | 177 | -73 | 179 | 173.4 | -176 | 0 | 111.3 | Y83 I141 T142 K143 A148 A149 | Y83-K145 PolarHBondContact OH-NZ 3.17Å; I141-K145 WeakPolarHBondContact O-CG 3Å; I141-K145 PolarHBondContact O-N 2.85Å; T142-K145 WeakPolarHBondContact O-CB 3.42Å; T142-K145 PolarHBondContact O-N 2.78Å; K143-K145 VanDerWaalsContact C-N 3.31Å; K143-K145 PolarHBondContact O-N 2.95Å; K145-A148 PolarHBondContact O-N 2.53Å; K145-A149 WeakPolarHBondContact O-CB 3.42Å; K145-A149 PolarHBondContact O-N 3.13Å |
| 146 | W | 98 | Very high | 97.6 | Very high | 55 Ų | 55 | 71.5 Ų | 71.5 | 21% | 0.208 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -68.8 | -37.2 | -179.3 | -74.6 | 5.7 | 0 | 0 | 0 | 112.8 | I123 W132 T142 K143 A149 H150 E151 | I123-W146 HydrophobicContact CD1-CE3 4.07Å; I123-W146 HydrophobicContact CD1-CZ3 4.35Å; I123-W146 HydrophobicContact CG2-CH2 4.12Å; I123-W146 HydrophobicContact CG2-CZ3 3.8Å; W132-W146 AromaticContact CD2-CE3 3.96Å; W132-W146 HydrophobicContact CD2-CE3 3.96Å; W132-W146 HydrophobicContact CD2-CZ3 4.5Å; W132-W146 AromaticContact CE2-CE3 3.79Å; W132-W146 AromaticContact CE3-CE3 3.85Å; W132-W146 HydrophobicContact CE3-CE3 3.85Å; W132-W146 AromaticContact CE3-CZ3 3.93Å; W132-W146 HydrophobicContact CE3-CZ3 3.93Å; W132-W146 AromaticContact CH2-CE3 3.38Å; W132-W146 HydrophobicContact CH2-CE3 3.38Å; W132-W146 HydrophobicContact CH2-CH2 4.48Å; W132-W146 AromaticContact CH2-CZ3 3.34Å; W132-W146 HydrophobicContact CH2-CZ3 3.34Å; W132-W146 HydrophobicContact CZ2-CD2 4.44Å; W132-W146 AromaticContact CZ2-CE3 3.5Å; W132-W146 HydrophobicContact CZ2-CE3 3.5Å; W132-W146 AromaticContact CZ2-CZ3 3.99Å; W132-W146 HydrophobicContact CZ2-CZ3 3.99Å; W132-W146 AromaticContact CZ3-CE3 3.59Å; W132-W146 HydrophobicContact CZ3-CE3 3.59Å; W132-W146 AromaticContact CZ3-CZ3 3.33Å; W132-W146 HydrophobicContact CZ3-CZ3 3.33Å; T142-W146 HydrophobicContact CG2-CD2 3.76Å; T142-W146 HydrophobicContact CG2-CE3 4.27Å; T142-W146 HydrophobicContact CG2-CG 4.08Å; T142-W146 HydrophobicContact CG2-CZ2 4.01Å; T142-W146 PolarHBondContact O-N 2.74Å; K143-W146 PolarHBondContact O-N 3.03Å; W146-A149 CarbonylContact O-C 3.54Å; W146-A149 PolarHBondContact O-N 3.13Å; W146-H150 PolarHBondContact O-N 2.81Å; W146-E151 HydrophobicContact CB-CB 3.99Å; W146-E151 HydrophobicContact CB-CG 3.86Å; W146-E151 HydrophobicContact CG-CB 4.22Å; W146-E151 HydrophobicContact CG-CG 3.85Å; W146-E151 PolarHBondContact O-N 3.03Å |
| 147 | E | 98.2 | Very high | 97.6 | Very high | 85 Ų | 85 | 72 Ų | 72 | 40% | 0.397 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64.3 | -45.2 | 172.7 | -73.5 | 173.8 | 160.5 | 0 | 0 | 111.4 | K143 A149 H150 | K143-E147 WeakPolarHBondContact CE-OE1 3.48Å; K143-E147 HydrophobicContact CG-CG 4.35Å; K143-E147 IonicContact NZ-OE1 3.12Å; K143-E147 WeakPolarHBondContact O-CB 3.48Å; K143-E147 WeakPolarHBondContact O-CG 3.23Å; K143-E147 PolarHBondContact O-N 2.7Å; E147-A149 PolarHBondContact O-N 3.1Å; E147-H150 PolarHBondContact O-N 3.35Å |
| 148 | A | 98.1 | Very high | 97.5 | Very high | 81 Ų | 81 | 68 Ų | 68 | 67% | 0.669 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -65.2 | -28.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | R144 K145 | R144-A148 WeakPolarHBondContact O-CB 3.28Å; R144-A148 PolarHBondContact O-N 2.81Å; K145-A148 PolarHBondContact O-N 2.53Å |
| 149 | A | 97.6 | Very high | 97.6 | Very high | 48 Ų | 48 | 67.7 Ų | 67.7 | 40% | 0.397 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 0.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | K145 W146 E147 E151 | K145-A149 WeakPolarHBondContact O-CB 3.42Å; K145-A149 PolarHBondContact O-N 3.13Å; W146-A149 CarbonylContact O-C 3.54Å; W146-A149 PolarHBondContact O-N 3.13Å; E147-A149 PolarHBondContact O-N 3.1Å; A149-E151 HydrophobicContact CB-CG 4.03Å; A149-E151 PolarHBondContact O-N 2.83Å |
| 150 | H | 96.9 | Very high | 97.5 | Very high | 108 Ų | 108 | 71 Ų | 71 | 50% | 0.5 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | 33.5 | -177.9 | -62.1 | -93.5 | 0 | 0 | 0 | 114 | W146 E147 A152 E153 | W146-H150 PolarHBondContact O-N 2.81Å; E147-H150 PolarHBondContact O-N 3.35Å; H150-A152 PolarHBondContact O-N 2.85Å; H150-E153 HydrophobicContact CB-CG 4.4Å; H150-E153 IonicContact CE1-OE1 3.14Å; H150-E153 IonicContact CG-OE1 3.26Å; H150-E153 IonicContact ND1-OE1 3.54Å; H150-E153 PolarHBondContact ND1-OE1 2.79Å; H150-E153 WeakPolarHBondContact O-CB 3.31Å; H150-E153 PolarHBondContact O-N 2.76Å |
| 151 | E | 96.8 | Very high | 97.4 | Very high | 63 Ų | 63 | 69.4 Ų | 69.4 | 29% | 0.294 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59.1 | -33.3 | -176.1 | -68.2 | -71.5 | 178 | 0 | 0 | 113 | W132 W146 A149 E153 Q154 L155 | W132-E151 HydrophobicContact CZ2-CB 4.34Å; W146-E151 HydrophobicContact CB-CB 3.99Å; W146-E151 HydrophobicContact CB-CG 3.86Å; W146-E151 HydrophobicContact CG-CB 4.22Å; W146-E151 HydrophobicContact CG-CG 3.85Å; W146-E151 PolarHBondContact O-N 3.03Å; A149-E151 HydrophobicContact CB-CG 4.03Å; A149-E151 PolarHBondContact O-N 2.83Å; E151-E153 VanDerWaalsContact C-N 3.25Å; E151-E153 PolarHBondContact O-N 3.3Å; E151-Q154 PolarHBondContact O-N 3.38Å; E151-L155 PolarHBondContact O-N 2.95Å |
| 152 | A | 97.6 | Very high | 97.4 | Very high | 7 Ų | 7 | 69.1 Ų | 69.1 | 6% | 0.058 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.1 | -33.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | L125 W132 H150 R156 | L125-A152 HydrophobicContact CD1-CB 4.09Å; W132-A152 HydrophobicContact CZ2-CB 4.28Å; H150-A152 PolarHBondContact O-N 2.85Å; A152-R156 WeakPolarHBondContact O-CB 3.3Å; A152-R156 PolarHBondContact O-N 3.01Å |
| 153 | E | 96.5 | Very high | 97.4 | Very high | 126 Ų | 126 | 68.3 Ų | 68.3 | 59% | 0.589 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -69 | -42 | 179.7 | -63.8 | 176.7 | -156.6 | 0 | 0 | 111.3 | H150 E151 R156 A157 | H150-E153 HydrophobicContact CB-CG 4.4Å; H150-E153 IonicContact CE1-OE1 3.14Å; H150-E153 IonicContact CG-OE1 3.26Å; H150-E153 IonicContact ND1-OE1 3.54Å; H150-E153 PolarHBondContact ND1-OE1 2.79Å; H150-E153 WeakPolarHBondContact O-CB 3.31Å; H150-E153 PolarHBondContact O-N 2.76Å; E151-E153 VanDerWaalsContact C-N 3.25Å; E151-E153 PolarHBondContact O-N 3.3Å; E153-R156 PolarHBondContact O-N 2.84Å; E153-A157 PolarHBondContact O-N 2.86Å |
| 154 | Q | 94.4 | Very high | 97.4 | Very high | 133 Ų | 133 | 66.5 Ų | 66.5 | 62% | 0.621 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -65.9 | -46 | 176.4 | -61.4 | -173.5 | 17.4 | 0 | 0 | 111.3 | E151 R156 A157 Y158 | E151-Q154 PolarHBondContact O-N 3.38Å; Q154-R156 VanDerWaalsContact C-N 3.34Å; Q154-R156 PolarHBondContact O-N 2.84Å; Q154-A157 PolarHBondContact O-N 2.93Å; Q154-Y158 PolarHBondContact O-N 3.21Å; Q154-Y158 VanDerWaalsContact O-N 3.13Å |
| 155 | L | 96.6 | Very high | 97.3 | Very high | 34 Ų | 34 | 65.1 Ų | 65.1 | 18% | 0.178 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.3 | -42.3 | 176.7 | -78 | 169.7 | 0 | 0 | 0 | 111.7 | R113 W132 E151 A157 Y158 L159 | R113-L155 HydrophobicContact CG-CD1 4.2Å; W132-L155 HydrophobicContact CH2-CD1 3.4Å; W132-L155 HydrophobicContact CZ2-CD1 3.77Å; E151-L155 PolarHBondContact O-N 2.95Å; L155-A157 VanDerWaalsContact C-N 3.34Å; L155-A157 PolarHBondContact O-N 2.95Å; L155-Y158 PolarHBondContact O-N 2.85Å; L155-L159 WeakPolarHBondContact O-CB 3.46Å; L155-L159 WeakPolarHBondContact O-CG 3.34Å; L155-L159 PolarHBondContact O-N 2.85Å |
| 156 | R | 97.4 | Very high | 97.3 | Very high | 90 Ų | 90 | 62.9 Ų | 62.9 | 34% | 0.34 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.3 | -44.3 | 176.2 | -178.3 | 177.2 | 174.3 | -152.7 | -7 | 111.8 | L129 A152 E153 Q154 Y158 L159 D160 | L129-R156 HydrophobicContact CB-CB 4.13Å; L129-R156 HydrophobicContact CB-CG 3.96Å; L129-R156 HydrophobicContact CD1-CG 4.17Å; A152-R156 WeakPolarHBondContact O-CB 3.3Å; A152-R156 PolarHBondContact O-N 3.01Å; E153-R156 PolarHBondContact O-N 2.84Å; Q154-R156 VanDerWaalsContact C-N 3.34Å; Q154-R156 PolarHBondContact O-N 2.84Å; R156-Y158 VanDerWaalsContact C-N 3.28Å; R156-Y158 PolarHBondContact O-N 2.85Å; R156-L159 PolarHBondContact O-N 2.96Å; R156-D160 WeakPolarHBondContact O-CB 3.42Å; R156-D160 PolarHBondContact O-N 2.82Å |
| 157 | A | 97.3 | Very high | 97.3 | Very high | 69 Ų | 69 | 60.2 Ų | 60.2 | 57% | 0.57 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -60 | -39 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | E153 Q154 L155 G161 | E153-A157 PolarHBondContact O-N 2.86Å; Q154-A157 PolarHBondContact O-N 2.93Å; L155-A157 VanDerWaalsContact C-N 3.34Å; L155-A157 PolarHBondContact O-N 2.95Å; A157-G161 WeakPolarHBondContact O-CA 3.42Å; A157-G161 PolarHBondContact O-N 2.88Å |
| 158 | Y | 97.2 | Very high | 97.3 | Very high | 62 Ų | 62 | 61.9 Ų | 61.9 | 24% | 0.243 | 32% | 0.324 | C | S | . | . | I | π-helix | trans | -68.4 | -49.2 | 173.2 | 172.4 | -96 | 0 | 0 | 0 | 112.5 | Y98 Q154 L155 R156 G161 T162 C163 | Y98-Y158 AromaticContact CD2-CE1 3.94Å; Y98-Y158 HydrophobicContact CD2-CE1 3.94Å; Y98-Y158 AromaticContact CE2-CE1 3.67Å; Y98-Y158 HydrophobicContact CE2-CE1 3.67Å; Q154-Y158 PolarHBondContact O-N 3.21Å; Q154-Y158 VanDerWaalsContact O-N 3.13Å; L155-Y158 PolarHBondContact O-N 2.85Å; R156-Y158 VanDerWaalsContact C-N 3.28Å; R156-Y158 PolarHBondContact O-N 2.85Å; Y158-G161 CarbonylContact O-C 3.58Å; Y158-G161 PolarHBondContact O-N 2.92Å; Y158-T162 HydrophobicContact CD2-CG2 4.1Å; Y158-T162 HydrophobicContact CE2-CG2 4.05Å; Y158-T162 PolarHBondContact O-N 3.47Å; Y158-T162 VanDerWaalsContact O-N 3.14Å; Y158-C163 HydrophobicContact CD1-CB 4.29Å; Y158-C163 HydrophobicContact CE1-CB 3.89Å; Y158-C163 WeakPolarHBondContact O-CB 3.36Å; Y158-C163 PolarHBondContact O-N 2.81Å |
| 159 | L | 98 | Very high | 97.3 | Very high | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | I | π-helix | trans | -68.1 | -40.6 | -171.8 | -71.3 | 173.5 | 0 | 0 | 0 | 113.3 | G99 C100 F108 L125 L129 L155 R156 | G99-L159 VanDerWaalsContact O-CD2 3.25Å; G99-L159 WeakPolarHBondContact O-CD2 3.3Å; C100-L159 WeakPolarHBondContact CB-O 3.46Å; F108-L159 WeakPolarHBondContact CE2-O 3.34Å; L125-L159 HydrophobicContact CD2-CD1 3.89Å; L129-L159 HydrophobicContact CD2-CD1 4.27Å; L155-L159 WeakPolarHBondContact O-CB 3.46Å; L155-L159 WeakPolarHBondContact O-CG 3.34Å; L155-L159 PolarHBondContact O-N 2.85Å; R156-L159 PolarHBondContact O-N 2.96Å |
| 160 | D | 96.5 | Very high | 97.3 | Very high | 70 Ų | 70 | 61.8 Ų | 61.8 | 37% | 0.374 | 30% | 0.296 | S | S | . | . | I | π-helix | trans | -87.5 | -17.8 | 179.8 | -169.1 | 7.6 | 0 | 0 | 0 | 112.2 | F108 R156 | F108-D160 WeakPolarHBondContact CB-OD1 3.35Å; F108-D160 HydrophobicContact CD1-CB 4.42Å; F108-D160 WeakPolarHBondContact CD1-OD1 3.25Å; F108-D160 HydrophobicContact CE1-CB 4.4Å; F108-D160 HydrophobicContact CE2-CB 4.48Å; F108-D160 HydrophobicContact CG-CB 4.47Å; F108-D160 WeakPolarHBondContact CG-OD1 3.38Å; F108-D160 HydrophobicContact CZ-CB 4.41Å; R156-D160 WeakPolarHBondContact O-CB 3.42Å; R156-D160 PolarHBondContact O-N 2.82Å |
| 161 | G | 97.3 | Very high | 97.3 | Very high | 25 Ų | 25 | 57.3 Ų | 57.3 | 26% | 0.258 | 28% | 0.276 | S | S | . | . | I | π-helix | trans | -108.6 | -93.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A157 Y158 C163 V164 E165 | A157-G161 WeakPolarHBondContact O-CA 3.42Å; A157-G161 PolarHBondContact O-N 2.88Å; Y158-G161 CarbonylContact O-C 3.58Å; Y158-G161 PolarHBondContact O-N 2.92Å; G161-C163 VanDerWaalsContact C-N 3.3Å; G161-C163 PolarHBondContact O-N 3.46Å; G161-V164 WeakPolarHBondContact O-CB 3.18Å; G161-V164 PolarHBondContact O-N 3.14Å; G161-E165 PolarHBondContact O-N 3.21Å |
| 162 | T | 97.3 | Very high | 97.3 | Very high | 58 Ų | 58 | 60.1 Ų | 60.1 | 36% | 0.356 | 29% | 0.289 | S | S | . | . | I | π-helix | trans | -55.5 | -39.5 | -170.5 | -55.2 | 0 | 0 | 0 | 0 | 113.7 | Y158 V164 E165 W166 | Y158-T162 HydrophobicContact CD2-CG2 4.1Å; Y158-T162 HydrophobicContact CE2-CG2 4.05Å; Y158-T162 PolarHBondContact O-N 3.47Å; Y158-T162 VanDerWaalsContact O-N 3.14Å; T162-V164 PolarHBondContact O-N 3.14Å; T162-E165 PolarHBondContact O-N 3.14Å; T162-W166 PolarHBondContact O-N 3.5Å |
| 163 | C | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61 | -44.7 | 177.2 | -176.6 | 0 | 0 | 0 | 0 | 111.6 | M4 C100 Y158 G161 W166 L167 | M4-C163 HydrophobicContact CE-CB 4.15Å; M4-C163 VanDerWaalsContact CE-O 3.28Å; M4-C163 WeakPolarHBondContact CE-O 3.28Å; M4-C163 WeakPolarHBondContact CE-SG 3.48Å; C100-C163 HydrophobicContact CB-CB 3.89Å; C100-C163 WeakPolarHBondContact CB-SG 3.29Å; C100-C163 PolarHBondContact N-SG 2.94Å; C100-C163 VanDerWaalsContact N-SG 3.41Å; C100-C163 WeakPolarHBondContact SG-CB 3.35Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 3.41Å; Y158-C163 HydrophobicContact CD1-CB 4.29Å; Y158-C163 HydrophobicContact CE1-CB 3.89Å; Y158-C163 WeakPolarHBondContact O-CB 3.36Å; Y158-C163 PolarHBondContact O-N 2.81Å; G161-C163 VanDerWaalsContact C-N 3.3Å; G161-C163 PolarHBondContact O-N 3.46Å; C163-W166 PolarHBondContact O-N 2.8Å; C163-L167 WeakPolarHBondContact O-CB 3.47Å; C163-L167 PolarHBondContact O-N 2.89Å |
| 164 | V | 98.4 | Very high | 97.2 | Very high | 6 Ų | 6 | 56.3 Ų | 56.3 | 4% | 0.036 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66 | -41.3 | 178.7 | 174 | 0 | 0 | 0 | 0 | 111 | C100 V102 F108 G161 T162 L167 R168 | C100-V164 HydrophobicContact CB-CG2 4.49Å; V102-V164 HydrophobicContact CG1-CB 4.37Å; V102-V164 HydrophobicContact CG1-CG1 3.85Å; V102-V164 HydrophobicContact CG1-CG2 4.06Å; F108-V164 HydrophobicContact CB-CG2 4.04Å; F108-V164 HydrophobicContact CD2-CG2 3.62Å; F108-V164 HydrophobicContact CG-CG2 4.29Å; G161-V164 WeakPolarHBondContact O-CB 3.18Å; G161-V164 PolarHBondContact O-N 3.14Å; T162-V164 PolarHBondContact O-N 3.14Å; V164-L167 PolarHBondContact O-N 2.89Å; V164-R168 WeakPolarHBondContact O-CG 3.41Å; V164-R168 PolarHBondContact O-N 2.88Å |
