| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | S | 94.5 | Very high | 98.2 | Very high | 92 Ų | 92 | 36.7 Ų | 36.7 | 64% | 0.643 | 20% | 0.2 | S | C | * | . | 0 | 148.1 | 0 | -54.3 | 0 | 0 | 0 | 0 | 107.6 | V102 P104 | S1-V102 VanDerWaalsContact CA-O 3.23Å; S1-V102 WeakPolarHBondContact CA-O 3.43Å; S1-V102 WeakPolarHBondContact CB-O 3.32Å; S1-P104 WeakPolarHBondContact OG-CD 3.49Å | |||
| 2 | H | 97.8 | Very high | 98.1 | Very high | 48 Ų | 48 | 35.3 Ų | 35.3 | 22% | 0.222 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 161.8 | -178.3 | -66.3 | -78.5 | 0 | 0 | 0 | 110 | D28 D101 V102 L167 L171 | H2-D28 WeakPolarHBondContact CA-OD1 3.47Å; H2-D28 IonicContact CE1-OD2 2.86Å; H2-D28 IonicContact CG-OD2 3.33Å; H2-D28 IonicContact ND1-OD1 3.49Å; H2-D28 IonicContact ND1-OD2 2.69Å; H2-D28 PolarHBondContact ND1-OD2 3.23Å; H2-D101 WeakPolarHBondContact O-CA 3.43Å; H2-V102 HydrophobicContact CB-CG2 4.02Å; H2-V102 PolarHBondContact N-O 2.96Å; H2-V102 PolarHBondContact O-N 3.05Å; H2-L167 HydrophobicContact CB-CD1 4.31Å; H2-L167 HydrophobicContact CB-CD2 4.36Å; H2-L171 HydrophobicContact CB-CD1 3.65Å; H2-L171 HydrophobicContact CB-CD2 4.03Å; H2-L171 HydrophobicContact CB-CG 4.41Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.37Å |
| 3 | S | 98.4 | Very high | 97.9 | Very high | 27 Ų | 27 | 37.6 Ų | 37.6 | 19% | 0.189 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 151.7 | 178.5 | 63.9 | 0 | 0 | 0 | 0 | 111.6 | V27 D28 C100 D101 | S3-V27 CarbonylContact O-C 3.48Å; S3-V27 WeakPolarHBondContact O-CA 3.41Å; S3-D28 PolarHBondContact N-OD1 3.42Å; S3-D28 PolarHBondContact O-N 2.91Å; S3-C100 WeakPolarHBondContact CA-O 3.42Å; S3-D101 VanDerWaalsContact CB-OD1 3.27Å; S3-D101 WeakPolarHBondContact CB-OD1 3.44Å |
| 4 | M | 98.7 | Very high | 97.4 | Very high | 3 Ų | 3 | 38.5 Ų | 38.5 | 2% | 0.015 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 129.9 | 166.6 | -172.4 | 168.6 | 64.4 | 0 | 0 | 108.5 | Y6 Y26 V27 F32 G99 C100 C163 L167 Y170 | M4-Y6 HydrophobicContact CE-CE2 4.27Å; M4-Y6 HydrophobicContact CG-CE2 4.21Å; M4-Y6 HydrophobicContact SD-CE2 4.13Å; M4-Y26 CarbonylContact C-O 3.53Å; M4-Y26 VanDerWaalsContact CA-O 3.3Å; M4-Y26 WeakPolarHBondContact CA-O 3.35Å; M4-V27 HydrophobicContact CG-CG2 4.36Å; M4-F32 HydrophobicContact CG-CE1 4.43Å; M4-F32 HydrophobicContact SD-CZ 4.33Å; M4-G99 CarbonylContact O-C 3.58Å; M4-G99 WeakPolarHBondContact O-CA 3.47Å; M4-C100 PolarHBondContact N-O 3.25Å; M4-C100 PolarHBondContact O-N 2.89Å; M4-C163 HydrophobicContact CE-CB 4.15Å; M4-C163 WeakPolarHBondContact CE-O 3.34Å; M4-C163 VanDerWaalsContact CE-SG 3.51Å; M4-L167 HydrophobicContact CB-CB 4.09Å; M4-L167 HydrophobicContact CB-CD1 4.07Å; M4-L167 HydrophobicContact CB-CD2 4.17Å; M4-L167 HydrophobicContact CB-CG 4.33Å; M4-L167 HydrophobicContact CE-CB 4.45Å; M4-L167 HydrophobicContact SD-CB 4.44Å; M4-Y170 HydrophobicContact SD-CD2 3.71Å; M4-Y170 HydrophobicContact SD-CE2 3.53Å; M4-Y170 VanDerWaalsContact SD-CE2 3.53Å |