| 165 | E | 98 | Very high | 97.2 | Very high | 128 Ų | 128 | 55 Ų | 55 | 60% | 0.598 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -61 | -47.6 | 176.8 | -69.3 | 176.7 | 169.3 | 0 | 0 | 111.7 | G161 T162 R168 R169 | G161-E165 PolarHBondContact O-N 3.21Å; T162-E165 PolarHBondContact O-N 3.14Å; E165-R168 PolarHBondContact O-N 2.82Å; E165-R169 PolarHBondContact O-N 3.23Å; E165-R169 VanDerWaalsContact O-N 3.08Å |
| 166 | W | 97.8 | Very high | 97.1 | Very high | 71 Ų | 71 | 62 Ų | 62 | 27% | 0.269 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.1 | -45 | 176.3 | -81.3 | 115.7 | 0 | 0 | 0 | 112.4 | M4 Y58 T162 C163 R168 R169 Y170 | M4-W166 HydrophobicContact CE-CB 3.99Å; M4-W166 HydrophobicContact SD-CB 4.4Å; Y58-W166 AromaticContact CD2-CH2 3.52Å; Y58-W166 HydrophobicContact CD2-CH2 3.52Å; Y58-W166 HydrophobicContact CD2-CZ2 4.1Å; Y58-W166 AromaticContact CD2-CZ3 3.95Å; Y58-W166 HydrophobicContact CD2-CZ3 3.95Å; Y58-W166 HydrophobicContact CE2-CE3 4.48Å; Y58-W166 AromaticContact CE2-CH2 3.87Å; Y58-W166 HydrophobicContact CE2-CH2 3.87Å; Y58-W166 HydrophobicContact CE2-CZ2 4.32Å; Y58-W166 AromaticContact CE2-CZ3 3.95Å; Y58-W166 HydrophobicContact CE2-CZ3 3.95Å; T162-W166 PolarHBondContact O-N 3.5Å; C163-W166 PolarHBondContact O-N 2.8Å; W166-R168 VanDerWaalsContact C-N 3.32Å; W166-R168 PolarHBondContact O-N 3.11Å; W166-R169 WeakPolarHBondContact O-CB 3.46Å; W166-R169 PolarHBondContact O-N 2.7Å; W166-R169 VanDerWaalsContact O-N 3.15Å; W166-Y170 HydrophobicContact CB-CE2 3.98Å; W166-Y170 HydrophobicContact CE3-CD1 4.42Å; W166-Y170 AromaticContact CE3-CE1 3.48Å; W166-Y170 HydrophobicContact CE3-CE1 3.48Å; W166-Y170 VanDerWaalsContact CE3-CE1 3.48Å; W166-Y170 HydrophobicContact CE3-CE2 4.32Å; W166-Y170 AromaticContact CE3-CZ 3.41Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.41Å; W166-Y170 AromaticContact CZ3-CE1 3.88Å; W166-Y170 HydrophobicContact CZ3-CE1 3.88Å; W166-Y170 WeakPolarHBondContact O-CD2 3.39Å; W166-Y170 VanDerWaalsContact O-CG 3.23Å; W166-Y170 PolarHBondContact O-N 2.9Å |
| 167 | L | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.9 | -44.1 | 178 | 175.5 | 52.7 | 0 | 0 | 0 | 111.3 | H2 M4 V27 V102 C163 V164 R169 Y170 L171 | H2-L167 HydrophobicContact CB-CD1 4.46Å; M4-L167 HydrophobicContact CB-CB 4.12Å; M4-L167 HydrophobicContact CB-CD1 4.04Å; M4-L167 HydrophobicContact CB-CD2 4.14Å; M4-L167 HydrophobicContact CB-CG 4.31Å; V27-L167 HydrophobicContact CG1-CD1 3.61Å; V27-L167 HydrophobicContact CG2-CD1 4.28Å; V102-L167 HydrophobicContact CB-CD2 4.34Å; V102-L167 HydrophobicContact CG1-CD2 3.92Å; V102-L167 HydrophobicContact CG2-CD2 3.62Å; V102-L167 HydrophobicContact CG2-CG 4.16Å; C163-L167 WeakPolarHBondContact O-CB 3.47Å; C163-L167 PolarHBondContact O-N 2.89Å; V164-L167 PolarHBondContact O-N 2.89Å; L167-R169 PolarHBondContact O-N 2.67Å; L167-Y170 PolarHBondContact O-N 3.13Å; L167-L171 HydrophobicContact CD1-CD1 3.84Å; L167-L171 HydrophobicContact CD1-CD2 4.47Å; L167-L171 HydrophobicContact CD1-CG 3.89Å; L167-L171 HydrophobicContact CG-CD1 3.98Å; L167-L171 HydrophobicContact CG-CG 4.48Å; L167-L171 WeakPolarHBondContact O-CB 3.4Å; L167-L171 VanDerWaalsContact O-CG 3.25Å; L167-L171 WeakPolarHBondContact O-CG 3.47Å; L167-L171 PolarHBondContact O-N 3.33Å |
| 168 | R | 97.6 | Very high | 96.7 | Very high | 120 Ų | 120 | 57 Ų | 57 | 45% | 0.453 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.8 | -44.3 | 175.1 | -72.9 | 174.6 | -176.4 | 169.5 | 3 | 112.2 | G106 V164 E165 W166 L171 E172 | G106-R168 PolarHBondContact O-NE 2.62Å; G106-R168 PolarHBondContact O-NH2 2.87Å; V164-R168 WeakPolarHBondContact O-CG 3.41Å; V164-R168 PolarHBondContact O-N 2.88Å; E165-R168 PolarHBondContact O-N 2.82Å; W166-R168 VanDerWaalsContact C-N 3.32Å; W166-R168 PolarHBondContact O-N 3.11Å; R168-L171 PolarHBondContact O-N 3.15Å; R168-E172 PolarHBondContact O-N 3.07Å |
| 169 | R | 97.2 | Very high | 96.4 | Very high | 124 Ų | 124 | 58.1 Ų | 58.1 | 47% | 0.468 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.4 | -45.4 | 176.4 | 177.5 | 177.1 | 174.8 | 131.2 | -2.3 | 111.3 | E54 E165 W166 L167 E172 N173 | E54-R169 IonicContact OE1-CZ 3.43Å; E54-R169 IonicContact OE1-NE 3.74Å; E54-R169 PolarHBondContact OE1-NE 2.84Å; E54-R169 IonicContact OE1-NH2 2.69Å; E54-R169 PolarHBondContact OE1-NH2 2.87Å; E54-R169 IonicContact OE2-CZ 3.95Å; E54-R169 IonicContact OE2-NE 3.5Å; E54-R169 IonicContact OE2-NH2 2.88Å; E54-R169 PolarHBondContact OE2-NH2 3.45Å; E165-R169 PolarHBondContact O-N 3.23Å; E165-R169 VanDerWaalsContact O-N 3.08Å; W166-R169 WeakPolarHBondContact O-CB 3.46Å; W166-R169 PolarHBondContact O-N 2.7Å; W166-R169 VanDerWaalsContact O-N 3.15Å; L167-R169 PolarHBondContact O-N 2.67Å; R169-E172 PolarHBondContact O-N 2.91Å; R169-N173 WeakPolarHBondContact O-CB 3.26Å; R169-N173 PolarHBondContact O-N 2.88Å; R169-N173 PolarHBondContact O-OD1 2.85Å |
| 170 | Y | 97.7 | Very high | 96.2 | Very high | 2 Ų | 2 | 61.8 Ų | 61.8 | 1% | 0.008 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.8 | -38.1 | 179 | -61.2 | -26.3 | 0 | 0 | 0 | 112.7 | M4 V27 F32 W50 I51 Y58 W166 L167 E172 N173 G174 L178 | M4-Y170 HydrophobicContact SD-CD2 3.75Å; M4-Y170 HydrophobicContact SD-CE2 3.57Å; M4-Y170 VanDerWaalsContact SD-CE2 3.57Å; V27-Y170 HydrophobicContact CG2-CD2 4.04Å; F32-Y170 HydrophobicContact CD2-CE2 4.49Å; F32-Y170 HydrophobicContact CE2-CD2 4.22Å; F32-Y170 AromaticContact CE2-CE2 3.68Å; F32-Y170 HydrophobicContact CE2-CE2 3.68Å; F32-Y170 HydrophobicContact CZ-CD2 4.32Å; F32-Y170 AromaticContact CZ-CE2 3.88Å; F32-Y170 HydrophobicContact CZ-CE2 3.88Å; W50-Y170 HydrophobicContact CH2-CG 4.31Å; W50-Y170 AromaticContact CZ3-CD1 3.9Å; W50-Y170 HydrophobicContact CZ3-CD1 3.9Å; W50-Y170 HydrophobicContact CZ3-CD2 4.43Å; W50-Y170 AromaticContact CZ3-CG 3.74Å; W50-Y170 HydrophobicContact CZ3-CG 3.74Å; I51-Y170 HydrophobicContact CD1-CD1 3.77Å; I51-Y170 HydrophobicContact CD1-CE1 3.31Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.34Å; Y58-Y170 PolarHBondContact OH-OH 3.08Å; W166-Y170 HydrophobicContact CB-CE2 3.98Å; W166-Y170 HydrophobicContact CE3-CD1 4.42Å; W166-Y170 AromaticContact CE3-CE1 3.48Å; W166-Y170 HydrophobicContact CE3-CE1 3.48Å; W166-Y170 VanDerWaalsContact CE3-CE1 3.48Å; W166-Y170 HydrophobicContact CE3-CE2 4.32Å; W166-Y170 AromaticContact CE3-CZ 3.41Å; W166-Y170 VanDerWaalsContact CE3-CZ 3.41Å; W166-Y170 AromaticContact CZ3-CE1 3.88Å; W166-Y170 HydrophobicContact CZ3-CE1 3.88Å; W166-Y170 WeakPolarHBondContact O-CD2 3.39Å; W166-Y170 VanDerWaalsContact O-CG 3.23Å; W166-Y170 PolarHBondContact O-N 2.9Å; L167-Y170 PolarHBondContact O-N 3.13Å; Y170-E172 VanDerWaalsContact C-N 3.29Å; Y170-E172 PolarHBondContact O-N 3.27Å; Y170-N173 PolarHBondContact O-N 3.25Å; Y170-G174 WeakPolarHBondContact O-CA 3.44Å; Y170-G174 PolarHBondContact O-N 2.91Å; Y170-L178 WeakPolarHBondContact O-CD1 3.33Å |
| 171 | L | 97.1 | Very high | 96.2 | Very high | 14 Ų | 14 | 61 Ų | 61 | 7% | 0.073 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.3 | -33.4 | 174.5 | -72.7 | 168.2 | 0 | 0 | 0 | 112.8 | H2 V27 V102 L167 R168 K175 L178 Q179 | H2-L171 HydrophobicContact CB-CD1 3.64Å; H2-L171 HydrophobicContact CB-CD2 3.97Å; H2-L171 HydrophobicContact CB-CG 4.38Å; V27-L171 HydrophobicContact CG1-CD2 4.08Å; V102-L171 HydrophobicContact CG2-CD1 4.42Å; L167-L171 HydrophobicContact CD1-CD1 3.84Å; L167-L171 HydrophobicContact CD1-CD2 4.47Å; L167-L171 HydrophobicContact CD1-CG 3.89Å; L167-L171 HydrophobicContact CG-CD1 3.98Å; L167-L171 HydrophobicContact CG-CG 4.48Å; L167-L171 WeakPolarHBondContact O-CB 3.4Å; L167-L171 VanDerWaalsContact O-CG 3.25Å; L167-L171 WeakPolarHBondContact O-CG 3.47Å; L167-L171 PolarHBondContact O-N 3.33Å; R168-L171 PolarHBondContact O-N 3.15Å; L171-K175 WeakPolarHBondContact O-CA 3.32Å; L171-K175 WeakPolarHBondContact O-CB 2.85Å; L171-K175 PolarHBondContact O-N 2.87Å; L171-K175 VanDerWaalsContact O-N 3.15Å; L171-L178 HydrophobicContact CD2-CB 4.15Å; L171-L178 HydrophobicContact CD2-CD1 4.3Å; L171-Q179 PolarHBondContact O-NE2 2.81Å |
| 172 | E | 96.6 | Very high | 96.1 | Very high | 123 Ų | 123 | 62.3 Ų | 62.3 | 58% | 0.575 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -73.6 | -48.4 | 173.8 | -171.4 | 59.5 | -151.3 | 0 | 0 | 110.9 | R168 R169 Y170 G174 K175 | R168-E172 PolarHBondContact O-N 3.07Å; R169-E172 PolarHBondContact O-N 2.91Å; Y170-E172 VanDerWaalsContact C-N 3.29Å; Y170-E172 PolarHBondContact O-N 3.27Å; E172-G174 VanDerWaalsContact C-N 3.32Å; E172-G174 PolarHBondContact O-N 3.34Å; E172-K175 WeakPolarHBondContact O-CB 3.48Å; E172-K175 PolarHBondContact O-N 3.1Å |
| 173 | N | 96.6 | Very high | 96.1 | Very high | 50 Ų | 50 | 62.7 Ų | 62.7 | 27% | 0.267 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -58.5 | -43.5 | 178.4 | -69.6 | -4.1 | 0 | 0 | 0 | 112.5 | Q53 E54 R169 Y170 | Q53-N173 PolarHBondContact NE2-ND2 3.35Å; Q53-N173 PolarHBondContact NE2-OD1 2.88Å; Q53-N173 VanDerWaalsContact NE2-OD1 3.09Å; E54-N173 PolarHBondContact OE1-ND2 3.47Å; R169-N173 WeakPolarHBondContact O-CB 3.26Å; R169-N173 PolarHBondContact O-N 2.88Å; R169-N173 PolarHBondContact O-OD1 2.85Å; Y170-N173 PolarHBondContact O-N 3.25Å |
| 174 | G | 96 | Very high | 96.1 | Very high | 2 Ų | 2 | 63.1 Ų | 63.1 | 2% | 0.021 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | 18.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | W50 Y170 E172 E176 T177 L178 | W50-G174 VanDerWaalsContact CG-CA 3.47Å; Y170-G174 WeakPolarHBondContact O-CA 3.44Å; Y170-G174 PolarHBondContact O-N 2.91Å; E172-G174 VanDerWaalsContact C-N 3.32Å; E172-G174 PolarHBondContact O-N 3.34Å; G174-E176 VanDerWaalsContact C-N 3.28Å; G174-E176 PolarHBondContact O-N 2.86Å; G174-E176 VanDerWaalsContact O-N 3.15Å; G174-T177 PolarHBondContact O-N 2.81Å; G174-L178 WeakPolarHBondContact O-CB 3.48Å; G174-L178 PolarHBondContact O-N 2.85Å |
| 175 | K | 94.8 | Very high | 96.1 | Very high | 106 Ų | 106 | 70.4 Ų | 70.4 | 46% | 0.461 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -49.1 | -45 | -171.2 | -179.1 | 171.3 | -177.1 | 174.2 | 0 | 114.1 | L171 E172 T177 Q179 | L171-K175 WeakPolarHBondContact O-CA 3.32Å; L171-K175 WeakPolarHBondContact O-CB 2.85Å; L171-K175 PolarHBondContact O-N 2.87Å; L171-K175 VanDerWaalsContact O-N 3.15Å; E172-K175 WeakPolarHBondContact O-CB 3.48Å; E172-K175 PolarHBondContact O-N 3.1Å; K175-T177 PolarHBondContact O-N 2.87Å; K175-Q179 WeakPolarHBondContact O-CB 3.46Å; K175-Q179 PolarHBondContact O-N 2.97Å; K175-Q179 VanDerWaalsContact O-N 3.14Å |
| 176 | E | 92.8 | Very high | 96.1 | Very high | 182 Ų | 182 | 66.2 Ų | 66.2 | 85% | 0.85 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -64.6 | -24.6 | -179.9 | -63 | -174.6 | 165.7 | 0 | 0 | 113.7 | G174 | G174-E176 VanDerWaalsContact C-N 3.28Å; G174-E176 PolarHBondContact O-N 2.86Å; G174-E176 VanDerWaalsContact O-N 3.15Å |
| 177 | T | 92.6 | Very high | 95.9 | Very high | 47 Ų | 47 | 66.5 Ų | 66.5 | 29% | 0.288 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -103.1 | -43 | -178.3 | -53.5 | 0 | 0 | 0 | 0 | 112.3 | G174 K175 R180 | G174-T177 PolarHBondContact O-N 2.81Å; K175-T177 PolarHBondContact O-N 2.87Å; T177-R180 WeakPolarHBondContact O-CD 3.32Å; T177-R180 VanDerWaalsContact O-CG 3.26Å; T177-R180 WeakPolarHBondContact O-CG 3.48Å; T177-R180 PolarHBondContact O-NE 3.03Å |
| 178 | L | 93.7 | Very high | 95.8 | Very high | 5 Ų | 5 | 67.8 Ų | 67.8 | 3% | 0.026 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -83.2 | -30.2 | -172.5 | -64.2 | 172.5 | 0 | 0 | 0 | 112.8 | V27 T30 W50 Y170 L171 G174 | V27-L178 HydrophobicContact CB-CD1 4.26Å; V27-L178 HydrophobicContact CB-CD2 4.09Å; V27-L178 HydrophobicContact CG1-CD1 3.88Å; V27-L178 HydrophobicContact CG1-CD2 4.07Å; T30-L178 HydrophobicContact CG2-CD2 4.11Å; W50-L178 HydrophobicContact CD2-CD1 4.44Å; W50-L178 HydrophobicContact CH2-CD1 4.27Å; W50-L178 HydrophobicContact CZ2-CD1 3.82Å; W50-L178 HydrophobicContact CZ2-CD2 4.04Å; W50-L178 HydrophobicContact CZ2-CG 4.3Å; Y170-L178 WeakPolarHBondContact O-CD1 3.33Å; L171-L178 HydrophobicContact CD2-CB 4.15Å; L171-L178 HydrophobicContact CD2-CD1 4.3Å; G174-L178 WeakPolarHBondContact O-CB 3.48Å; G174-L178 PolarHBondContact O-N 2.85Å |
| 179 | Q | 92.2 | Very high | 95.6 | Very high | 87 Ų | 87 | 63.7 Ų | 63.7 | 41% | 0.407 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -103.6 | 13.3 | 178.9 | -55 | 179.2 | 33.8 | 0 | 0 | 112.1 | L171 K175 | L171-Q179 PolarHBondContact O-NE2 2.81Å; K175-Q179 WeakPolarHBondContact O-CB 3.46Å; K175-Q179 PolarHBondContact O-N 2.97Å; K175-Q179 VanDerWaalsContact O-N 3.14Å |
| 180 | R | 94.3 | Very high | 95.5 | Very high | 77 Ų | 77 | 60.7 Ų | 60.7 | 29% | 0.291 | 30% | 0.299 | S | S | . | . | trans | -76.5 | 157.5 | 171.6 | 81.8 | -171.6 | 170.8 | 177.3 | 4 | 110.1 | T177 D182 Y208 | T177-R180 WeakPolarHBondContact O-CD 3.32Å; T177-R180 VanDerWaalsContact O-CG 3.26Å; T177-R180 WeakPolarHBondContact O-CG 3.48Å; T177-R180 PolarHBondContact O-NE 3.03Å; R180-D182 WeakPolarHBondContact CD-OD2 3.2Å; R180-D182 IonicContact CZ-OD2 3.72Å; R180-D182 IonicContact NE-OD2 3.63Å; R180-D182 PolarHBondContact NE-OD2 3.45Å; R180-Y208 HydrophobicContact CG-CD1 3.78Å; R180-Y208 HydrophobicContact CG-CE1 4.23Å; R180-Y208 WeakPolarHBondContact O-CD1 3.44Å | ||
| 181 | T | 95.1 | Very high | 95.3 | Very high | 55 Ų | 55 | 64.4 Ų | 64.4 | 34% | 0.337 | 32% | 0.317 | S | S | . | . | trans | -136.6 | 113.3 | 170.9 | -33 | 0 | 0 | 0 | 0 | 108.9 | Y208 E263 | T181-Y208 WeakPolarHBondContact CA-O 3.37Å; T181-E263 HydrophobicContact CG2-CB 4.07Å; T181-E263 HydrophobicContact CG2-CG 4.18Å | ||
| 182 | D | 96.5 | Very high | 95.1 | Very high | 51 Ų | 51 | 68.5 Ų | 68.5 | 27% | 0.273 | 34% | 0.344 | S | S | . | . | B | Isolated β-bridge | trans | -102.2 | 114.5 | -178.5 | -63.8 | -37.5 | 0 | 0 | 0 | 108.1 | R180 F207 Y208 H262 | R180-D182 WeakPolarHBondContact CD-OD2 3.2Å; R180-D182 IonicContact CZ-OD2 3.72Å; R180-D182 IonicContact NE-OD2 3.63Å; R180-D182 PolarHBondContact NE-OD2 3.45Å; D182-F207 VanDerWaalsContact O-CA 3.25Å; D182-F207 WeakPolarHBondContact O-CA 3.25Å; D182-F207 WeakPolarHBondContact O-CB 3.45Å; D182-Y208 PolarHBondContact N-O 2.68Å; D182-Y208 PolarHBondContact O-N 3.02Å; D182-Y208 VanDerWaalsContact O-N 3.14Å; D182-H262 PolarHBondContact O-CE1 3.44Å |
| 183 | P | 97.7 | Very high | 94.8 | Very high | 67 Ų | 67 | 67.3 Ų | 67.3 | 44% | 0.435 | 34% | 0.341 | S | S | . | . | trans | -68.4 | 146.5 | -179.1 | 26.1 | -33.1 | 0 | 0 | 0 | 111.7 | K185 L265 | P183-K185 PolarHBondContact O-N 2.89Å; P183-L265 HydrophobicContact CB-CD2 3.89Å | ||
| 184 | P | 98.1 | Very high | 94.6 | Very high | 9 Ų | 9 | 67.5 Ų | 67.5 | 6% | 0.058 | 35% | 0.346 | C | S | . | . | trans | -65.9 | 134.1 | 178.8 | 27.5 | -35.1 | 0 | 0 | 0 | 112 | T186 A204 F207 I212 V260 H262 L265 | P184-T186 HydrophobicContact CB-CG2 4.15Å; P184-T186 HydrophobicContact CG-CG2 4.29Å; P184-T186 PolarHBondContact O-N 3.29Å; P184-A204 HydrophobicContact CB-CB 3.86Å; P184-F207 HydrophobicContact CB-CB 3.86Å; P184-F207 HydrophobicContact CB-CD1 3.91Å; P184-F207 HydrophobicContact CB-CG 4.14Å; P184-I212 HydrophobicContact CB-CD1 4.03Å; P184-I212 HydrophobicContact CG-CD1 4.06Å; P184-V260 HydrophobicContact CG-CG1 3.96Å; P184-H262 HydrophobicContact CG-CB 4.16Å; P184-L265 HydrophobicContact CG-CD1 3.86Å; P184-L265 HydrophobicContact CG-CD2 4.44Å; P184-L265 HydrophobicContact CG-CG 4.23Å | ||
| 185 | K | 97.9 | Very high | 94.3 | Very high | 159 Ų | 159 | 74.6 Ų | 74.6 | 69% | 0.691 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 107.9 | 164.3 | -64.7 | 174.4 | -173.8 | 168.7 | 0 | 108.1 | P183 L205 | P183-K185 PolarHBondContact O-N 2.89Å; K185-L205 PolarHBondContact N-O 2.99Å; K185-L205 PolarHBondContact O-N 2.89Å |
| 186 | T | 97.1 | Very high | 94.1 | Very high | 39 Ų | 39 | 76.4 Ų | 76.4 | 24% | 0.239 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 139.3 | -174.7 | 55.7 | 0 | 0 | 0 | 0 | 112.3 | P184 W203 A204 V260 L269 L271 | P184-T186 HydrophobicContact CB-CG2 4.15Å; P184-T186 HydrophobicContact CG-CG2 4.29Å; P184-T186 PolarHBondContact O-N 3.29Å; T186-W203 WeakPolarHBondContact CA-O 3.03Å; T186-A204 HydrophobicContact CG2-CB 4.47Å; T186-V260 HydrophobicContact CG2-CB 4.48Å; T186-V260 HydrophobicContact CG2-CG1 4.26Å; T186-V260 HydrophobicContact CG2-CG2 4.09Å; T186-L269 HydrophobicContact CG2-CD1 4.32Å; T186-L271 HydrophobicContact CG2-CD1 4.1Å |
| 187 | H | 94.6 | Very high | 94.2 | Very high | 78 Ų | 78 | 72.1 Ų | 72.1 | 36% | 0.361 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 162.7 | 169.7 | 67.1 | -77.4 | 0 | 0 | 0 | 110.5 | W203 | H187-W203 AromaticContact CD2-CD1 3.91Å; H187-W203 WeakPolarHBondContact CE1-CB 3.49Å; H187-W203 AromaticContact CE1-CD1 3.85Å; H187-W203 AromaticContact CE1-CG 3.53Å; H187-W203 PolarHBondContact N-O 2.69Å; H187-W203 AromaticContact NE2-CD1 3.42Å; H187-W203 AromaticContact NE2-CG 3.58Å; H187-W203 PolarHBondContact O-N 2.8Å |
| 188 | M | 95.3 | Very high | 94.3 | Very high | 27 Ų | 27 | 69.9 Ų | 69.9 | 13% | 0.133 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 147.7 | 174.4 | -77.5 | -170.7 | 165.6 | 0 | 0 | 111.1 | R201 W216 C258 L271 W273 | M188-R201 CarbonylContact C-O 3.5Å; M188-R201 WeakPolarHBondContact CA-O 3.5Å; M188-W216 HydrophobicContact CE-CH2 3.16Å; M188-W216 HydrophobicContact CE-CZ2 4Å; M188-W216 HydrophobicContact CE-CZ3 3.54Å; M188-W216 HydrophobicContact SD-CH2 4.11Å; M188-C258 HydrophobicContact CE-CB 3.45Å; M188-C258 VanDerWaalsContact CE-CB 3.45Å; M188-L271 HydrophobicContact CE-CB 3.78Å; M188-L271 WeakPolarHBondContact CE-O 3.15Å; M188-L271 HydrophobicContact CG-CB 4.43Å; M188-L271 HydrophobicContact SD-CB 4.4Å; M188-W273 HydrophobicContact CB-CE3 3.87Å; M188-W273 HydrophobicContact CB-CZ3 4.22Å; M188-W273 HydrophobicContact SD-CB 4.15Å; M188-W273 PolarHBondContact SD-N 3.07Å |
| 189 | T | 94.5 | Very high | 94.4 | Very high | 34 Ų | 34 | 70.8 Ų | 70.8 | 21% | 0.209 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 141.9 | 172.8 | 52.1 | 0 | 0 | 0 | 0 | 109.1 | H191 R201 W203 | T189-H191 VanDerWaalsContact CB-CE1 3.49Å; T189-H191 WeakPolarHBondContact CB-CE1 3.46Å; T189-H191 PolarHBondContact OG1-CE1 3.41Å; T189-R201 PolarHBondContact N-O 2.84Å; T189-R201 PolarHBondContact O-N 2.63Å; T189-R201 WeakPolarHBondContact OG1-CB 3.39Å; T189-R201 PolarHBondContact OG1-O 3.32Å; T189-W203 PolarHBondContact OG1-NE1 3.02Å |
| 190 | H | 93.8 | Very high | 94.6 | Very high | 60 Ų | 60 | 66.6 Ų | 66.6 | 28% | 0.278 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 124.7 | -178.4 | 172.1 | -93.3 | 0 | 0 | 0 | 109.2 | A198 T199 L200 E253 W273 | H190-A198 WeakPolarHBondContact NE2-CB 3.29Å; H190-T199 WeakPolarHBondContact CA-O 3.39Å; H190-L200 HydrophobicContact CB-CD2 4.07Å; H190-E253 IonicContact NE2-OE1 3.71Å; H190-W273 HydrophobicContact CB-CD2 4.23Å; H190-W273 HydrophobicContact CB-CE3 4.18Å; H190-W273 HydrophobicContact CB-CH2 3.35Å; H190-W273 HydrophobicContact CB-CZ2 3.36Å; H190-W273 HydrophobicContact CB-CZ3 3.78Å; H190-W273 AromaticContact CG-CZ2 3.92Å |
| 191 | H | 93.3 | Very high | 94.8 | Very high | 81 Ų | 81 | 65.4 Ų | 65.4 | 38% | 0.375 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 103.9 | -178.6 | -56.7 | 83.1 | 0 | 0 | 0 | 108.9 | T189 I193 A198 T199 R201 | T189-H191 VanDerWaalsContact CB-CE1 3.49Å; T189-H191 WeakPolarHBondContact CB-CE1 3.46Å; T189-H191 PolarHBondContact OG1-CE1 3.41Å; H191-I193 PolarHBondContact O-N 2.84Å; H191-A198 CarbonylContact O-C 3.53Å; H191-A198 WeakPolarHBondContact O-CA 3.25Å; H191-T199 PolarHBondContact N-O 3.1Å; H191-T199 PolarHBondContact O-N 3.38Å; H191-R201 PolarHBondContact CE1-NH1 3.15Å |
| 192 | P | 92.9 | Very high | 94.9 | Very high | 100 Ų | 100 | 62.8 Ų | 62.8 | 65% | 0.649 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57.7 | 131.4 | 173.4 | -20.3 | 30.7 | 0 | 0 | 0 | 110.7 | ||
| 193 | I | 91.7 | Very high | 94.9 | Very high | 98 Ų | 98 | 62.6 Ų | 62.6 | 50% | 0.503 | 32% | 0.32 | S | S | . | . | trans | -98.6 | -45.5 | 172.9 | -61.7 | 162.3 | 0 | 0 | 0 | 109.3 | H191 E197 T199 V247 | H191-I193 PolarHBondContact O-N 2.84Å; I193-E197 PolarHBondContact N-O 3.13Å; I193-T199 VanDerWaalsContact CD1-OG1 3.24Å; I193-T199 WeakPolarHBondContact CD1-OG1 3.42Å; I193-V247 HydrophobicContact CD1-CG1 4.07Å; I193-V247 HydrophobicContact CD1-CG2 4.13Å | ||
| 194 | S | 91.9 | Very high | 95 | Very high | 54 Ų | 54 | 59.4 Ų | 59.4 | 38% | 0.378 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -148.5 | -177.6 | 178.6 | 71.6 | 0 | 0 | 0 | 0 | 110.4 | H196 E197 | S194-H196 PolarHBondContact O-N 2.9Å; S194-H196 VanDerWaalsContact O-N 3.17Å; S194-H196 PolarHBondContact OG-N 2.73Å; S194-E197 PolarHBondContact N-O 3.4Å; S194-E197 VanDerWaalsContact O-O 3.11Å; S194-E197 PolarHBondContact OG-N 3.47Å |
| 195 | D | 88.8 | Confident | 95 | Very high | 151 Ų | 151 | 61.6 Ų | 61.6 | 81% | 0.807 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -66.2 | -10 | 173 | -65.2 | -22.1 | 0 | 0 | 0 | 113.4 | ||
| 196 | H | 92 | Very high | 94.9 | Very high | 144 Ų | 144 | 55.1 Ų | 55.1 | 67% | 0.667 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -114.7 | -16.4 | -175.6 | -57.1 | -44.6 | 0 | 0 | 0 | 113.5 | S194 P249 S250 | S194-H196 PolarHBondContact O-N 2.9Å; S194-H196 VanDerWaalsContact O-N 3.17Å; S194-H196 PolarHBondContact OG-N 2.73Å; H196-P249 CarbonylContact O-C 3.58Å; H196-P249 WeakPolarHBondContact O-CA 3.42Å; H196-S250 PolarHBondContact O-N 3.26Å; H196-S250 PolarHBondContact O-OG 2.87Å |
| 197 | E | 94.3 | Very high | 95 | Very high | 91 Ų | 91 | 53.3 Ų | 53.3 | 43% | 0.425 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 145.8 | -170.8 | -67 | 179.4 | 178.4 | 0 | 0 | 112.2 | I193 S194 V247 V248 S250 | I193-E197 PolarHBondContact N-O 3.13Å; S194-E197 PolarHBondContact N-O 3.4Å; S194-E197 VanDerWaalsContact O-O 3.11Å; S194-E197 PolarHBondContact OG-N 3.47Å; E197-V247 HydrophobicContact CB-CG1 4.16Å; E197-V247 HydrophobicContact CG-CG1 4.37Å; E197-V248 WeakPolarHBondContact CA-O 3.41Å; E197-S250 PolarHBondContact N-OG 3.12Å |
| 198 | A | 94.5 | Very high | 95.1 | Very high | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.008 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 155.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | H190 H191 V247 V248 | H190-A198 WeakPolarHBondContact NE2-CB 3.29Å; H191-A198 CarbonylContact O-C 3.53Å; H191-A198 WeakPolarHBondContact O-CA 3.25Å; A198-V247 WeakPolarHBondContact O-CA 3.48Å; A198-V248 PolarHBondContact N-O 3.27Å; A198-V248 WeakPolarHBondContact O-CG2 3.33Å; A198-V248 PolarHBondContact O-N 2.96Å |
| 199 | T | 96.1 | Very high | 95.1 | Very high | 23 Ų | 23 | 49.6 Ų | 49.6 | 14% | 0.141 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 120.9 | 168.8 | -52.4 | 0 | 0 | 0 | 0 | 109.7 | H190 H191 I193 A245 V246 | H190-T199 WeakPolarHBondContact CA-O 3.39Å; H191-T199 PolarHBondContact N-O 3.1Å; H191-T199 PolarHBondContact O-N 3.38Å; I193-T199 VanDerWaalsContact CD1-OG1 3.24Å; I193-T199 WeakPolarHBondContact CD1-OG1 3.42Å; T199-A245 HydrophobicContact CG2-CB 3.83Å; T199-V246 WeakPolarHBondContact CA-O 3.18Å |
| 200 | L | 96.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 126.6 | 163 | -68.4 | 179.9 | 0 | 0 | 0 | 109 | H190 W216 A245 V246 V248 E253 W273 | H190-L200 HydrophobicContact CB-CD2 4.07Å; L200-W216 HydrophobicContact CB-CH2 3.6Å; L200-W216 HydrophobicContact CB-CZ2 3.92Å; L200-W216 HydrophobicContact CB-CZ3 4.47Å; L200-W216 HydrophobicContact CD1-CH2 4.08Å; L200-W216 HydrophobicContact CD1-CZ3 4.3Å; L200-W216 HydrophobicContact CG-CH2 4.49Å; L200-A245 CarbonylContact O-C 3.54Å; L200-A245 WeakPolarHBondContact O-CA 3.45Å; L200-V246 HydrophobicContact CB-CG1 4.3Å; L200-V246 PolarHBondContact N-O 2.84Å; L200-V246 PolarHBondContact O-N 3.45Å; L200-V248 HydrophobicContact CD1-CG1 3.98Å; L200-V248 HydrophobicContact CD1-CG2 3.98Å; L200-V248 HydrophobicContact CG-CG1 4.26Å; L200-V248 HydrophobicContact CG-CG2 3.84Å; L200-E253 HydrophobicContact CD1-CB 4.02Å; L200-E253 HydrophobicContact CD1-CG 4.37Å; L200-E253 HydrophobicContact CD2-CG 4.42Å; L200-W273 HydrophobicContact CD1-CB 4.27Å; L200-W273 HydrophobicContact CD2-CB 4.09Å; L200-W273 HydrophobicContact CD2-CD2 4Å; L200-W273 HydrophobicContact CD2-CE3 4.24Å; L200-W273 HydrophobicContact CD2-CG 3.93Å |
| 201 | R | 97.3 | Very high | 95.4 | Very high | 51 Ų | 51 | 52.8 Ų | 52.8 | 19% | 0.192 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 121.5 | 176 | -179.7 | -175.8 | -60.9 | 121.5 | 3.1 | 110.4 | M188 T189 H191 W203 W243 A244 A245 | M188-R201 CarbonylContact C-O 3.5Å; M188-R201 WeakPolarHBondContact CA-O 3.5Å; T189-R201 PolarHBondContact N-O 2.84Å; T189-R201 PolarHBondContact O-N 2.63Å; T189-R201 WeakPolarHBondContact OG1-CB 3.39Å; T189-R201 PolarHBondContact OG1-O 3.32Å; H191-R201 PolarHBondContact CE1-NH1 3.15Å; R201-W203 HydrophobicContact CG-CZ2 4.41Å; R201-W243 HydrophobicContact CG-CB 4.04Å; R201-W243 HydrophobicContact CG-CD2 4.13Å; R201-W243 HydrophobicContact CG-CE3 3.85Å; R201-W243 HydrophobicContact CG-CG 4.27Å; R201-A244 WeakPolarHBondContact CA-O 3.3Å; R201-A245 HydrophobicContact CB-CB 3.93Å; R201-A245 HydrophobicContact CG-CB 4.09Å |
| 202 | C | 97.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 122 | 176.2 | -176.3 | 0 | 0 | 0 | 0 | 109.4 | W216 W243 A244 C258 | C202-W216 HydrophobicContact CB-CZ2 3.72Å; C202-W243 CarbonylContact O-C 3.52Å; C202-W243 WeakPolarHBondContact O-CA 3.19Å; C202-W243 VanDerWaalsContact O-CB 3.23Å; C202-W243 WeakPolarHBondContact O-CB 2.98Å; C202-A244 PolarHBondContact N-O 3.47Å; C202-A244 PolarHBondContact O-N 3.03Å; C202-C258 HydrophobicContact CB-CB 3.54Å; C202-C258 WeakPolarHBondContact CB-SG 3.48Å; C202-C258 WeakPolarHBondContact SG-CB 3.25Å; C202-C258 CovalentContact SG-SG 2.04Å; C202-C258 PolarHBondContact SG-SG 2.86Å |
| 203 | W | 98 | Very high | 95.8 | Very high | 47 Ų | 47 | 47.5 Ų | 47.5 | 18% | 0.178 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 142.5 | -179.5 | -68.4 | 89.1 | 0 | 0 | 0 | 110.8 | T186 H187 T189 R201 L205 W243 | T186-W203 WeakPolarHBondContact CA-O 3.03Å; H187-W203 AromaticContact CD2-CD1 3.91Å; H187-W203 WeakPolarHBondContact CE1-CB 3.49Å; H187-W203 AromaticContact CE1-CD1 3.85Å; H187-W203 AromaticContact CE1-CG 3.53Å; H187-W203 PolarHBondContact N-O 2.69Å; H187-W203 AromaticContact NE2-CD1 3.42Å; H187-W203 AromaticContact NE2-CG 3.58Å; H187-W203 PolarHBondContact O-N 2.8Å; T189-W203 PolarHBondContact OG1-NE1 3.02Å; R201-W203 HydrophobicContact CG-CZ2 4.41Å; W203-L205 HydrophobicContact CE3-CD2 3.99Å; W203-W243 HydrophobicContact CD2-CB 3.91Å; W203-W243 HydrophobicContact CD2-CG 4.41Å; W203-W243 HydrophobicContact CE3-CB 3.8Å; W203-W243 AromaticContact CE3-CD1 3.8Å; W203-W243 HydrophobicContact CE3-CG 4.09Å; W203-W243 HydrophobicContact CG-CB 4.34Å; W203-W243 AromaticContact CH2-CD1 3.66Å; W203-W243 HydrophobicContact CH2-CG 4.23Å; W203-W243 HydrophobicContact CZ3-CB 4.24Å; W203-W243 AromaticContact CZ3-CD1 3.34Å; W203-W243 HydrophobicContact CZ3-CG 4.01Å |
| 204 | A | 98.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 122.2 | 164.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | P184 T186 F207 I212 L214 Q241 K242 | P184-A204 HydrophobicContact CB-CB 3.86Å; T186-A204 HydrophobicContact CG2-CB 4.47Å; A204-F207 HydrophobicContact CB-CD1 4.11Å; A204-F207 HydrophobicContact CB-CE1 3.87Å; A204-F207 WeakPolarHBondContact O-CE1 3.37Å; A204-I212 HydrophobicContact CB-CD1 3.74Å; A204-L214 HydrophobicContact CB-CD1 4.12Å; A204-L214 HydrophobicContact CB-CD2 4.24Å; A204-Q241 VanDerWaalsContact O-CA 3.3Å; A204-Q241 WeakPolarHBondContact O-CA 3.4Å; A204-K242 PolarHBondContact N-O 2.87Å; A204-K242 PolarHBondContact O-N 3.19Å; A204-K242 VanDerWaalsContact O-O 3.08Å |