| 5 | R | 98.7 | Very high | 96.9 | Very high | 49 Ų | 49 | 41.9 Ų | 41.9 | 19% | 0.185 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 135.9 | -179.2 | -62 | -64.1 | 177.2 | 88.6 | 12 | 111.2 | F7 G25 Y26 M97 Y98 D101 Y112 | R5-F7 HydrophobicContact CB-CD2 4.4Å; R5-F7 HydrophobicContact CB-CE2 3.59Å; R5-F7 HydrophobicContact CB-CZ 3.94Å; R5-G25 CarbonylContact O-C 3.59Å; R5-G25 WeakPolarHBondContact O-CA 3.23Å; R5-Y26 PolarHBondContact N-O 2.83Å; R5-Y26 PolarHBondContact O-N 2.9Å; R5-M97 PolarHBondContact NH1-SD 3.27Å; R5-Y98 WeakPolarHBondContact CA-O 3.44Å; R5-D101 IonicContact CZ-OD1 3.55Å; R5-D101 IonicContact NE-OD1 3.39Å; R5-D101 IonicContact NH2-OD1 3.94Å; R5-D101 PolarHBondContact NH2-OD1 3.43Å; R5-D101 IonicContact NH2-OD2 2.74Å; R5-Y112 PolarHBondContact NH2-OH 3.44Å |
| 6 | Y | 98.8 | Very high | 96.5 | Very high | 6 Ų | 6 | 52.6 Ų | 52.6 | 2% | 0.024 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 140.6 | 167 | -73 | -94.7 | 0 | 0 | 0 | 109.4 | M4 Y8 V24 F32 V33 M97 Y98 | M4-Y6 HydrophobicContact CE-CE2 4.27Å; M4-Y6 HydrophobicContact CG-CE2 4.21Å; M4-Y6 HydrophobicContact SD-CE2 4.13Å; Y6-Y8 HydrophobicContact CD1-CE1 4.31Å; Y6-V24 CarbonylContact C-O 3.52Å; Y6-V24 WeakPolarHBondContact CA-O 3.39Å; Y6-F32 HydrophobicContact CE1-CZ 4.29Å; Y6-F32 HydrophobicContact CE2-CZ 4.39Å; Y6-F32 AromaticContact CZ-CZ 3.8Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.31Å; Y6-V33 HydrophobicContact CE1-CG2 3.93Å; Y6-M97 WeakPolarHBondContact O-CA 3.01Å; Y6-Y98 VanDerWaalsContact CB-CE1 3.5Å; Y6-Y98 VanDerWaalsContact CB-CZ 3.47Å; Y6-Y98 AromaticContact CD2-CE2 3.95Å; Y6-Y98 HydrophobicContact CD2-CE2 3.95Å; Y6-Y98 HydrophobicContact CG-CE1 4.35Å; Y6-Y98 HydrophobicContact CG-CE2 4.23Å; Y6-Y98 AromaticContact CG-CZ 3.82Å; Y6-Y98 PolarHBondContact N-O 2.82Å; Y6-Y98 PolarHBondContact O-N 2.82Å; Y6-Y98 VanDerWaalsContact O-N 3.11Å |
| 7 | F | 98.8 | Very high | 96.2 | Very high | 83 Ų | 83 | 53 Ų | 53 | 36% | 0.364 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 119.2 | 176.4 | -57.6 | -95.7 | 0 | 0 | 0 | 108.9 | R5 A23 V24 Y26 I96 M97 | R5-F7 HydrophobicContact CB-CD2 4.4Å; R5-F7 HydrophobicContact CB-CE2 3.59Å; R5-F7 HydrophobicContact CB-CZ 3.94Å; F7-A23 WeakPolarHBondContact O-CA 3.46Å; F7-V24 HydrophobicContact CB-CG2 3.83Å; F7-V24 HydrophobicContact CD2-CG2 4.28Å; F7-V24 HydrophobicContact CG-CG2 4.49Å; F7-V24 PolarHBondContact N-O 3.1Å; F7-V24 PolarHBondContact O-N 2.85Å; F7-Y26 AromaticContact CD2-CD2 4Å; F7-Y26 HydrophobicContact CD2-CD2 4Å; F7-Y26 HydrophobicContact CD2-CE2 4.38Å; F7-Y26 AromaticContact CE2-CD2 3.95Å; F7-Y26 HydrophobicContact CE2-CD2 3.95Å; F7-I96 CarbonylContact C-O 3.53Å; F7-I96 WeakPolarHBondContact CA-O 3.44Å; F7-M97 HydrophobicContact CD1-CB 3.97Å; F7-M97 HydrophobicContact CD1-CG 3.69Å; F7-M97 HydrophobicContact CE1-CB 4.09Å; F7-M97 HydrophobicContact CE1-CG 3.37Å; F7-M97 HydrophobicContact CZ-CG 4.01Å |
| 8 | Y | 98.8 | Very high | 96 | Very high | 11 Ų | 11 | 55.3 Ų | 55.3 | 4% | 0.043 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 143 | 174.3 | -55.8 | -20.2 | 0 | 0 | 0 | 109.6 | Y6 F21 I22 A23 Q69 Q95 I96 Y98 | Y6-Y8 HydrophobicContact CD1-CE1 4.31Å; Y8-F21 HydrophobicContact CD1-CZ 4.08Å; Y8-F21 HydrophobicContact CD2-CE2 4.34Å; Y8-F21 HydrophobicContact CD2-CZ 4.03Å; Y8-F21 HydrophobicContact CE1-CZ 4.5Å; Y8-F21 HydrophobicContact CE2-CZ 4.42Å; Y8-F21 HydrophobicContact CG-CE2 4.21Å; Y8-F21 AromaticContact CG-CZ 3.81Å; Y8-F21 HydrophobicContact CG-CZ 3.81Å; Y8-I22 CarbonylContact C-O 3.57Å; Y8-I22 WeakPolarHBondContact CA-O 3.43Å; Y8-A23 HydrophobicContact CD1-CB 3.34Å; Y8-A23 HydrophobicContact CE1-CB 3.37Å; Y8-A23 HydrophobicContact CG-CB 4.41Å; Y8-Q69 HydrophobicContact CD2-CG 3.71Å; Y8-Q69 HydrophobicContact CE2-CB 4.37Å; Y8-Q69 HydrophobicContact CE2-CG 3.71Å; Y8-Q95 WeakPolarHBondContact O-CA 3.32Å; Y8-I96 HydrophobicContact CD2-CD1 4.47Å; Y8-I96 PolarHBondContact N-O 2.74Å; Y8-I96 PolarHBondContact O-N 3.09Å; Y8-Y98 HydrophobicContact CD2-CE1 4.04Å; Y8-Y98 HydrophobicContact CE1-CE1 4.1Å; Y8-Y98 AromaticContact CE2-CE1 3.5Å; Y8-Y98 HydrophobicContact CE2-CE1 3.5Å; Y8-Y98 AromaticContact CZ-CE1 3.58Å; Y8-Y98 AromaticContact CZ-CZ 3.87Å; Y8-Y98 VanDerWaalsContact CZ-OH 3.25Å; Y8-Y98 PolarHBondContact OH-OH 2.89Å |
| 9 | T | 98.8 | Very high | 96 | Very high | 40 Ų | 40 | 53.9 Ų | 53.9 | 25% | 0.245 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 122.9 | 176.1 | -62 | 0 | 0 | 0 | 0 | 109 | V11 F21 I22 T93 I94 Q95 | T9-V11 HydrophobicContact CG2-CG2 4Å; T9-F21 WeakPolarHBondContact O-CA 3.39Å; T9-I22 PolarHBondContact N-O 3.3Å; T9-I22 PolarHBondContact O-N 2.73Å; T9-T93 HydrophobicContact CG2-CG2 3.96Å; T9-I94 WeakPolarHBondContact CA-O 3.33Å; T9-Q95 HydrophobicContact CG2-CG 4.35Å |