| 205 | L | 98.2 | Very high | 96.3 | Very high | 55 Ų | 55 | 42.5 Ų | 42.5 | 29% | 0.288 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 149.1 | -175.1 | -58.7 | 179.4 | 0 | 0 | 0 | 111.4 | K185 W203 F207 Q241 | K185-L205 PolarHBondContact N-O 2.99Å; K185-L205 PolarHBondContact O-N 2.89Å; W203-L205 HydrophobicContact CE3-CD2 3.99Å; L205-F207 PolarHBondContact O-N 2.71Å; L205-Q241 HydrophobicContact CD2-CB 3.54Å |
| 206 | G | 97.5 | Very high | 96.7 | Very high | 24 Ų | 24 | 35.4 Ų | 35.4 | 25% | 0.247 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 67.8 | 32.5 | 167.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | F240 | G206-F240 PolarHBondContact N-O 3.05Å |
| 207 | F | 97.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 157.1 | 179.6 | 59.4 | -89.5 | 0 | 0 | 0 | 112.3 | D182 P184 A204 L205 P209 I212 T232 T239 F240 K242 H262 | D182-F207 VanDerWaalsContact O-CA 3.25Å; D182-F207 WeakPolarHBondContact O-CA 3.25Å; D182-F207 WeakPolarHBondContact O-CB 3.45Å; P184-F207 HydrophobicContact CB-CB 3.86Å; P184-F207 HydrophobicContact CB-CD1 3.91Å; P184-F207 HydrophobicContact CB-CG 4.14Å; A204-F207 HydrophobicContact CB-CD1 4.11Å; A204-F207 HydrophobicContact CB-CE1 3.87Å; A204-F207 WeakPolarHBondContact O-CE1 3.37Å; L205-F207 PolarHBondContact O-N 2.71Å; F207-P209 VanDerWaalsContact CD2-O 3.3Å; F207-P209 WeakPolarHBondContact CD2-O 3.31Å; F207-I212 HydrophobicContact CD1-CD1 3.91Å; F207-I212 HydrophobicContact CD2-CB 4.27Å; F207-I212 HydrophobicContact CD2-CD1 3.98Å; F207-I212 HydrophobicContact CE1-CD1 3.81Å; F207-I212 HydrophobicContact CE1-CG2 4.42Å; F207-I212 HydrophobicContact CE2-CB 3.73Å; 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 4Å; F207-I212 HydrophobicContact CZ-CB 4.11Å; F207-I212 HydrophobicContact CZ-CD1 3.85Å; F207-I212 HydrophobicContact CZ-CG2 3.51Å; F207-T232 HydrophobicContact CE2-CG2 4.08Å; F207-T232 HydrophobicContact CZ-CG2 3.89Å; F207-T239 WeakPolarHBondContact O-CA 3.21Å; F207-F240 VanDerWaalsContact CD1-O 3.31Å; F207-F240 WeakPolarHBondContact CD1-O 3.33Å; F207-F240 HydrophobicContact CD2-CB 3.95Å; F207-F240 HydrophobicContact CE1-CB 4.27Å; F207-F240 WeakPolarHBondContact CE1-O 3.44Å; F207-F240 HydrophobicContact CE2-CB 3.49Å; F207-F240 VanDerWaalsContact CE2-CB 3.49Å; F207-F240 HydrophobicContact CE2-CG 4.49Å; F207-F240 HydrophobicContact CG-CB 4.49Å; F207-F240 HydrophobicContact CZ-CB 3.65Å; F207-F240 PolarHBondContact N-O 3.01Å; F207-F240 PolarHBondContact O-N 3.4Å; F207-K242 HydrophobicContact CE1-CB 4.36Å; F207-K242 HydrophobicContact CZ-CB 4.11Å; F207-H262 AromaticContact CD2-CD2 3.83Å; F207-H262 AromaticContact CD2-NE2 3.64Å |
| 208 | Y | 96.7 | Very high | 97 | Very high | 4 Ų | 4 | 30 Ų | 30 | 2% | 0.016 | 15% | 0.154 | C | C | . | . | B | Isolated β-bridge | trans | -151.2 | 135.7 | 173.2 | -179.4 | -85.3 | 0 | 0 | 0 | 108.8 | D29 T30 R180 T181 D182 G238 F240 H262 | D29-Y208 HydrophobicContact CB-CE2 4.46Å; T30-Y208 PolarHBondContact OG1-OH 3.4Å; R180-Y208 HydrophobicContact CG-CD1 3.78Å; R180-Y208 HydrophobicContact CG-CE1 4.23Å; R180-Y208 WeakPolarHBondContact O-CD1 3.44Å; T181-Y208 WeakPolarHBondContact CA-O 3.37Å; D182-Y208 PolarHBondContact N-O 2.68Å; D182-Y208 PolarHBondContact O-N 3.02Å; D182-Y208 VanDerWaalsContact O-N 3.14Å; Y208-G238 WeakPolarHBondContact CD2-O 3.32Å; Y208-F240 HydrophobicContact CD2-CD2 4.37Å; Y208-F240 AromaticContact CD2-CE2 3.91Å; Y208-F240 HydrophobicContact CD2-CE2 3.91Å; Y208-F240 HydrophobicContact CE2-CE2 4.32Å; Y208-H262 PolarHBondContact O-CE1 3.05Å |
| 209 | P | 95.9 | Very high | 96.9 | Very high | 23 Ų | 23 | 34.8 Ų | 34.8 | 15% | 0.149 | 18% | 0.179 | C | C | . | . | S | Bend | cis | -73.9 | -176.7 | 4.9 | 32 | -37.5 | 0 | 0 | 0 | 114.2 | F207 E211 H262 | F207-P209 VanDerWaalsContact CD2-O 3.3Å; F207-P209 WeakPolarHBondContact CD2-O 3.31Å; P209-E211 VanDerWaalsContact C-N 3.29Å; P209-E211 PolarHBondContact O-N 2.88Å; P209-H262 PolarHBondContact O-NE2 3.16Å |
| 210 | A | 96.9 | Very high | 96.6 | Very high | 15 Ų | 15 | 36 Ų | 36 | 12% | 0.124 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -71.1 | -23.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | D29 I212 T232 F240 | D29-A210 HydrophobicContact CB-CB 4.21Å; D29-A210 WeakPolarHBondContact OD2-CB 3.36Å; D29-A210 PolarHBondContact OD2-N 3.43Å; A210-I212 PolarHBondContact O-N 2.9Å; A210-T232 HydrophobicContact CB-CG2 4.28Å; A210-T232 WeakPolarHBondContact O-CG2 3.36Å; A210-F240 HydrophobicContact CB-CD1 3.72Å; A210-F240 HydrophobicContact CB-CD2 3.74Å; A210-F240 HydrophobicContact CB-CE1 3.7Å; A210-F240 HydrophobicContact CB-CE2 3.73Å; A210-F240 HydrophobicContact CB-CG 3.76Å; A210-F240 HydrophobicContact CB-CZ 3.74Å |
| 211 | E | 96.8 | Very high | 96.5 | Very high | 147 Ų | 147 | 42.2 Ų | 42.2 | 69% | 0.687 | 23% | 0.226 | S | C | * | . | trans | -67.1 | 112.9 | -178.5 | -171.7 | 59 | -146.1 | 0 | 0 | 110.8 | P209 H262 | P209-E211 VanDerWaalsContact C-N 3.29Å; P209-E211 PolarHBondContact O-N 2.88Å; E211-H262 PolarHBondContact O-CD2 2.85Å; E211-H262 VanDerWaalsContact O-CD2 3.27Å | ||
| 212 | I | 97.6 | Very high | 96.4 | Very high | 11 Ų | 11 | 44.5 Ų | 44.5 | 6% | 0.056 | 24% | 0.242 | C | C | . | . | trans | -149.3 | 142.6 | -179.2 | -164 | 170.6 | 0 | 0 | 0 | 109.7 | P184 A204 F207 A210 L214 K242 V260 Q261 H262 | P184-I212 HydrophobicContact CB-CD1 4.03Å; P184-I212 HydrophobicContact CG-CD1 4.06Å; A204-I212 HydrophobicContact CB-CD1 3.74Å; F207-I212 HydrophobicContact CD1-CD1 3.91Å; F207-I212 HydrophobicContact CD2-CB 4.27Å; F207-I212 HydrophobicContact CD2-CD1 3.98Å; F207-I212 HydrophobicContact CE1-CD1 3.81Å; F207-I212 HydrophobicContact CE1-CG2 4.42Å; F207-I212 HydrophobicContact CE2-CB 3.73Å; 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 4Å; F207-I212 HydrophobicContact CZ-CB 4.11Å; F207-I212 HydrophobicContact CZ-CD1 3.85Å; F207-I212 HydrophobicContact CZ-CG2 3.51Å; A210-I212 PolarHBondContact O-N 2.9Å; I212-L214 HydrophobicContact CB-CD1 4.48Å; I212-L214 HydrophobicContact CD1-CD1 3.7Å; I212-L214 HydrophobicContact CG1-CD1 3.65Å; I212-L214 HydrophobicContact CG2-CD1 4.11Å; I212-K242 HydrophobicContact CG2-CB 4.21Å; I212-K242 HydrophobicContact CG2-CD 3.56Å; I212-V260 HydrophobicContact CD1-CG1 3.96Å; I212-V260 HydrophobicContact CG1-CG1 4.29Å; I212-Q261 VanDerWaalsContact CG1-O 3.31Å; I212-Q261 WeakPolarHBondContact CG1-O 3.18Å; I212-H262 HydrophobicContact CD1-CB 4.29Å; I212-H262 HydrophobicContact CG1-CB 4.06Å | ||
| 213 | T | 97.5 | Very high | 96.2 | Very high | 58 Ų | 58 | 45.2 Ų | 45.2 | 36% | 0.356 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 122.8 | 174.5 | -61.2 | 0 | 0 | 0 | 0 | 110.2 | T215 V260 Q261 | T213-T215 HydrophobicContact CG2-CG2 4.04Å; T213-V260 WeakPolarHBondContact O-CA 3.4Å; T213-Q261 PolarHBondContact N-O 3.08Å; T213-Q261 PolarHBondContact O-N 3.14Å |
| 214 | L | 97.6 | Very high | 95.6 | Very high | 6 Ų | 6 | 48.1 Ų | 48.1 | 3% | 0.031 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 125.1 | 172.6 | -86.6 | 60.8 | 0 | 0 | 0 | 108.3 | A204 I212 L229 K242 A244 H259 V260 | A204-L214 HydrophobicContact CB-CD1 4.12Å; A204-L214 HydrophobicContact CB-CD2 4.24Å; I212-L214 HydrophobicContact CB-CD1 4.48Å; I212-L214 HydrophobicContact CD1-CD1 3.7Å; I212-L214 HydrophobicContact CG1-CD1 3.65Å; I212-L214 HydrophobicContact CG2-CD1 4.11Å; L214-L229 HydrophobicContact CB-CD1 4.09Å; L214-K242 HydrophobicContact CD1-CD 4.24Å; L214-K242 HydrophobicContact CD2-CB 4.31Å; L214-K242 HydrophobicContact CD2-CD 4.45Å; L214-K242 HydrophobicContact CD2-CG 4.33Å; L214-A244 HydrophobicContact CB-CB 4.05Å; L214-A244 HydrophobicContact CD2-CB 4.28Å; L214-H259 WeakPolarHBondContact CA-O 3.4Å; L214-V260 HydrophobicContact CD1-CG1 4.05Å; L214-V260 HydrophobicContact CD1-CG2 4.48Å; L214-V260 HydrophobicContact CG-CG2 4.29Å |
| 215 | T | 96.6 | Very high | 95 | Very high | 41 Ų | 41 | 57.1 Ų | 57.1 | 25% | 0.252 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 148.5 | 178.7 | 48.4 | 0 | 0 | 0 | 0 | 110.9 | T213 C258 H259 | T213-T215 HydrophobicContact CG2-CG2 4.04Å; T215-C258 CarbonylContact O-C 3.59Å; T215-C258 WeakPolarHBondContact O-CA 3.48Å; T215-H259 PolarHBondContact N-O 2.79Å; T215-H259 PolarHBondContact O-N 3.38Å; T215-H259 WeakPolarHBondContact OG1-CB 3.45Å |
| 216 | W | 97.1 | Very high | 94.4 | Very high | 2 Ų | 2 | 59.9 Ų | 59.9 | 1% | 0.008 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 137.2 | 171.9 | -82.2 | 103 | 0 | 0 | 0 | 110.1 | M188 L200 C202 Q223 A244 V246 T257 C258 | M188-W216 HydrophobicContact CE-CH2 3.16Å; M188-W216 HydrophobicContact CE-CZ2 4Å; M188-W216 HydrophobicContact CE-CZ3 3.54Å; M188-W216 HydrophobicContact SD-CH2 4.11Å; L200-W216 HydrophobicContact CB-CH2 3.6Å; L200-W216 HydrophobicContact CB-CZ2 3.92Å; L200-W216 HydrophobicContact CB-CZ3 4.47Å; L200-W216 HydrophobicContact CD1-CH2 4.08Å; L200-W216 HydrophobicContact CD1-CZ3 4.3Å; L200-W216 HydrophobicContact CG-CH2 4.49Å; C202-W216 HydrophobicContact CB-CZ2 3.72Å; W216-Q223 HydrophobicContact CB-CB 4.21Å; W216-Q223 PolarHBondContact O-N 2.97Å; W216-A244 VanDerWaalsContact NE1-C 3.35Å; W216-A244 PolarHBondContact NE1-O 3.27Å; W216-V246 HydrophobicContact CD2-CB 4.35Å; W216-V246 HydrophobicContact CD2-CG1 3.57Å; W216-V246 HydrophobicContact CE3-CG1 3.84Å; W216-V246 HydrophobicContact CG-CB 4.2Å; W216-V246 HydrophobicContact CG-CG1 3.93Å; W216-V246 HydrophobicContact CH2-CG1 4.25Å; W216-V246 HydrophobicContact CZ2-CG1 4.04Å; W216-V246 HydrophobicContact CZ3-CG1 4.18Å; W216-T257 WeakPolarHBondContact CA-O 3.34Å; W216-C258 HydrophobicContact CD2-CB 4.21Å; W216-C258 HydrophobicContact CE3-CB 4.18Å; W216-C258 HydrophobicContact CH2-CB 4.18Å; W216-C258 HydrophobicContact CZ2-CB 4.18Å; W216-C258 HydrophobicContact CZ3-CB 4.15Å |
| 217 | Q | 96.6 | Very high | 94.1 | Very high | 43 Ų | 43 | 59.9 Ų | 59.9 | 20% | 0.201 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 146.5 | 171.6 | -68.3 | -173.8 | -9.9 | 0 | 0 | 110.2 | E221 D222 Y256 T257 H259 | Q217-E221 CarbonylContact C-O 3.58Å; Q217-E221 VanDerWaalsContact CA-O 3.24Å; Q217-E221 WeakPolarHBondContact CA-O 3.31Å; Q217-D222 VanDerWaalsContact CG-OD1 3.26Å; Q217-D222 WeakPolarHBondContact CG-OD1 3.16Å; Q217-D222 PolarHBondContact NE2-OD1 2.78Å; Q217-Y256 CarbonylContact O-C 3.56Å; Q217-Y256 VanDerWaalsContact O-CA 3.28Å; Q217-Y256 WeakPolarHBondContact O-CA 3.39Å; Q217-T257 PolarHBondContact N-O 2.88Å; Q217-T257 PolarHBondContact O-N 3.15Å; Q217-H259 PolarHBondContact OE1-NE2 3.45Å |
| 218 | R | 95.8 | Very high | 94 | Very high | 78 Ų | 78 | 65.2 Ų | 65.2 | 29% | 0.294 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 116.3 | 168.6 | -177.7 | -179.1 | 68.1 | -164.1 | -3.7 | 108.4 | G220 E221 Q223 R255 Y256 | R218-G220 PolarHBondContact O-N 3.08Å; R218-E221 PolarHBondContact N-O 2.83Å; R218-E221 PolarHBondContact O-N 2.93Å; R218-Q223 HydrophobicContact CB-CG 3.96Å; R218-R255 WeakPolarHBondContact CA-O 3.35Å; R218-R255 HydrophobicContact CG-CB 4.28Å; R218-Y256 HydrophobicContact CB-CD1 4.11Å; R218-Y256 HydrophobicContact CB-CE1 3.95Å; R218-Y256 WeakPolarHBondContact CD-OH 3.36Å; R218-Y256 HydrophobicContact CG-CD1 4.47Å; R218-Y256 HydrophobicContact CG-CE1 4.13Å; R218-Y256 HydrophobicContact CG-CE2 4.24Å |
| 219 | D | 93.3 | Very high | 94 | Very high | 102 Ų | 102 | 69.3 Ų | 69.3 | 55% | 0.545 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.9 | 29.7 | -174.9 | -56.3 | -42.8 | 0 | 0 | 0 | 114.2 | R255 | D219-R255 PolarHBondContact N-O 3.45Å; D219-R255 IonicContact OD1-NE 3.11Å; D219-R255 IonicContact OD2-CZ 3.64Å; D219-R255 IonicContact OD2-NE 3.67Å; D219-R255 PolarHBondContact OD2-NE 2.91Å; D219-R255 IonicContact OD2-NH2 2.74Å; D219-R255 PolarHBondContact OD2-NH2 3.03Å |
| 220 | G | 90.1 | Very high | 94 | Very high | 50 Ų | 50 | 69.9 Ų | 69.9 | 52% | 0.515 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92 | -2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | R218 | R218-G220 PolarHBondContact O-N 3.08Š|
| 221 | E | 94.3 | Very high | 94 | Very high | 129 Ų | 129 | 77.2 Ų | 77.2 | 60% | 0.603 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 127.8 | 175 | -63.6 | -175.3 | 166.2 | 0 | 0 | 111.7 | Q217 R218 Q223 | Q217-E221 CarbonylContact C-O 3.58Å; Q217-E221 VanDerWaalsContact CA-O 3.24Å; Q217-E221 WeakPolarHBondContact CA-O 3.31Å; R218-E221 PolarHBondContact N-O 2.83Å; R218-E221 PolarHBondContact O-N 2.93Å; E221-Q223 PolarHBondContact O-NE2 2.81Å |
| 222 | D | 94.3 | Very high | 94 | Very high | 99 Ų | 99 | 72.4 Ų | 72.4 | 53% | 0.529 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 135.6 | -179.7 | -68.2 | -27.1 | 0 | 0 | 0 | 112.5 | Q217 | Q217-D222 VanDerWaalsContact CG-OD1 3.26Å; Q217-D222 WeakPolarHBondContact CG-OD1 3.16Å; Q217-D222 PolarHBondContact NE2-OD1 2.78Å |
| 223 | Q | 93.4 | Very high | 94 | Very high | 15 Ų | 15 | 76.5 Ų | 76.5 | 7% | 0.07 | 40% | 0.398 | C | S | . | . | trans | -108.4 | 35.7 | -177.5 | -58.1 | -59.1 | -68.1 | 0 | 0 | 112.6 | W216 R218 E221 Q225 D226 T227 Y256 | W216-Q223 HydrophobicContact CB-CB 4.21Å; W216-Q223 PolarHBondContact O-N 2.97Å; R218-Q223 HydrophobicContact CB-CG 3.96Å; E221-Q223 PolarHBondContact O-NE2 2.81Å; Q223-Q225 VanDerWaalsContact C-N 3.31Å; Q223-Q225 PolarHBondContact O-N 3.12Å; Q223-D226 PolarHBondContact O-N 3.11Å; Q223-T227 WeakPolarHBondContact O-CB 3.4Å; Q223-T227 PolarHBondContact O-N 3.24Å; Q223-T227 VanDerWaalsContact O-N 3.14Å; Q223-T227 PolarHBondContact O-OG1 3.26Å; Q223-Y256 HydrophobicContact CG-CE1 4.42Å | ||
| 224 | T | 85.8 | Confident | 93.9 | Very high | 108 Ų | 108 | 78.2 Ų | 78.2 | 66% | 0.663 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -35.3 | -168.8 | -44.1 | 0 | 0 | 0 | 0 | 114.2 | ||
| 225 | Q | 86.2 | Confident | 93.9 | Very high | 190 Ų | 190 | 80.2 Ų | 80.2 | 89% | 0.888 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -32.2 | -178.9 | -67.5 | -173.9 | 6.1 | 0 | 0 | 113.1 | Q223 T227 | Q223-Q225 VanDerWaalsContact C-N 3.31Å; Q223-Q225 PolarHBondContact O-N 3.12Å; Q225-T227 VanDerWaalsContact C-N 3.32Å |