| 10 | S | 98.6 | Very high | 96.1 | Very high | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.014 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 116 | -177.7 | -70.9 | 0 | 0 | 0 | 0 | 109.7 | R20 F21 D73 T93 I94 | S10-R20 CarbonylContact C-O 3.49Å; S10-R20 VanDerWaalsContact CA-O 3.28Å; S10-R20 WeakPolarHBondContact CA-O 3.3Å; S10-F21 WeakPolarHBondContact OG-CD2 3.38Å; S10-D73 WeakPolarHBondContact CB-OD2 3.2Å; S10-D73 VanDerWaalsContact OG-CB 3.26Å; S10-D73 WeakPolarHBondContact OG-CB 3.46Å; S10-D73 PolarHBondContact OG-OD2 2.79Å; S10-T93 CarbonylContact O-C 3.58Å; S10-T93 VanDerWaalsContact O-CA 3.28Å; S10-T93 WeakPolarHBondContact O-CA 2.97Å; S10-I94 PolarHBondContact N-O 3.34Å; S10-I94 PolarHBondContact O-N 2.79Å |
| 11 | V | 98.4 | Very high | 96.2 | Very high | 43 Ų | 43 | 53 Ų | 53 | 26% | 0.261 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 115.9 | -174.7 | -174.1 | 0 | 0 | 0 | 0 | 109.5 | T9 P19 R20 H92 T93 | T9-V11 HydrophobicContact CG2-CG2 4Å; V11-P19 CarbonylContact O-C 3.56Å; V11-P19 WeakPolarHBondContact O-CA 3.35Å; V11-P19 WeakPolarHBondContact O-CB 3.23Å; V11-R20 PolarHBondContact N-O 3.23Å; V11-R20 PolarHBondContact O-N 3.18Å; V11-H92 WeakPolarHBondContact CA-O 3.04Å; V11-T93 HydrophobicContact CG2-CG2 4.07Å |
| 12 | S | 97.5 | Very high | 96.4 | Very high | 19 Ų | 19 | 50.4 Ų | 50.4 | 13% | 0.133 | 28% | 0.275 | C | S | . | . | trans | -69.8 | 143.4 | 172.3 | 74.4 | 0 | 0 | 0 | 0 | 110.6 | S91 H92 | S12-S91 WeakPolarHBondContact O-CB 3.22Å; S12-S91 PolarHBondContact O-OG 2.84Å; S12-H92 PolarHBondContact N-O 3.3Å; S12-H92 PolarHBondContact OG-N 2.82Å; S12-H92 PolarHBondContact OG-O 2.82Å | ||
| 13 | R | 95.3 | Very high | 96.5 | Very high | 66 Ų | 66 | 48.1 Ų | 48.1 | 25% | 0.249 | 27% | 0.265 | C | S | . | . | trans | -134.2 | 74 | -175.9 | -57.6 | 179.2 | -72.1 | -166.7 | -9.2 | 110.7 | G15 R16 E18 D38 | R13-G15 PolarHBondContact O-N 3.38Å; R13-R16 HydrophobicContact CB-CB 4.03Å; R13-R16 PolarHBondContact O-N 2.84Å; R13-E18 PolarHBondContact NE-O 2.99Å; R13-E18 VanDerWaalsContact NE-O 3.1Å; R13-E18 PolarHBondContact NH2-O 3.41Å; R13-D38 IonicContact CZ-OD1 3.44Å; R13-D38 IonicContact CZ-OD2 3.67Å; R13-D38 IonicContact NH1-OD1 2.71Å; R13-D38 PolarHBondContact NH1-OD1 3.38Å; R13-D38 IonicContact NH1-OD2 3.03Å; R13-D38 PolarHBondContact NH1-OD2 2.93Å; R13-D38 IonicContact NH2-OD1 3.14Å; R13-D38 PolarHBondContact NH2-OD1 3.14Å; R13-D38 IonicContact NH2-OD2 3.99Å | ||