| 226 | D | 84.4 | Confident | 93.7 | Very high | 113 Ų | 113 | 82 Ų | 82 | 60% | 0.604 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | 2.4 | -178.2 | -57.2 | -49.7 | 0 | 0 | 0 | 112.3 | Q223 | Q223-D226 PolarHBondContact O-N 3.11Š|
| 227 | T | 92.6 | Very high | 93.5 | Very high | 23 Ų | 23 | 87.3 Ų | 87.3 | 14% | 0.141 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 121.1 | -179.8 | -63.9 | 0 | 0 | 0 | 0 | 110.9 | Q223 Q225 L229 A244 A245 | Q223-T227 WeakPolarHBondContact O-CB 3.4Å; Q223-T227 PolarHBondContact O-N 3.24Å; Q223-T227 VanDerWaalsContact O-N 3.14Å; Q223-T227 PolarHBondContact O-OG1 3.26Å; Q225-T227 VanDerWaalsContact C-N 3.32Å; T227-L229 HydrophobicContact CG2-CB 4.33Å; T227-L229 PolarHBondContact O-N 3.25Å; T227-A244 HydrophobicContact CG2-CB 4.01Å; T227-A245 CarbonylContact C-O 3.52Å; T227-A245 VanDerWaalsContact CA-O 3.31Å; T227-A245 WeakPolarHBondContact CA-O 3.34Å |
| 228 | E | 95.4 | Very high | 93.2 | Very high | 113 Ų | 113 | 87 Ų | 87 | 53% | 0.528 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 105.1 | 163 | -173.1 | -174.7 | -171.5 | 0 | 0 | 109 | W243 A244 A245 | E228-W243 HydrophobicContact CB-CZ3 4.25Å; E228-W243 HydrophobicContact CG-CH2 3.9Å; E228-W243 HydrophobicContact CG-CZ3 3.85Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.48Å; E228-A244 CarbonylContact O-C 3.54Å; E228-A244 WeakPolarHBondContact O-CA 3.48Å; E228-A245 HydrophobicContact CB-CB 4.39Å; E228-A245 PolarHBondContact N-O 3.24Å; E228-A245 PolarHBondContact O-N 3.1Å |
| 229 | L | 95.8 | Very high | 93.3 | Very high | 89 Ų | 89 | 84.1 Ų | 84.1 | 47% | 0.466 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 120 | 178.1 | -175.2 | 67.8 | 0 | 0 | 0 | 110 | L214 T227 A244 | L214-L229 HydrophobicContact CB-CD1 4.09Å; T227-L229 HydrophobicContact CG2-CB 4.33Å; T227-L229 PolarHBondContact O-N 3.25Å; L229-A244 HydrophobicContact CD1-CB 3.63Å |
| 230 | V | 96.1 | Very high | 93.5 | Very high | 35 Ų | 35 | 80.5 Ų | 80.5 | 21% | 0.212 | 46% | 0.461 | C | S | . | . | P | Polyproline II helix | trans | -84.7 | 153.1 | 174.4 | -64.7 | 0 | 0 | 0 | 0 | 112.2 | K242 W243 | V230-K242 HydrophobicContact CG2-CG 4.43Å; V230-K242 VanDerWaalsContact O-CE 3.29Å; V230-K242 WeakPolarHBondContact O-CE 3.46Å; V230-K242 WeakPolarHBondContact O-CG 3.35Å; V230-K242 PolarHBondContact O-NZ 2.71Å; V230-W243 HydrophobicContact CB-CD2 4.5Å; V230-W243 HydrophobicContact CB-CZ2 4.38Å; V230-W243 HydrophobicContact CG1-CD2 3.98Å; V230-W243 HydrophobicContact CG1-CE3 4.29Å; V230-W243 HydrophobicContact CG1-CH2 3.57Å; V230-W243 HydrophobicContact CG1-CZ2 3.17Å; V230-W243 HydrophobicContact CG1-CZ3 4.1Å; V230-W243 HydrophobicContact CG2-CD2 3.74Å; V230-W243 HydrophobicContact CG2-CE3 4.47Å; V230-W243 HydrophobicContact CG2-CG 3.73Å; V230-W243 HydrophobicContact CG2-CZ2 4.37Å; V230-W243 WeakPolarHBondContact CG2-O 3.34Å; V230-W243 PolarHBondContact N-O 3.32Å |
| 231 | E | 96.3 | Very high | 93.9 | Very high | 169 Ų | 169 | 80.1 Ų | 80.1 | 79% | 0.79 | 45% | 0.446 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 150 | 167.3 | -66.8 | -173.4 | 159.5 | 0 | 0 | 111.3 | R233 | E231-R233 PolarHBondContact O-N 3.18Š|
| 232 | T | 97.6 | Very high | 94.1 | Very high | 46 Ų | 46 | 75 Ų | 75 | 28% | 0.282 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 130 | 174.5 | -56.5 | 0 | 0 | 0 | 0 | 108.5 | F207 A210 F240 K242 | F207-T232 HydrophobicContact CE2-CG2 4.08Å; F207-T232 HydrophobicContact CZ-CG2 3.89Å; A210-T232 HydrophobicContact CB-CG2 4.28Å; A210-T232 WeakPolarHBondContact O-CG2 3.36Å; T232-F240 HydrophobicContact CG2-CB 3.77Å; T232-F240 HydrophobicContact CG2-CD1 3.94Å; T232-F240 HydrophobicContact CG2-CG 4.12Å; T232-K242 WeakPolarHBondContact OG1-CD 3.18Å; T232-K242 PolarHBondContact OG1-NZ 2.69Å |
| 233 | R | 96.9 | Very high | 94.3 | Very high | 98 Ų | 98 | 71.5 Ų | 71.5 | 37% | 0.37 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 145.3 | -175.1 | 69.4 | -167.6 | -178.9 | -175.6 | 4.3 | 111.4 | E231 F240 Q241 | E231-R233 PolarHBondContact O-N 3.18Å; R233-F240 WeakPolarHBondContact O-CA 3.37Å; R233-Q241 HydrophobicContact CG-CG 3.58Å; R233-Q241 PolarHBondContact N-O 3.37Å; R233-Q241 WeakPolarHBondContact O-CG 3.33Å; R233-Q241 PolarHBondContact O-N 3.05Å |
| 234 | P | 96.8 | Very high | 94.5 | Very high | 93 Ų | 93 | 70.8 Ų | 70.8 | 60% | 0.604 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 145.3 | 177.6 | 28.3 | -34.3 | 0 | 0 | 0 | 111.1 | F240 | P234-F240 HydrophobicContact CB-CE1 4.3Å |
| 235 | A | 96.3 | Very high | 95 | Very high | 49 Ų | 49 | 65.7 Ų | 65.7 | 41% | 0.405 | 37% | 0.367 | S | S | . | . | trans | -88.2 | -17.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | D237 T239 Q241 | A235-D237 WeakPolarHBondContact CB-OD1 3.25Å; A235-T239 WeakPolarHBondContact CB-O 3.03Å; A235-T239 PolarHBondContact N-O 3.23Å; A235-Q241 HydrophobicContact CB-CG 4.5Å | ||
| 236 | G | 93.1 | Very high | 95.5 | Very high | 78 Ų | 78 | 56.8 Ų | 56.8 | 80% | 0.804 | 33% | 0.326 | S | S | * | . | S | Bend | trans | 97.2 | -7.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 237 | D | 92.4 | Very high | 96.1 | Very high | 113 Ų | 113 | 54.8 Ų | 54.8 | 60% | 0.604 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -106 | 14.2 | 176.6 | 62 | -1.1 | 0 | 0 | 0 | 112.9 | A235 T239 | A235-D237 WeakPolarHBondContact CB-OD1 3.25Å; D237-T239 WeakPolarHBondContact OD1-CB 3.06Å; D237-T239 PolarHBondContact OD1-N 3.34Å; D237-T239 PolarHBondContact OD1-OG1 3.01Å |
| 238 | G | 91.4 | Very high | 96.2 | Very high | 38 Ų | 38 | 53.7 Ų | 53.7 | 39% | 0.392 | 31% | 0.311 | S | S | . | . | S | Bend | trans | 84 | 5.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y208 | Y208-G238 WeakPolarHBondContact CD2-O 3.32Š|
| 239 | T | 96.6 | Very high | 96.2 | Very high | 17 Ų | 17 | 50.6 Ų | 50.6 | 10% | 0.104 | 30% | 0.3 | C | S | . | . | trans | -108.8 | 172.3 | 171.4 | 73.8 | 0 | 0 | 0 | 0 | 112.1 | F207 A235 D237 | F207-T239 WeakPolarHBondContact O-CA 3.21Å; A235-T239 WeakPolarHBondContact CB-O 3.03Å; A235-T239 PolarHBondContact N-O 3.23Å; D237-T239 WeakPolarHBondContact OD1-CB 3.06Å; D237-T239 PolarHBondContact OD1-N 3.34Å; D237-T239 PolarHBondContact OD1-OG1 3.01Å | ||
| 240 | F | 98 | Very high | 95.9 | Very high | 25 Ų | 25 | 49.1 Ų | 49.1 | 11% | 0.11 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 162.4 | -177.4 | -63.4 | -85 | 0 | 0 | 0 | 112.4 | D29 G206 F207 Y208 A210 T232 R233 P234 | D29-F240 HydrophobicContact CB-CE2 3.84Å; D29-F240 HydrophobicContact CB-CZ 3.58Å; G206-F240 PolarHBondContact N-O 3.05Å; F207-F240 VanDerWaalsContact CD1-O 3.31Å; F207-F240 WeakPolarHBondContact CD1-O 3.33Å; F207-F240 HydrophobicContact CD2-CB 3.95Å; F207-F240 HydrophobicContact CE1-CB 4.27Å; F207-F240 WeakPolarHBondContact CE1-O 3.44Å; F207-F240 HydrophobicContact CE2-CB 3.49Å; F207-F240 VanDerWaalsContact CE2-CB 3.49Å; F207-F240 HydrophobicContact CE2-CG 4.49Å; F207-F240 HydrophobicContact CG-CB 4.49Å; F207-F240 HydrophobicContact CZ-CB 3.65Å; F207-F240 PolarHBondContact N-O 3.01Å; F207-F240 PolarHBondContact O-N 3.4Å; Y208-F240 HydrophobicContact CD2-CD2 4.37Å; Y208-F240 AromaticContact CD2-CE2 3.91Å; Y208-F240 HydrophobicContact CD2-CE2 3.91Å; Y208-F240 HydrophobicContact CE2-CE2 4.32Å; A210-F240 HydrophobicContact CB-CD1 3.72Å; A210-F240 HydrophobicContact CB-CD2 3.74Å; A210-F240 HydrophobicContact CB-CE1 3.7Å; A210-F240 HydrophobicContact CB-CE2 3.73Å; A210-F240 HydrophobicContact CB-CG 3.76Å; A210-F240 HydrophobicContact CB-CZ 3.74Å; T232-F240 HydrophobicContact CG2-CB 3.77Å; T232-F240 HydrophobicContact CG2-CD1 3.94Å; T232-F240 HydrophobicContact CG2-CG 4.12Å; R233-F240 WeakPolarHBondContact O-CA 3.37Å; P234-F240 HydrophobicContact CB-CE1 4.3Å |
| 241 | Q | 98.1 | Very high | 95.5 | Very high | 43 Ų | 43 | 50.6 Ų | 50.6 | 20% | 0.201 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 146.3 | 174.8 | 41.6 | 166 | -19.2 | 0 | 0 | 110 | A204 L205 R233 A235 | A204-Q241 VanDerWaalsContact O-CA 3.3Å; A204-Q241 WeakPolarHBondContact O-CA 3.4Å; L205-Q241 HydrophobicContact CD2-CB 3.54Å; R233-Q241 HydrophobicContact CG-CG 3.58Å; R233-Q241 PolarHBondContact N-O 3.37Å; R233-Q241 WeakPolarHBondContact O-CG 3.33Å; R233-Q241 PolarHBondContact O-N 3.05Å; A235-Q241 HydrophobicContact CB-CG 4.5Å |
| 242 | K | 98.4 | Very high | 95.4 | Very high | 22 Ų | 22 | 45.5 Ų | 45.5 | 10% | 0.096 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 154 | 176.9 | -162.3 | -176.2 | -172.5 | 70.2 | 0 | 109 | A204 F207 I212 L214 V230 T232 | A204-K242 PolarHBondContact N-O 2.87Å; A204-K242 PolarHBondContact O-N 3.19Å; A204-K242 VanDerWaalsContact O-O 3.08Å; F207-K242 HydrophobicContact CE1-CB 4.36Å; F207-K242 HydrophobicContact CZ-CB 4.11Å; I212-K242 HydrophobicContact CG2-CB 4.21Å; I212-K242 HydrophobicContact CG2-CD 3.56Å; L214-K242 HydrophobicContact CD1-CD 4.24Å; L214-K242 HydrophobicContact CD2-CB 4.31Å; L214-K242 HydrophobicContact CD2-CD 4.45Å; L214-K242 HydrophobicContact CD2-CG 4.33Å; V230-K242 HydrophobicContact CG2-CG 4.43Å; V230-K242 VanDerWaalsContact O-CE 3.29Å; V230-K242 WeakPolarHBondContact O-CE 3.46Å; V230-K242 WeakPolarHBondContact O-CG 3.35Å; V230-K242 PolarHBondContact O-NZ 2.71Å; T232-K242 WeakPolarHBondContact OG1-CD 3.18Å; T232-K242 PolarHBondContact OG1-NZ 2.69Å |
| 243 | W | 97.9 | Very high | 95.1 | Very high | 24 Ų | 24 | 44.3 Ų | 44.3 | 9% | 0.091 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 157.2 | 169.8 | 59.1 | -97.6 | 0 | 0 | 0 | 111.4 | R201 C202 W203 E228 V230 A245 | R201-W243 HydrophobicContact CG-CB 4.04Å; R201-W243 HydrophobicContact CG-CD2 4.13Å; R201-W243 HydrophobicContact CG-CE3 3.85Å; R201-W243 HydrophobicContact CG-CG 4.27Å; C202-W243 CarbonylContact O-C 3.52Å; C202-W243 WeakPolarHBondContact O-CA 3.19Å; C202-W243 VanDerWaalsContact O-CB 3.23Å; C202-W243 WeakPolarHBondContact O-CB 2.98Å; W203-W243 HydrophobicContact CD2-CB 3.91Å; W203-W243 HydrophobicContact CD2-CG 4.41Å; W203-W243 HydrophobicContact CE3-CB 3.8Å; W203-W243 AromaticContact CE3-CD1 3.8Å; W203-W243 HydrophobicContact CE3-CG 4.09Å; W203-W243 HydrophobicContact CG-CB 4.34Å; W203-W243 AromaticContact CH2-CD1 3.66Å; W203-W243 HydrophobicContact CH2-CG 4.23Å; W203-W243 HydrophobicContact CZ3-CB 4.24Å; W203-W243 AromaticContact CZ3-CD1 3.34Å; W203-W243 HydrophobicContact CZ3-CG 4.01Å; E228-W243 HydrophobicContact CB-CZ3 4.25Å; E228-W243 HydrophobicContact CG-CH2 3.9Å; E228-W243 HydrophobicContact CG-CZ3 3.85Å; E228-W243 WeakPolarHBondContact OE1-CH2 3.48Å; V230-W243 HydrophobicContact CB-CD2 4.5Å; V230-W243 HydrophobicContact CB-CZ2 4.38Å; V230-W243 HydrophobicContact CG1-CD2 3.98Å; V230-W243 HydrophobicContact CG1-CE3 4.29Å; V230-W243 HydrophobicContact CG1-CH2 3.57Å; V230-W243 HydrophobicContact CG1-CZ2 3.17Å; V230-W243 HydrophobicContact CG1-CZ3 4.1Å; V230-W243 HydrophobicContact CG2-CD2 3.74Å; V230-W243 HydrophobicContact CG2-CE3 4.47Å; V230-W243 HydrophobicContact CG2-CG 3.73Å; V230-W243 HydrophobicContact CG2-CZ2 4.37Å; V230-W243 WeakPolarHBondContact CG2-O 3.34Å; V230-W243 PolarHBondContact N-O 3.32Å; W243-A245 HydrophobicContact CE3-CB 3.98Å; W243-A245 HydrophobicContact CZ3-CB 3.68Å |
| 244 | A | 97.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 132.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | R201 C202 L214 W216 T227 E228 L229 | R201-A244 WeakPolarHBondContact CA-O 3.3Å; C202-A244 PolarHBondContact N-O 3.47Å; C202-A244 PolarHBondContact O-N 3.03Å; L214-A244 HydrophobicContact CB-CB 4.05Å; L214-A244 HydrophobicContact CD2-CB 4.28Å; W216-A244 VanDerWaalsContact NE1-C 3.35Å; W216-A244 PolarHBondContact NE1-O 3.27Å; T227-A244 HydrophobicContact CG2-CB 4.01Å; E228-A244 CarbonylContact O-C 3.54Å; E228-A244 WeakPolarHBondContact O-CA 3.48Å; L229-A244 HydrophobicContact CD1-CB 3.63Å |
| 245 | A | 97.1 | Very high | 94.8 | Very high | 2 Ų | 2 | 44.1 Ų | 44.1 | 2% | 0.017 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 147.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | T199 L200 R201 T227 E228 W243 | T199-A245 HydrophobicContact CG2-CB 3.83Å; L200-A245 CarbonylContact O-C 3.54Å; L200-A245 WeakPolarHBondContact O-CA 3.45Å; R201-A245 HydrophobicContact CB-CB 3.93Å; R201-A245 HydrophobicContact CG-CB 4.09Å; T227-A245 CarbonylContact C-O 3.52Å; T227-A245 VanDerWaalsContact CA-O 3.31Å; T227-A245 WeakPolarHBondContact CA-O 3.34Å; E228-A245 HydrophobicContact CB-CB 4.39Å; E228-A245 PolarHBondContact N-O 3.24Å; E228-A245 PolarHBondContact O-N 3.1Å; W243-A245 HydrophobicContact CE3-CB 3.98Å; W243-A245 HydrophobicContact CZ3-CB 3.68Å |
| 246 | V | 96.9 | Very high | 94.7 | Very high | 3 Ų | 3 | 42.1 Ų | 42.1 | 2% | 0.018 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 142.8 | 176.5 | 62.7 | 0 | 0 | 0 | 0 | 108.9 | T199 L200 W216 V248 Y256 | T199-V246 WeakPolarHBondContact CA-O 3.18Å; L200-V246 HydrophobicContact CB-CG1 4.3Å; L200-V246 PolarHBondContact N-O 2.84Å; L200-V246 PolarHBondContact O-N 3.45Å; W216-V246 HydrophobicContact CD2-CB 4.35Å; W216-V246 HydrophobicContact CD2-CG1 3.57Å; W216-V246 HydrophobicContact CE3-CG1 3.84Å; W216-V246 HydrophobicContact CG-CB 4.2Å; W216-V246 HydrophobicContact CG-CG1 3.93Å; W216-V246 HydrophobicContact CH2-CG1 4.25Å; W216-V246 HydrophobicContact CZ2-CG1 4.04Å; W216-V246 HydrophobicContact CZ3-CG1 4.18Å; V246-V248 HydrophobicContact CG1-CG1 3.77Å; V246-V248 HydrophobicContact CG2-CG1 4.45Å; V246-Y256 HydrophobicContact CG1-CD1 4.05Å; V246-Y256 HydrophobicContact CG2-CD1 4.31Å; V246-Y256 HydrophobicContact CG2-CE1 4.08Å |
| 247 | V | 96.3 | Very high | 94.9 | Very high | 71 Ų | 71 | 38.9 Ų | 38.9 | 43% | 0.43 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 127.4 | 171.2 | 179.9 | 0 | 0 | 0 | 0 | 108 | I193 E197 A198 | I193-V247 HydrophobicContact CD1-CG1 4.07Å; I193-V247 HydrophobicContact CD1-CG2 4.13Å; E197-V247 HydrophobicContact CB-CG1 4.16Å; E197-V247 HydrophobicContact CG-CG1 4.37Å; A198-V247 WeakPolarHBondContact O-CA 3.48Å |
| 248 | V | 95.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 142.9 | -176.8 | -53.8 | 0 | 0 | 0 | 0 | 110.5 | E197 A198 L200 V246 E253 Y256 | E197-V248 WeakPolarHBondContact CA-O 3.41Å; A198-V248 PolarHBondContact N-O 3.27Å; A198-V248 WeakPolarHBondContact O-CG2 3.33Å; A198-V248 PolarHBondContact O-N 2.96Å; L200-V248 HydrophobicContact CD1-CG1 3.98Å; L200-V248 HydrophobicContact CD1-CG2 3.98Å; L200-V248 HydrophobicContact CG-CG1 4.26Å; L200-V248 HydrophobicContact CG-CG2 3.84Å; V246-V248 HydrophobicContact CG1-CG1 3.77Å; V246-V248 HydrophobicContact CG2-CG1 4.45Å; V248-E253 HydrophobicContact CG2-CG 3.92Å; V248-Y256 HydrophobicContact CB-CD2 3.95Å; V248-Y256 HydrophobicContact CB-CE2 3.68Å; V248-Y256 HydrophobicContact CG1-CD1 3.7Å; V248-Y256 HydrophobicContact CG1-CD2 3.51Å; V248-Y256 HydrophobicContact CG1-CE1 3.71Å; V248-Y256 HydrophobicContact CG1-CE2 3.54Å; V248-Y256 HydrophobicContact CG1-CG 3.6Å |
| 249 | P | 94.8 | Very high | 95.4 | Very high | 48 Ų | 48 | 33.2 Ų | 33.2 | 31% | 0.312 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 141.2 | 169.4 | -20.6 | 32.5 | 0 | 0 | 0 | 111.1 | H196 G251 E252 | H196-P249 CarbonylContact O-C 3.58Å; H196-P249 WeakPolarHBondContact O-CA 3.42Å; P249-G251 PolarHBondContact O-N 3.41Å; P249-E252 HydrophobicContact CB-CB 4.31Å; P249-E252 HydrophobicContact CB-CG 4.12Å; P249-E252 WeakPolarHBondContact O-CB 3.41Å; P249-E252 PolarHBondContact O-N 2.98Å |
| 250 | S | 90.2 | Very high | 95.4 | Very high | 57 Ų | 57 | 32.4 Ų | 32.4 | 40% | 0.399 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | 128.3 | 176.6 | -63.6 | 0 | 0 | 0 | 0 | 111.1 | H196 E197 E253 | H196-S250 PolarHBondContact O-N 3.26Å; H196-S250 PolarHBondContact O-OG 2.87Å; E197-S250 PolarHBondContact N-OG 3.12Å; S250-E253 WeakPolarHBondContact CA-OE1 3.04Å |
| 251 | G | 88.6 | Confident | 95.4 | Very high | 67 Ų | 67 | 36 Ų | 36 | 69% | 0.691 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 90.3 | -8.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | P249 E253 | P249-G251 PolarHBondContact O-N 3.41Å; G251-E253 WeakPolarHBondContact CA-OE2 3.33Å; G251-E253 VanDerWaalsContact N-CD 3.32Å; G251-E253 PolarHBondContact N-OE1 2.71Å; G251-E253 PolarHBondContact N-OE2 2.84Å |
| 252 | E | 92.8 | Very high | 95.4 | Very high | 61 Ų | 61 | 34.7 Ų | 34.7 | 29% | 0.285 | 19% | 0.191 | S | C | . | . | trans | -98.6 | 3.5 | 175.9 | -65 | -162.5 | -161.2 | 0 | 0 | 113.5 | P249 Q254 R255 Y256 | P249-E252 HydrophobicContact CB-CB 4.31Å; P249-E252 HydrophobicContact CB-CG 4.12Å; P249-E252 WeakPolarHBondContact O-CB 3.41Å; P249-E252 PolarHBondContact O-N 2.98Å; E252-Q254 PolarHBondContact O-N 2.89Å; E252-R255 VanDerWaalsContact CD-NH1 3.35Å; E252-R255 WeakPolarHBondContact O-CB 3.05Å; E252-R255 PolarHBondContact O-N 3.02Å; E252-R255 IonicContact OE1-NH1 3.84Å; E252-R255 IonicContact OE2-CZ 2.7Å; E252-R255 IonicContact OE2-NH1 3.38Å; E252-R255 PolarHBondContact OE2-NH1 3.29Å; E252-Y256 HydrophobicContact CB-CE2 4.22Å; E252-Y256 VanDerWaalsContact O-CD2 3.31Å; E252-Y256 WeakPolarHBondContact O-CD2 3.28Å | ||
| 253 | E | 92.3 | Very high | 95.3 | Very high | 21 Ų | 21 | 41 Ų | 41 | 10% | 0.098 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -55.8 | -33.7 | -171.8 | -59.2 | 80.9 | -178.9 | 0 | 0 | 112.8 | H190 L200 V248 S250 G251 R255 Y256 W273 | H190-E253 IonicContact NE2-OE1 3.71Å; L200-E253 HydrophobicContact CD1-CB 4.02Å; L200-E253 HydrophobicContact CD1-CG 4.37Å; L200-E253 HydrophobicContact CD2-CG 4.42Å; V248-E253 HydrophobicContact CG2-CG 3.92Å; S250-E253 WeakPolarHBondContact CA-OE1 3.04Å; G251-E253 WeakPolarHBondContact CA-OE2 3.33Å; G251-E253 VanDerWaalsContact N-CD 3.32Å; G251-E253 PolarHBondContact N-OE1 2.71Å; G251-E253 PolarHBondContact N-OE2 2.84Å; E253-R255 VanDerWaalsContact C-N 3.27Å; E253-R255 PolarHBondContact O-N 3.48Å; E253-Y256 PolarHBondContact O-N 3.27Å; E253-W273 HydrophobicContact CB-CB 4.26Å; E253-W273 HydrophobicContact CB-CG 4.21Å |
| 254 | Q | 91.6 | Very high | 95.1 | Very high | 90 Ų | 90 | 40.7 Ų | 40.7 | 42% | 0.421 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -68.9 | -21.6 | 179.7 | -66.4 | -61.4 | -36 | 0 | 0 | 114 | E252 W273 | E252-Q254 PolarHBondContact O-N 2.89Å; Q254-W273 PolarHBondContact NE2-O 3.24Å; Q254-W273 PolarHBondContact OE1-O 2.04Å |
| 255 | R | 94.4 | Very high | 95 | Very high | 98 Ų | 98 | 41.8 Ų | 41.8 | 37% | 0.37 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -75.7 | -18.8 | 177.3 | -61.8 | 175.1 | 67.6 | -174.9 | 6.8 | 111.8 | R218 D219 E252 E253 | R218-R255 WeakPolarHBondContact CA-O 3.35Å; R218-R255 HydrophobicContact CG-CB 4.28Å; D219-R255 PolarHBondContact N-O 3.45Å; D219-R255 IonicContact OD1-NE 3.11Å; D219-R255 IonicContact OD2-CZ 3.64Å; D219-R255 IonicContact OD2-NE 3.67Å; D219-R255 PolarHBondContact OD2-NE 2.91Å; D219-R255 IonicContact OD2-NH2 2.74Å; D219-R255 PolarHBondContact OD2-NH2 3.03Å; E252-R255 VanDerWaalsContact CD-NH1 3.35Å; E252-R255 WeakPolarHBondContact O-CB 3.05Å; E252-R255 PolarHBondContact O-N 3.02Å; E252-R255 IonicContact OE1-NH1 3.84Å; E252-R255 IonicContact OE2-CZ 2.7Å; E252-R255 IonicContact OE2-NH1 3.38Å; E252-R255 PolarHBondContact OE2-NH1 3.29Å; E253-R255 VanDerWaalsContact C-N 3.27Å; E253-R255 PolarHBondContact O-N 3.48Å |
| 256 | Y | 95.4 | Very high | 95 | Very high | 6 Ų | 6 | 48.1 Ų | 48.1 | 2% | 0.024 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 130.4 | -178.4 | -66.8 | -99.1 | 0 | 0 | 0 | 111 | Q217 R218 Q223 V246 V248 E252 E253 | Q217-Y256 CarbonylContact O-C 3.56Å; Q217-Y256 VanDerWaalsContact O-CA 3.28Å; Q217-Y256 WeakPolarHBondContact O-CA 3.39Å; R218-Y256 HydrophobicContact CB-CD1 4.11Å; R218-Y256 HydrophobicContact CB-CE1 3.95Å; R218-Y256 WeakPolarHBondContact CD-OH 3.36Å; R218-Y256 HydrophobicContact CG-CD1 4.47Å; R218-Y256 HydrophobicContact CG-CE1 4.13Å; R218-Y256 HydrophobicContact CG-CE2 4.24Å; Q223-Y256 HydrophobicContact CG-CE1 4.42Å; V246-Y256 HydrophobicContact CG1-CD1 4.05Å; V246-Y256 HydrophobicContact CG2-CD1 4.31Å; V246-Y256 HydrophobicContact CG2-CE1 4.08Å; V248-Y256 HydrophobicContact CB-CD2 3.95Å; V248-Y256 HydrophobicContact CB-CE2 3.68Å; V248-Y256 HydrophobicContact CG1-CD1 3.7Å; V248-Y256 HydrophobicContact CG1-CD2 3.51Å; V248-Y256 HydrophobicContact CG1-CE1 3.71Å; V248-Y256 HydrophobicContact CG1-CE2 3.54Å; V248-Y256 HydrophobicContact CG1-CG 3.6Å; E252-Y256 HydrophobicContact CB-CE2 4.22Å; E252-Y256 VanDerWaalsContact O-CD2 3.31Å; E252-Y256 WeakPolarHBondContact O-CD2 3.28Å; E253-Y256 PolarHBondContact O-N 3.27Å |
| 257 | T | 96.6 | Very high | 94.9 | Very high | 10 Ų | 10 | 55.7 Ų | 55.7 | 6% | 0.061 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 133.4 | 178.4 | 59.4 | 0 | 0 | 0 | 0 | 110.4 | W216 Q217 H259 T270 L271 R272 | W216-T257 WeakPolarHBondContact CA-O 3.34Å; Q217-T257 PolarHBondContact N-O 2.88Å; Q217-T257 PolarHBondContact O-N 3.15Å; T257-H259 PolarHBondContact OG1-NE2 3.47Å; T257-T270 HydrophobicContact CG2-CG2 4.35Å; T257-L271 CarbonylContact C-O 3.54Å; T257-L271 WeakPolarHBondContact CA-O 3.34Å; T257-R272 HydrophobicContact CG2-CG 3.76Å; T257-R272 VanDerWaalsContact CG2-NE 3.31Å |
| 258 | C | 97.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 126.4 | 172.2 | 174.2 | 0 | 0 | 0 | 0 | 109.5 | M188 C202 T215 W216 T270 L271 | M188-C258 HydrophobicContact CE-CB 3.45Å; M188-C258 VanDerWaalsContact CE-CB 3.45Å; C202-C258 HydrophobicContact CB-CB 3.54Å; C202-C258 WeakPolarHBondContact CB-SG 3.48Å; C202-C258 WeakPolarHBondContact SG-CB 3.25Å; C202-C258 CovalentContact SG-SG 2.04Å; C202-C258 PolarHBondContact SG-SG 2.86Å; T215-C258 CarbonylContact O-C 3.59Å; T215-C258 WeakPolarHBondContact O-CA 3.48Å; W216-C258 HydrophobicContact CD2-CB 4.21Å; W216-C258 HydrophobicContact CE3-CB 4.18Å; W216-C258 HydrophobicContact CH2-CB 4.18Å; W216-C258 HydrophobicContact CZ2-CB 4.18Å; W216-C258 HydrophobicContact CZ3-CB 4.15Å; C258-T270 CarbonylContact O-C 3.59Å; C258-T270 WeakPolarHBondContact O-CA 3.44Å; C258-L271 HydrophobicContact CB-CB 4.28Å; C258-L271 PolarHBondContact N-O 2.9Å; C258-L271 PolarHBondContact O-N 3.15Å |
| 259 | H | 97.1 | Very high | 95 | Very high | 33 Ų | 33 | 59.1 Ų | 59.1 | 15% | 0.153 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 127.3 | 177.3 | -61.8 | -99.6 | 0 | 0 | 0 | 109.9 | L214 T215 Q217 T257 L269 T270 | L214-H259 WeakPolarHBondContact CA-O 3.4Å; T215-H259 PolarHBondContact N-O 2.79Å; T215-H259 PolarHBondContact O-N 3.38Å; T215-H259 WeakPolarHBondContact OG1-CB 3.45Å; Q217-H259 PolarHBondContact OE1-NE2 3.45Å; T257-H259 PolarHBondContact OG1-NE2 3.47Å; H259-L269 WeakPolarHBondContact CA-O 3.36Å; H259-T270 PolarHBondContact CE1-OG1 3.39Å; H259-T270 PolarHBondContact ND1-OG1 2.9Å |
| 260 | V | 97.9 | Very high | 95 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 120.3 | -178.5 | -175.3 | 0 | 0 | 0 | 0 | 109 | P184 T186 I212 T213 L214 L265 P268 L269 L271 | P184-V260 HydrophobicContact CG-CG1 3.96Å; T186-V260 HydrophobicContact CG2-CB 4.48Å; T186-V260 HydrophobicContact CG2-CG1 4.26Å; T186-V260 HydrophobicContact CG2-CG2 4.09Å; I212-V260 HydrophobicContact CD1-CG1 3.96Å; I212-V260 HydrophobicContact CG1-CG1 4.29Å; T213-V260 WeakPolarHBondContact O-CA 3.4Å; L214-V260 HydrophobicContact CD1-CG1 4.05Å; L214-V260 HydrophobicContact CD1-CG2 4.48Å; L214-V260 HydrophobicContact CG-CG2 4.29Å; V260-L265 HydrophobicContact CG1-CD1 4.2Å; V260-P268 WeakPolarHBondContact O-CA 3.46Å; V260-L269 HydrophobicContact CB-CB 4.34Å; V260-L269 PolarHBondContact N-O 3.31Å; V260-L269 PolarHBondContact O-N 3.04Å; V260-L271 HydrophobicContact CG2-CD1 3.71Å |
| 261 | Q | 98.1 | Very high | 95.2 | Very high | 100 Ų | 100 | 59.2 Ų | 59.2 | 47% | 0.467 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 128.9 | 174.1 | -50.6 | -177.3 | 23.4 | 0 | 0 | 109.2 | I212 T213 P268 | I212-Q261 VanDerWaalsContact CG1-O 3.31Å; I212-Q261 WeakPolarHBondContact CG1-O 3.18Å; T213-Q261 PolarHBondContact N-O 3.08Å; T213-Q261 PolarHBondContact O-N 3.14Å; Q261-P268 HydrophobicContact CG-CB 4.08Å; Q261-P268 HydrophobicContact CG-CG 4.15Å |
| 262 | H | 97.6 | Very high | 95.4 | Very high | 16 Ų | 16 | 63.5 Ų | 63.5 | 7% | 0.074 | 32% | 0.316 | C | S | . | . | trans | -154.7 | 145.1 | -179.4 | -175.6 | -101.3 | 0 | 0 | 0 | 108.3 | D182 P184 F207 Y208 P209 E211 I212 G264 L265 | D182-H262 PolarHBondContact O-CE1 3.44Å; P184-H262 HydrophobicContact CG-CB 4.16Å; F207-H262 AromaticContact CD2-CD2 3.83Å; F207-H262 AromaticContact CD2-NE2 3.64Å; Y208-H262 PolarHBondContact O-CE1 3.05Å; P209-H262 PolarHBondContact O-NE2 3.16Å; E211-H262 PolarHBondContact O-CD2 2.85Å; E211-H262 VanDerWaalsContact O-CD2 3.27Å; I212-H262 HydrophobicContact CD1-CB 4.29Å; I212-H262 HydrophobicContact CG1-CB 4.06Å; H262-G264 PolarHBondContact ND1-N 3.39Å; H262-G264 PolarHBondContact O-N 3.07Å; H262-L265 HydrophobicContact CB-CD1 3.97Å; H262-L265 HydrophobicContact CB-CG 4.16Å; H262-L265 WeakPolarHBondContact O-CB 3.36Å; H262-L265 PolarHBondContact O-N 3.29Å | ||
| 263 | E | 94.9 | Very high | 95.3 | Very high | 153 Ų | 153 | 63.1 Ų | 63.1 | 72% | 0.715 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -32.8 | -179.2 | -175.1 | 174.7 | 164.2 | 0 | 0 | 112.6 | T181 L265 | T181-E263 HydrophobicContact CG2-CB 4.07Å; T181-E263 HydrophobicContact CG2-CG 4.18Å; E263-L265 PolarHBondContact O-N 3.21Å |
| 264 | G | 94.5 | Very high | 94.6 | Very high | 19 Ų | 19 | 69.2 Ų | 69.2 | 20% | 0.196 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -7.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | H262 | H262-G264 PolarHBondContact ND1-N 3.39Å; H262-G264 PolarHBondContact O-N 3.07Å |
| 265 | L | 96.8 | Very high | 93.2 | Very high | 23 Ų | 23 | 71.3 Ų | 71.3 | 12% | 0.12 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -98.2 | 126.9 | 177.2 | -64.7 | 170.6 | 0 | 0 | 0 | 109.7 | P183 P184 V260 H262 E263 K267 L269 | P183-L265 HydrophobicContact CB-CD2 3.89Å; P184-L265 HydrophobicContact CG-CD1 3.86Å; P184-L265 HydrophobicContact CG-CD2 4.44Å; P184-L265 HydrophobicContact CG-CG 4.23Å; V260-L265 HydrophobicContact CG1-CD1 4.2Å; H262-L265 HydrophobicContact CB-CD1 3.97Å; H262-L265 HydrophobicContact CB-CG 4.16Å; H262-L265 WeakPolarHBondContact O-CB 3.36Å; H262-L265 PolarHBondContact O-N 3.29Å; E263-L265 PolarHBondContact O-N 3.21Å; L265-K267 WeakPolarHBondContact CB-O 3.49Å; L265-K267 PolarHBondContact O-N 2.98Å; L265-L269 HydrophobicContact CD1-CB 4.41Å; L265-L269 HydrophobicContact CD1-CD1 3.82Å; L265-L269 HydrophobicContact CD1-CG 3.81Å; L265-L269 HydrophobicContact CD2-CD1 3.57Å; L265-L269 HydrophobicContact CD2-CG 3.91Å; L265-L269 HydrophobicContact CG-CD1 4.35Å; L265-L269 HydrophobicContact CG-CG 4.43Å |
| 266 | P | 95.3 | Very high | 90.9 | Very high | 134 Ų | 134 | 71.1 Ų | 71.1 | 87% | 0.87 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -65.6 | -24.3 | 178.2 | 27.2 | -34.9 | 0 | 0 | 0 | 112.5 | ||
| 267 | K | 95.9 | Very high | 88.3 | Confident | 162 Ų | 162 | 76 Ų | 76 | 70% | 0.704 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -146.3 | 151 | 173.7 | -64.4 | -176.1 | -178.1 | 178 | 0 | 109.1 | L265 L269 | L265-K267 WeakPolarHBondContact CB-O 3.49Å; L265-K267 PolarHBondContact O-N 2.98Å; K267-L269 PolarHBondContact O-N 2.95Å |
| 268 | P | 96.3 | Very high | 85.6 | Confident | 81 Ų | 81 | 84 Ų | 84 | 53% | 0.526 | 44% | 0.439 | S | S | . | . | trans | -50.9 | 135.2 | 171.7 | -28.4 | 36.5 | 0 | 0 | 0 | 112.1 | V260 Q261 | V260-P268 WeakPolarHBondContact O-CA 3.46Å; Q261-P268 HydrophobicContact CG-CB 4.08Å; Q261-P268 HydrophobicContact CG-CG 4.15Å | ||
| 269 | L | 96.3 | Very high | 82.8 | Confident | 63 Ų | 63 | 89.1 Ų | 89.1 | 33% | 0.33 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 141.1 | 173.6 | -68.2 | 176.6 | 0 | 0 | 0 | 109.7 | T186 H259 V260 L265 K267 | T186-L269 HydrophobicContact CG2-CD1 4.32Å; H259-L269 WeakPolarHBondContact CA-O 3.36Å; V260-L269 HydrophobicContact CB-CB 4.34Å; V260-L269 PolarHBondContact N-O 3.31Å; V260-L269 PolarHBondContact O-N 3.04Å; L265-L269 HydrophobicContact CD1-CB 4.41Å; L265-L269 HydrophobicContact CD1-CD1 3.82Å; L265-L269 HydrophobicContact CD1-CG 3.81Å; L265-L269 HydrophobicContact CD2-CD1 3.57Å; L265-L269 HydrophobicContact CD2-CG 3.91Å; L265-L269 HydrophobicContact CG-CD1 4.35Å; L265-L269 HydrophobicContact CG-CG 4.43Å; K267-L269 PolarHBondContact O-N 2.95Å |
| 270 | T | 96.3 | Very high | 80.5 | Confident | 77 Ų | 77 | 93.8 Ų | 93.8 | 47% | 0.472 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 115.3 | 171.6 | -56.5 | 0 | 0 | 0 | 0 | 108 | T257 C258 H259 | T257-T270 HydrophobicContact CG2-CG2 4.35Å; C258-T270 CarbonylContact O-C 3.59Å; C258-T270 WeakPolarHBondContact O-CA 3.44Å; H259-T270 PolarHBondContact CE1-OG1 3.39Å; H259-T270 PolarHBondContact ND1-OG1 2.9Å |
| 271 | L | 94.5 | Very high | 78.3 | Confident | 30 Ų | 30 | 98.7 Ų | 98.7 | 16% | 0.157 | 53% | 0.529 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 138.1 | 177.5 | -65.1 | 117.6 | 0 | 0 | 0 | 109.5 | T186 M188 T257 C258 V260 | T186-L271 HydrophobicContact CG2-CD1 4.1Å; M188-L271 HydrophobicContact CE-CB 3.78Å; M188-L271 WeakPolarHBondContact CE-O 3.15Å; M188-L271 HydrophobicContact CG-CB 4.43Å; M188-L271 HydrophobicContact SD-CB 4.4Å; T257-L271 CarbonylContact C-O 3.54Å; T257-L271 WeakPolarHBondContact CA-O 3.34Å; C258-L271 HydrophobicContact CB-CB 4.28Å; C258-L271 PolarHBondContact N-O 2.9Å; C258-L271 PolarHBondContact O-N 3.15Å; V260-L271 HydrophobicContact CG2-CD1 3.71Å |
| 272 | R | 92.3 | Very high | 76.1 | Confident | 156 Ų | 156 | 98.3 Ų | 98.3 | 59% | 0.589 | 54% | 0.535 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 151.7 | 168.1 | -63.4 | -163.5 | 170 | 156.7 | -3.4 | 108.7 | T257 E274 | T257-R272 HydrophobicContact CG2-CG 3.76Å; T257-R272 VanDerWaalsContact CG2-NE 3.31Å; R272-E274 PolarHBondContact O-N 3.38Å |
| 273 | W | 89.3 | Confident | 74.2 | Confident | 53 Ų | 53 | 103.1 Ų | 103.1 | 20% | 0.201 | 56% | 0.56 | C | S | . | * | trans | -65.3 | 120 | 170.5 | 176.5 | -118.7 | 0 | 0 | 0 | 108.1 | M188 H190 L200 E253 Q254 | M188-W273 HydrophobicContact CB-CE3 3.87Å; M188-W273 HydrophobicContact CB-CZ3 4.22Å; M188-W273 HydrophobicContact SD-CB 4.15Å; M188-W273 PolarHBondContact SD-N 3.07Å; H190-W273 HydrophobicContact CB-CD2 4.23Å; H190-W273 HydrophobicContact CB-CE3 4.18Å; H190-W273 HydrophobicContact CB-CH2 3.35Å; H190-W273 HydrophobicContact CB-CZ2 3.36Å; H190-W273 HydrophobicContact CB-CZ3 3.78Å; H190-W273 AromaticContact CG-CZ2 3.92Å; L200-W273 HydrophobicContact CD1-CB 4.27Å; L200-W273 HydrophobicContact CD2-CB 4.09Å; L200-W273 HydrophobicContact CD2-CD2 4Å; L200-W273 HydrophobicContact CD2-CE3 4.24Å; L200-W273 HydrophobicContact CD2-CG 3.93Å; E253-W273 HydrophobicContact CB-CB 4.26Å; E253-W273 HydrophobicContact CB-CG 4.21Å; Q254-W273 PolarHBondContact NE2-O 3.24Å; Q254-W273 PolarHBondContact OE1-O 2.04Å | ||
| 274 | E | 79.3 | Confident | 72.4 | Confident | 150 Ų | 150 | 101.5 Ų | 101.5 | 70% | 0.701 | 56% | 0.56 | S | S | * | * | trans | -97.8 | 125.9 | 170.6 | -72.7 | -174.5 | 176.5 | 0 | 0 | 108.4 | R272 S276 | R272-E274 PolarHBondContact O-N 3.38Å; E274-S276 PolarHBondContact O-N 3.33Å | ||
| 275 | L | 61.5 | Low | 70.6 | Confident | 134 Ų | 134 | 102.8 Ų | 102.8 | 70% | 0.702 | 57% | 0.574 | S | S | * | * | trans | -66.5 | 8.3 | 179.8 | -101 | 94.9 | 0 | 0 | 0 | 114.3 | ||||
| 276 | S | 45.5 | Very low | 69.1 | Low | 94 Ų | 94 | 106.2 Ų | 106.2 | 66% | 0.657 | 59% | 0.591 | S | S | * | * | trans | -108.2 | 100.8 | -167.9 | -168.9 | 0 | 0 | 0 | 0 | 112.9 | E274 | E274-S276 PolarHBondContact O-N 3.33Š| ||
| 277 | S | 41.3 | Very low | 67.8 | Low | 109 Ų | 109 | 104.4 Ų | 104.4 | 76% | 0.762 | 57% | 0.573 | S | S | * | * | trans | 162.5 | 54.5 | 131.6 | 51.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 278 | Q | 40.3 | Very low | 66.5 | Low | 176 Ų | 176 | 99 Ų | 99 | 82% | 0.822 | 56% | 0.559 | S | S | * | * | trans | -83 | 116.3 | 135.2 | -82.6 | -171.7 | -10.2 | 0 | 0 | 106 | T280 | Q278-T280 VanDerWaalsContact C-N 3.26Å; Q278-T280 PolarHBondContact O-N 3.46Å | ||
| 279 | P | 38.8 | Very low | 65.4 | Low | 108 Ų | 108 | 96.6 Ų | 96.6 | 70% | 0.701 | 55% | 0.549 | S | S | * | . | trans | -64.5 | 101.2 | 163.2 | 27 | -27.7 | 0 | 0 | 0 | 105.4 | I281 | P279-I281 HydrophobicContact CB-CG1 4.4Å; P279-I281 PolarHBondContact O-N 3.01Å | ||
| 280 | T | 48.3 | Very low | 64.5 | Low | 131 Ų | 131 | 99 Ų | 99 | 80% | 0.804 | 56% | 0.561 | S | S | * | * | trans | -64.4 | 79.3 | 154.2 | 5.9 | 0 | 0 | 0 | 0 | 105.3 | Q278 P282 | Q278-T280 VanDerWaalsContact C-N 3.26Å; Q278-T280 PolarHBondContact O-N 3.46Å; T280-P282 WeakPolarHBondContact O-CD 3.4Å | ||
| 281 | I | 52 | Low | 63.6 | Low | 104 Ų | 104 | 100 Ų | 100 | 53% | 0.533 | 57% | 0.567 | S | S | . | * | trans | -48.6 | 120.9 | 159.7 | -63 | 173.9 | 0 | 0 | 0 | 103.5 | P279 I283 I286 | P279-I281 HydrophobicContact CB-CG1 4.4Å; P279-I281 PolarHBondContact O-N 3.01Å; I281-I283 PolarHBondContact O-N 2.94Å; I281-I286 HydrophobicContact CG2-CD1 3.84Å | ||
| 282 | P | 51.4 | Low | 62.7 | Low | 92 Ų | 92 | 104.2 Ų | 104.2 | 60% | 0.597 | 59% | 0.589 | S | S | * | * | trans | -72 | 83.1 | -178.7 | 28.9 | -32.2 | 0 | 0 | 0 | 106.8 | T280 V284 G285 I286 | T280-P282 WeakPolarHBondContact O-CD 3.4Å; P282-V284 PolarHBondContact O-N 3.32Å; P282-V284 VanDerWaalsContact O-N 3.07Å; P282-G285 PolarHBondContact O-N 3.47Å; P282-I286 PolarHBondContact O-N 3.43Å | ||
| 283 | I | 58.3 | Low | 61.9 | Low | 116 Ų | 116 | 101.9 Ų | 101.9 | 60% | 0.595 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -53.5 | -31.3 | 177.7 | -68 | 169 | 0 | 0 | 0 | 109 | I281 G285 I286 I287 | I281-I283 PolarHBondContact O-N 2.94Å; I283-G285 PolarHBondContact O-N 2.95Å; I283-I286 PolarHBondContact O-N 2.8Å; I283-I287 HydrophobicContact CG2-CD1 3.67Å; I283-I287 HydrophobicContact CG2-CG1 4.26Å; I283-I287 VanDerWaalsContact O-CG1 3.27Å; I283-I287 WeakPolarHBondContact O-CG1 3.21Å; I283-I287 PolarHBondContact O-N 3.4Å |
| 284 | V | 55.3 | Low | 61.2 | Low | 119 Ų | 119 | 101.1 Ų | 101.1 | 72% | 0.721 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -61.8 | -39.9 | 174.6 | -174.8 | 0 | 0 | 0 | 0 | 112.8 | P282 A288 | P282-V284 PolarHBondContact O-N 3.32Å; P282-V284 VanDerWaalsContact O-N 3.07Å; V284-A288 WeakPolarHBondContact O-CB 2.99Å; V284-A288 PolarHBondContact O-N 3.15Å |
| 285 | G | 58.1 | Low | 61.1 | Low | 47 Ų | 47 | 96.7 Ų | 96.7 | 49% | 0.485 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -69.5 | -36.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | P282 I283 G289 | P282-G285 PolarHBondContact O-N 3.47Å; I283-G285 PolarHBondContact O-N 2.95Å; G285-G289 PolarHBondContact O-N 2.97Å |
| 286 | I | 65.8 | Low | 61.9 | Low | 95 Ų | 95 | 95.2 Ų | 95.2 | 49% | 0.487 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -71.4 | -42.6 | 176.8 | -60.9 | 175.1 | 0 | 0 | 0 | 110.5 | I281 P282 I283 G289 L290 | I281-I286 HydrophobicContact CG2-CD1 3.84Å; P282-I286 PolarHBondContact O-N 3.43Å; I283-I286 PolarHBondContact O-N 2.8Å; I286-G289 PolarHBondContact O-N 2.73Å; I286-L290 HydrophobicContact CG2-CD1 3.91Å; I286-L290 HydrophobicContact CG2-CG 4.42Å; I286-L290 WeakPolarHBondContact O-CB 3.41Å; I286-L290 WeakPolarHBondContact O-CG 3.35Å; I286-L290 PolarHBondContact O-N 3.38Å |
| 287 | I | 67.8 | Low | 63.4 | Low | 96 Ų | 96 | 95.7 Ų | 95.7 | 49% | 0.492 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -63.9 | -46.3 | 176.4 | -67.5 | 171.1 | 0 | 0 | 0 | 110.6 | I283 G289 L290 V291 | I283-I287 HydrophobicContact CG2-CD1 3.67Å; I283-I287 HydrophobicContact CG2-CG1 4.26Å; I283-I287 VanDerWaalsContact O-CG1 3.27Å; I283-I287 WeakPolarHBondContact O-CG1 3.21Å; I283-I287 PolarHBondContact O-N 3.4Å; I287-G289 VanDerWaalsContact C-N 3.33Å; I287-G289 PolarHBondContact O-N 3.11Å; I287-L290 PolarHBondContact O-N 2.9Å; I287-V291 HydrophobicContact CG2-CG2 4.28Å; I287-V291 WeakPolarHBondContact O-CB 3.44Å; I287-V291 VanDerWaalsContact O-CG2 3.25Å; I287-V291 WeakPolarHBondContact O-CG2 3.48Å; I287-V291 PolarHBondContact O-N 3.35Å |
| 288 | A | 67.9 | Low | 64.9 | Low | 49 Ų | 49 | 94.8 Ų | 94.8 | 41% | 0.405 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -60.9 | -42.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | V284 V291 L292 | V284-A288 WeakPolarHBondContact O-CB 2.99Å; V284-A288 PolarHBondContact O-N 3.15Å; A288-V291 PolarHBondContact O-N 3.14Å; A288-L292 WeakPolarHBondContact O-CB 3.38Å; A288-L292 VanDerWaalsContact O-CG 3.3Å; A288-L292 WeakPolarHBondContact O-CG 3.34Å; A288-L292 PolarHBondContact O-N 3.26Å |
| 289 | G | 72.3 | Confident | 66.6 | Low | 30 Ų | 30 | 88.3 Ų | 88.3 | 31% | 0.309 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.5 | -44.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | G285 I286 I287 L292 L293 | G285-G289 PolarHBondContact O-N 2.97Å; I286-G289 PolarHBondContact O-N 2.73Å; I287-G289 VanDerWaalsContact C-N 3.33Å; I287-G289 PolarHBondContact O-N 3.11Å; G289-L292 PolarHBondContact O-N 2.91Å; G289-L293 WeakPolarHBondContact O-CB 3.34Å; G289-L293 PolarHBondContact O-N 3.01Å |
| 290 | L | 78.6 | Confident | 68.3 | Low | 114 Ų | 114 | 86.1 Ų | 86.1 | 60% | 0.597 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -67.3 | -38.8 | 177.7 | -74.9 | 170.3 | 0 | 0 | 0 | 112.6 | I286 I287 G294 | I286-L290 HydrophobicContact CG2-CD1 3.91Å; I286-L290 HydrophobicContact CG2-CG 4.42Å; I286-L290 WeakPolarHBondContact O-CB 3.41Å; I286-L290 WeakPolarHBondContact O-CG 3.35Å; I286-L290 PolarHBondContact O-N 3.38Å; I287-L290 PolarHBondContact O-N 2.9Å; L290-G294 PolarHBondContact O-N 3.04Å |
| 291 | V | 77.1 | Confident | 69.6 | Low | 96 Ų | 96 | 83.9 Ų | 83.9 | 58% | 0.582 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.5 | -42.9 | 175.9 | 171.2 | 0 | 0 | 0 | 0 | 110.8 | I287 A288 G294 A295 | I287-V291 HydrophobicContact CG2-CG2 4.28Å; I287-V291 WeakPolarHBondContact O-CB 3.44Å; I287-V291 VanDerWaalsContact O-CG2 3.25Å; I287-V291 WeakPolarHBondContact O-CG2 3.48Å; I287-V291 PolarHBondContact O-N 3.35Å; A288-V291 PolarHBondContact O-N 3.14Å; V291-G294 PolarHBondContact O-N 3.22Å; V291-A295 WeakPolarHBondContact O-CB 3.38Å; V291-A295 PolarHBondContact O-N 3.41Å |
| 292 | L | 75.2 | Confident | 70.7 | Confident | 120 Ų | 120 | 83 Ų | 83 | 63% | 0.628 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.6 | -44.9 | 176.6 | -74.6 | 168.7 | 0 | 0 | 0 | 111.9 | A288 G289 A295 V296 | A288-L292 WeakPolarHBondContact O-CB 3.38Å; A288-L292 VanDerWaalsContact O-CG 3.3Å; A288-L292 WeakPolarHBondContact O-CG 3.34Å; A288-L292 PolarHBondContact O-N 3.26Å; G289-L292 PolarHBondContact O-N 2.91Å; L292-A295 PolarHBondContact O-N 3.38Å; L292-V296 VanDerWaalsContact O-CG2 3.3Å; L292-V296 WeakPolarHBondContact O-CG2 3.39Å; L292-V296 PolarHBondContact O-N 3.21Å |
| 293 | L | 75 | Confident | 71.7 | Confident | 107 Ų | 107 | 81.3 Ų | 81.3 | 56% | 0.56 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.6 | -44.2 | 175.3 | -84.9 | 158.8 | 0 | 0 | 0 | 111.7 | G289 A295 V296 I297 | G289-L293 WeakPolarHBondContact O-CB 3.34Å; G289-L293 PolarHBondContact O-N 3.01Å; L293-A295 PolarHBondContact O-N 3.28Å; L293-V296 PolarHBondContact O-N 2.99Å; L293-I297 VanDerWaalsContact O-CG1 3.25Å; L293-I297 WeakPolarHBondContact O-CG1 3.4Å; L293-I297 PolarHBondContact O-N 3.27Å |
| 294 | G | 75.6 | Confident | 72.3 | Confident | 36 Ų | 36 | 78.5 Ų | 78.5 | 37% | 0.371 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -57.2 | -48.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L290 V291 V296 I297 T298 | L290-G294 PolarHBondContact O-N 3.04Å; V291-G294 PolarHBondContact O-N 3.22Å; G294-V296 PolarHBondContact O-N 3.32Å; G294-I297 PolarHBondContact O-N 3.03Å; G294-T298 PolarHBondContact O-N 3.46Å; G294-T298 PolarHBondContact O-OG1 3.13Å |
| 295 | A | 76.9 | Confident | 73.2 | Confident | 58 Ų | 58 | 76.6 Ų | 76.6 | 48% | 0.479 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.6 | -44.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112.6 | V291 L292 L293 T298 G299 | V291-A295 WeakPolarHBondContact O-CB 3.38Å; V291-A295 PolarHBondContact O-N 3.41Å; L292-A295 PolarHBondContact O-N 3.38Å; L293-A295 PolarHBondContact O-N 3.28Å; A295-T298 WeakPolarHBondContact CA-OG1 3.46Å; A295-T298 PolarHBondContact O-N 3.21Å; A295-T298 PolarHBondContact O-OG1 3.48Å; A295-G299 PolarHBondContact O-N 2.82Å |
| 296 | V | 79.1 | Confident | 73.8 | Confident | 102 Ų | 102 | 80.6 Ų | 80.6 | 62% | 0.618 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63 | -43.9 | 177.7 | 172.1 | 0 | 0 | 0 | 0 | 111.2 | L292 L293 G294 G299 A300 | L292-V296 VanDerWaalsContact O-CG2 3.3Å; L292-V296 WeakPolarHBondContact O-CG2 3.39Å; L292-V296 PolarHBondContact O-N 3.21Å; L293-V296 PolarHBondContact O-N 2.99Å; G294-V296 PolarHBondContact O-N 3.32Å; V296-G299 PolarHBondContact O-N 3.45Å; V296-A300 WeakPolarHBondContact O-CB 3.45Å; V296-A300 PolarHBondContact O-N 3.47Å |
| 297 | I | 76.8 | Confident | 74 | Confident | 105 Ų | 105 | 85.8 Ų | 85.8 | 54% | 0.538 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.4 | -46.6 | 178.5 | -66.8 | 167.8 | 0 | 0 | 0 | 110.3 | L293 G294 G299 A300 V301 | L293-I297 VanDerWaalsContact O-CG1 3.25Å; L293-I297 WeakPolarHBondContact O-CG1 3.4Å; L293-I297 PolarHBondContact O-N 3.27Å; G294-I297 PolarHBondContact O-N 3.03Å; I297-G299 VanDerWaalsContact C-N 3.33Å; I297-G299 PolarHBondContact O-N 2.99Å; I297-A300 PolarHBondContact O-N 2.88Å; I297-V301 HydrophobicContact CG2-CG2 4.39Å; I297-V301 VanDerWaalsContact O-CG2 3.29Å; I297-V301 WeakPolarHBondContact O-CG2 3.46Å; I297-V301 PolarHBondContact O-N 3.37Å |
| 298 | T | 73.3 | Confident | 73.8 | Confident | 89 Ų | 89 | 90.7 Ų | 90.7 | 55% | 0.546 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.2 | -41.2 | 175.2 | 35.6 | 0 | 0 | 0 | 0 | 112.4 | G294 A295 V301 V302 | G294-T298 PolarHBondContact O-N 3.46Å; G294-T298 PolarHBondContact O-OG1 3.13Å; A295-T298 WeakPolarHBondContact CA-OG1 3.46Å; A295-T298 PolarHBondContact O-N 3.21Å; A295-T298 PolarHBondContact O-OG1 3.48Å; T298-V301 PolarHBondContact O-N 3.14Å; T298-V302 WeakPolarHBondContact O-CB 3.48Å; T298-V302 VanDerWaalsContact O-CG2 3.25Å; T298-V302 WeakPolarHBondContact O-CG2 3.38Å; T298-V302 PolarHBondContact O-N 3.06Å |
| 299 | G | 74.2 | Confident | 73.3 | Confident | 41 Ų | 41 | 97.7 Ų | 97.7 | 42% | 0.423 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.6 | -44.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | A295 V296 I297 V302 A303 | A295-G299 PolarHBondContact O-N 2.82Å; V296-G299 PolarHBondContact O-N 3.45Å; I297-G299 VanDerWaalsContact C-N 3.33Å; I297-G299 PolarHBondContact O-N 2.99Å; G299-V302 PolarHBondContact O-N 3.08Å; G299-A303 WeakPolarHBondContact O-CB 3.32Å; G299-A303 PolarHBondContact O-N 2.86Å |
| 300 | A | 75.1 | Confident | 72.5 | Confident | 62 Ų | 62 | 104.7 Ų | 104.7 | 51% | 0.512 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -65.1 | -41.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | V296 I297 A303 A304 | V296-A300 WeakPolarHBondContact O-CB 3.45Å; V296-A300 PolarHBondContact O-N 3.47Å; I297-A300 PolarHBondContact O-N 2.88Å; A300-A303 PolarHBondContact O-N 3.21Å; A300-A304 VanDerWaalsContact O-CB 3.28Å; A300-A304 WeakPolarHBondContact O-CB 3.24Å; A300-A304 PolarHBondContact O-N 3.16Å |
| 301 | V | 76.7 | Confident | 71.2 | Confident | 84 Ų | 84 | 102.6 Ų | 102.6 | 51% | 0.509 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.3 | -45.2 | 176.7 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | I297 T298 A303 A304 V305 | I297-V301 HydrophobicContact CG2-CG2 4.39Å; I297-V301 VanDerWaalsContact O-CG2 3.29Å; I297-V301 WeakPolarHBondContact O-CG2 3.46Å; I297-V301 PolarHBondContact O-N 3.37Å; T298-V301 PolarHBondContact O-N 3.14Å; V301-A303 PolarHBondContact O-N 3.47Å; V301-A304 PolarHBondContact O-N 2.87Å; V301-V305 HydrophobicContact CG1-CG2 4.33Å; V301-V305 WeakPolarHBondContact O-CB 3.5Å; V301-V305 VanDerWaalsContact O-CG2 3.26Å; V301-V305 WeakPolarHBondContact O-CG2 3.5Å; V301-V305 PolarHBondContact O-N 3.42Å |
| 302 | V | 74.6 | Confident | 69.9 | Low | 85 Ų | 85 | 102.5 Ų | 102.5 | 52% | 0.515 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62.2 | -44.7 | 177 | 172.4 | 0 | 0 | 0 | 0 | 110.8 | T298 G299 A304 V305 M306 | T298-V302 WeakPolarHBondContact O-CB 3.48Å; T298-V302 VanDerWaalsContact O-CG2 3.25Å; T298-V302 WeakPolarHBondContact O-CG2 3.38Å; T298-V302 PolarHBondContact O-N 3.06Å; G299-V302 PolarHBondContact O-N 3.08Å; V302-A304 PolarHBondContact O-N 3.16Å; V302-V305 PolarHBondContact O-N 2.8Å; V302-M306 HydrophobicContact CG1-CG 4.49Å; V302-M306 HydrophobicContact CG1-SD 4.19Å; V302-M306 WeakPolarHBondContact O-CB 3.49Å; V302-M306 WeakPolarHBondContact O-CG 3.19Å; V302-M306 PolarHBondContact O-N 3.26Å |
| 303 | A | 71.7 | Confident | 68.6 | Low | 56 Ų | 56 | 104.1 Ų | 104.1 | 46% | 0.463 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -61.5 | -43.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | G299 A300 V301 M306 W307 | G299-A303 WeakPolarHBondContact O-CB 3.32Å; G299-A303 PolarHBondContact O-N 2.86Å; A300-A303 PolarHBondContact O-N 3.21Å; V301-A303 PolarHBondContact O-N 3.47Å; A303-M306 PolarHBondContact O-N 3.22Å; A303-W307 WeakPolarHBondContact O-CB 3.43Å; A303-W307 PolarHBondContact O-N 3.09Å |
| 304 | A | 72.1 | Confident | 67.2 | Low | 57 Ų | 57 | 109.6 Ų | 109.6 | 47% | 0.471 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -66.1 | -39.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A300 V301 V302 W307 R308 | A300-A304 VanDerWaalsContact O-CB 3.28Å; A300-A304 WeakPolarHBondContact O-CB 3.24Å; A300-A304 PolarHBondContact O-N 3.16Å; V301-A304 PolarHBondContact O-N 2.87Å; V302-A304 PolarHBondContact O-N 3.16Å; A304-W307 PolarHBondContact O-N 2.95Å; A304-R308 WeakPolarHBondContact O-CB 3.31Å; A304-R308 PolarHBondContact O-N 3.23Å |
| 305 | V | 72.4 | Confident | 65.4 | Low | 79 Ų | 79 | 118 Ų | 118 | 48% | 0.479 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -67.7 | -41.8 | 176 | 170.8 | 0 | 0 | 0 | 0 | 111 | V301 V302 W307 R308 R309 | V301-V305 HydrophobicContact CG1-CG2 4.33Å; V301-V305 WeakPolarHBondContact O-CB 3.5Å; V301-V305 VanDerWaalsContact O-CG2 3.26Å; V301-V305 WeakPolarHBondContact O-CG2 3.5Å; V301-V305 PolarHBondContact O-N 3.42Å; V302-V305 PolarHBondContact O-N 2.8Å; V305-W307 VanDerWaalsContact C-N 3.34Å; V305-R308 PolarHBondContact O-N 3.04Å; V305-R309 PolarHBondContact O-N 3Å |
| 306 | M | 71.3 | Confident | 63.4 | Low | 131 Ų | 131 | 119.1 Ų | 119.1 | 65% | 0.645 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -63.7 | -39.5 | 173.8 | -73.5 | -176 | 69.1 | 0 | 0 | 111.8 | V302 A303 R309 K310 | V302-M306 HydrophobicContact CG1-CG 4.49Å; V302-M306 HydrophobicContact CG1-SD 4.19Å; V302-M306 WeakPolarHBondContact O-CB 3.49Å; V302-M306 WeakPolarHBondContact O-CG 3.19Å; V302-M306 PolarHBondContact O-N 3.26Å; A303-M306 PolarHBondContact O-N 3.22Å; M306-R309 PolarHBondContact O-N 2.95Å; M306-K310 WeakPolarHBondContact O-CB 3.39Å; M306-K310 PolarHBondContact O-N 3.23Å |
| 307 | W | 69.6 | Low | 61.2 | Low | 204 Ų | 204 | 118.1 Ų | 118.1 | 77% | 0.773 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -64.6 | -43.7 | 174.9 | -159.7 | -60.6 | 0 | 0 | 0 | 111.5 | A303 A304 V305 K310 S311 | A303-W307 WeakPolarHBondContact O-CB 3.43Å; A303-W307 PolarHBondContact O-N 3.09Å; A304-W307 PolarHBondContact O-N 2.95Å; V305-W307 VanDerWaalsContact C-N 3.34Å; W307-K310 PolarHBondContact O-N 3.41Å; W307-S311 PolarHBondContact O-N 2.89Å; W307-S311 PolarHBondContact O-OG 3.46Å |
| 308 | R | 64.2 | Low | 59.1 | Low | 199 Ų | 199 | 118.8 Ų | 118.8 | 75% | 0.751 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -61.5 | -45.5 | 175.1 | -92.7 | -173.6 | 176.6 | 173.3 | 0.4 | 112 | A304 V305 K310 S311 S312 | A304-R308 WeakPolarHBondContact O-CB 3.31Å; A304-R308 PolarHBondContact O-N 3.23Å; V305-R308 PolarHBondContact O-N 3.04Å; R308-K310 VanDerWaalsContact C-N 3.3Å; R308-K310 PolarHBondContact O-N 3.36Å; R308-S311 WeakPolarHBondContact CA-OG 3.42Å; R308-S311 PolarHBondContact O-N 3.07Å; R308-S311 VanDerWaalsContact O-N 3.16Å; R308-S311 PolarHBondContact O-OG 2.99Å; R308-S312 PolarHBondContact O-N 2.69Å; R308-S312 PolarHBondContact O-OG 3.36Å |
| 309 | R | 58.2 | Low | 57.2 | Low | 197 Ų | 197 | 125 Ų | 125 | 74% | 0.743 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -60.7 | -36.1 | 174.8 | -94 | -175.2 | 163.6 | 178.7 | -3.9 | 112.7 | V305 M306 S312 | V305-R309 PolarHBondContact O-N 3Å; M306-R309 PolarHBondContact O-N 2.95Å; R309-S312 PolarHBondContact O-OG 3.18Å |
| 310 | K | 54 | Low | 55.4 | Low | 177 Ų | 177 | 129.3 Ų | 129.3 | 77% | 0.77 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -74.9 | -26.6 | 176.7 | -163.8 | 173.1 | -178.3 | 178.9 | 0 | 113 | M306 W307 R308 | M306-K310 WeakPolarHBondContact O-CB 3.39Å; M306-K310 PolarHBondContact O-N 3.23Å; W307-K310 PolarHBondContact O-N 3.41Å; R308-K310 VanDerWaalsContact C-N 3.3Å; R308-K310 PolarHBondContact O-N 3.36Å |
| 311 | S | 51.7 | Low | 53.4 | Low | 70 Ų | 70 | 135.1 Ų | 135.1 | 49% | 0.49 | 71% | 0.709 | S | S | . | * | H | α-helix | trans | -86 | -21.7 | 177.3 | 63.6 | 0 | 0 | 0 | 0 | 114.7 | W307 R308 D313 | W307-S311 PolarHBondContact O-N 2.89Å; W307-S311 PolarHBondContact O-OG 3.46Å; R308-S311 WeakPolarHBondContact CA-OG 3.42Å; R308-S311 PolarHBondContact O-N 3.07Å; R308-S311 VanDerWaalsContact O-N 3.16Å; R308-S311 PolarHBondContact O-OG 2.99Å; S311-D313 VanDerWaalsContact C-N 3.34Å |
| 312 | S | 51.3 | Low | 51.3 | Low | 94 Ų | 94 | 135.5 Ų | 135.5 | 66% | 0.657 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | -12.6 | 177.5 | 57.6 | 0 | 0 | 0 | 0 | 114.1 | R308 R309 R314 | R308-S312 PolarHBondContact O-N 2.69Å; R308-S312 PolarHBondContact O-OG 3.36Å; R309-S312 PolarHBondContact O-OG 3.18Å; S312-R314 VanDerWaalsContact C-N 3.34Å |
| 313 | D | 46.4 | Very low | 49.4 | Very low | 154 Ų | 154 | 135.8 Ų | 135.8 | 82% | 0.824 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.9 | 5.8 | 179.7 | -126.6 | 10.7 | 0 | 0 | 0 | 113.4 | S311 | S311-D313 VanDerWaalsContact C-N 3.34Š|
| 314 | R | 46.3 | Very low | 47.5 | Very low | 221 Ų | 221 | 138.4 Ų | 138.4 | 83% | 0.834 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -146.5 | 68 | -175.8 | -159.5 | 175.9 | -179.4 | 164.7 | 0.1 | 112.7 | S312 | S312-R314 VanDerWaalsContact C-N 3.34Š|
| 315 | K | 37.8 | Very low | 45.7 | Very low | 213 Ų | 213 | 140.7 Ų | 140.7 | 93% | 0.926 | 76% | 0.759 | S | S | * | * | trans | 179.9 | 90.3 | 144.9 | -102.8 | 165.8 | -179.3 | -175.2 | 0 | 111 | ||||
| 316 | G | 35 | Very low | 44 | Very low | 82 Ų | 82 | 144.2 Ų | 144.2 | 85% | 0.845 | 78% | 0.776 | S | S | * | * | trans | -87.3 | 133.7 | 154.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 317 | G | 32.3 | Very low | 42.5 | Very low | 80 Ų | 80 | 143.5 Ų | 143.5 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | trans | 77.4 | 113.7 | 150.4 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 318 | S | 32.6 | Very low | 41 | Very low | 119 Ų | 119 | 138.3 Ų | 138.3 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | 170.4 | 144.5 | 104.2 | -171.2 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 319 | Y | 34.5 | Very low | 39.8 | Very low | 219 Ų | 219 | 138.5 Ų | 138.5 | 86% | 0.859 | 79% | 0.794 | S | S | * | * | trans | -74.2 | 154.6 | -175.1 | -74.9 | -103.5 | 0 | 0 | 0 | 115.3 | ||||
| 320 | T | 34.7 | Very low | 38.6 | Very low | 133 Ų | 133 | 132.4 Ų | 132.4 | 82% | 0.816 | 79% | 0.792 | S | S | * | * | -179.1 | 113.3 | 129.3 | 28.7 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 321 | Q | 33.5 | Very low | 37.9 | Very low | 183 Ų | 183 | 129.7 Ų | 129.7 | 86% | 0.855 | 80% | 0.795 | S | S | * | * | 80.3 | 100.7 | 85.6 | -163.9 | 167.7 | 1.5 | 0 | 0 | 116.1 | |||||
| 322 | A | 32.4 | Very low | 37.3 | Very low | 92 Ų | 92 | 133.8 Ų | 133.8 | 76% | 0.76 | 81% | 0.812 | S | S | * | * | trans | 39 | 133.4 | 140.7 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 323 | A | 34.5 | Very low | 36.7 | Very low | 92 Ų | 92 | 134.9 Ų | 134.9 | 76% | 0.76 | 81% | 0.814 | S | S | * | * | 177.5 | 142.1 | 95.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 324 | S | 32 | Very low | 36.4 | Very low | 111 Ų | 111 | 132 Ų | 132 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | trans | 47.1 | 135.5 | 132.9 | -170.3 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 325 | S | 35.6 | Very low | 36.1 | Very low | 104 Ų | 104 | 128.3 Ų | 128.3 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | cis | -170.9 | 164 | 24.9 | 24.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 326 | D | 36.2 | Very low | 36.2 | Very low | 154 Ų | 154 | 123.9 Ų | 123.9 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | trans | -40.9 | 153.2 | 170 | -65.1 | -52.4 | 0 | 0 | 0 | 121 | ||||
| 327 | S | 40.4 | Very low | 36.4 | Very low | 115 Ų | 115 | 124.6 Ų | 124.6 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | 158.9 | 117.6 | 121.1 | 39.7 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 328 | A | 37.3 | Very low | 36.6 | Very low | 95 Ų | 95 | 126.5 Ų | 126.5 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | 84.8 | 131.8 | 58.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 329 | Q | 39.6 | Very low | 36.9 | Very low | 204 Ų | 204 | 130.6 Ų | 130.6 | 95% | 0.953 | 79% | 0.793 | S | S | * | * | trans | 93 | 114.9 | -178 | -67.3 | 179 | -25.8 | 0 | 0 | 114.6 | ||||
| 330 | G | 33.2 | Very low | 37.3 | Very low | 69 Ų | 69 | 130 Ų | 130 | 71% | 0.711 | 81% | 0.812 | S | S | * | * | cis | 113.7 | 116 | 17 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 331 | S | 39.3 | Very low | 37.4 | Very low | 120 Ų | 120 | 129.9 Ų | 129.9 | 84% | 0.839 | 81% | 0.812 | S | S | * | * | trans | 166.9 | 97.2 | 144.5 | -69.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 332 | D | 39.3 | Very low | 37.7 | Very low | 156 Ų | 156 | 127.1 Ų | 127.1 | 83% | 0.834 | 81% | 0.81 | S | S | * | * | 4.5 | 150 | 117.3 | -78 | -25 | 0 | 0 | 0 | 117.6 | |||||
| 333 | V | 38 | Very low | 37.9 | Very low | 116 Ų | 116 | 129.1 Ų | 129.1 | 70% | 0.703 | 81% | 0.812 | S | S | * | * | cis | -173.1 | 146.5 | 24.3 | 112.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 334 | S | 39.8 | Very low | 38.1 | Very low | 94 Ų | 94 | 131.2 Ų | 131.2 | 66% | 0.657 | 82% | 0.815 | S | S | * | * | trans | 54.5 | 152.4 | 135.3 | -56.7 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 335 | L | 39.6 | Very low | 38.5 | Very low | 144 Ų | 144 | 132.5 Ų | 132.5 | 75% | 0.754 | 82% | 0.818 | S | S | * | * | cis | -172.3 | 146.8 | 10.9 | -117.8 | 163.5 | 0 | 0 | 0 | 108.6 | ||||
| 336 | T | 40.5 | Very low | 38.7 | Very low | 120 Ų | 120 | 134.4 Ų | 134.4 | 74% | 0.736 | 82% | 0.824 | S | S | * | * | trans | 42.9 | 135.5 | 146.7 | 32.5 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 337 | A | 38.3 | Very low | 38.9 | Very low | 96 Ų | 96 | 133 Ų | 133 | 79% | 0.793 | 82% | 0.824 | S | S | * | * | 179.7 | 143 | 85.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 338 | C | 38.3 | Very low | 38.8 | Very low | 121 Ų | 121 | 134.4 Ų | 134.4 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | trans | -18.4 | 154.1 | 167.3 | -61.4 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 339 | K | 37.5 | Very low | 38.9 | Very low | 205 Ų | 205 | 137.7 Ų | 137.7 | 89% | 0.891 | 83% | 0.829 | S | S | * | * | -158.5 | 137 | 112.8 | -117.4 | 178.1 | 178.3 | 173.4 | 0 | 114.1 | |||||
| 340 | V | 43.5 | Very low | 38.8 | Very low | 207 Ų | 207 | 131.6 Ų | 131.6 | 100% | 1.255 | 82% | 0.817 | S | S | * | * | trans | -71.6 | 0 | 145.1 | 174.8 | 0 | 0 | 0 | 0 | 108 |
Retrieved 340 of 340 residues in 1381.7 ms
(Link to these results)