| 14 | P | 90.9 | Very high | 96.5 | Very high | 50 Ų | 50 | 47.9 Ų | 47.9 | 33% | 0.325 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50 | 131 | -179.2 | -25.9 | 34.3 | 0 | 0 | 0 | 111.8 | R16 E88 G90 | P14-R16 PolarHBondContact O-N 3.42Å; P14-E88 WeakPolarHBondContact CB-O 3.43Å; P14-E88 VanDerWaalsContact CG-O 3.31Å; P14-E88 WeakPolarHBondContact CG-O 3.19Å; P14-G90 WeakPolarHBondContact CG-O 3.49Å |
| 15 | G | 90 | Very high | 96.5 | Very high | 90 Ų | 90 | 47.7 Ų | 47.7 | 93% | 0.928 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.1 | 2.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | R13 | R13-G15 PolarHBondContact O-N 3.38Š|
| 16 | R | 90.7 | Very high | 96.5 | Very high | 212 Ų | 212 | 48.7 Ų | 48.7 | 80% | 0.8 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -125.2 | 21.1 | -179.3 | -57.3 | -176 | 180 | -173.8 | 0.2 | 113.7 | R13 P14 | R13-R16 HydrophobicContact CB-CB 4.03Å; R13-R16 PolarHBondContact O-N 2.84Å; P14-R16 PolarHBondContact O-N 3.42Å |
| 17 | G | 90.3 | Very high | 96.5 | Very high | 60 Ų | 60 | 48.4 Ų | 48.4 | 62% | 0.619 | 26% | 0.264 | S | S | * | . | trans | 94.3 | -156.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 18 | E | 92.9 | Very high | 96.4 | Very high | 95 Ų | 95 | 46.3 Ų | 46.3 | 44% | 0.444 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -67.3 | 155.1 | -176.7 | -65.1 | -62.8 | 162.8 | 0 | 0 | 112.6 | R13 R20 R74 | R13-E18 PolarHBondContact NE-O 2.99Å; R13-E18 VanDerWaalsContact NE-O 3.1Å; R13-E18 PolarHBondContact NH2-O 3.41Å; E18-R20 PolarHBondContact O-N 2.97Å; E18-R74 VanDerWaalsContact CD-NH2 3.33Å; E18-R74 IonicContact OE1-CZ 3.64Å; E18-R74 IonicContact OE1-NE 3.55Å; E18-R74 IonicContact OE1-NH1 3.64Å; E18-R74 PolarHBondContact OE1-NH1 3.1Å; E18-R74 IonicContact OE1-NH2 3.49Å; E18-R74 PolarHBondContact OE1-NH2 3.49Å; E18-R74 VanDerWaalsContact OE2-CD 3.28Å; E18-R74 WeakPolarHBondContact OE2-CD 3.44Å; E18-R74 IonicContact OE2-CZ 2.99Å; E18-R74 IonicContact OE2-NE 3.8Å; E18-R74 PolarHBondContact OE2-NE 3.49Å; E18-R74 VanDerWaalsContact OE2-NE 3.07Å; E18-R74 IonicContact OE2-NH1 3.94Å; E18-R74 PolarHBondContact OE2-NH1 3.25Å; E18-R74 VanDerWaalsContact OE2-NH1 3.16Å; E18-R74 IonicContact OE2-NH2 3.02Å; E18-R74 PolarHBondContact OE2-NH2 3.18Å |
| 19 | P | 96.5 | Very high | 96.3 | Very high | 29 Ų | 29 | 53.4 Ų | 53.4 | 19% | 0.188 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -53.1 | 140.7 | 172.2 | -25.4 | 35.1 | 0 | 0 | 0 | 112.1 | V11 R74 L77 | V11-P19 CarbonylContact O-C 3.56Å; V11-P19 WeakPolarHBondContact O-CA 3.35Å; V11-P19 WeakPolarHBondContact O-CB 3.23Å; P19-R74 HydrophobicContact CG-CB 4.36Å; P19-R74 HydrophobicContact CG-CG 4.23Å; P19-L77 HydrophobicContact CB-CD1 3.59Å; P19-L77 HydrophobicContact CG-CD1 3.66Å |
| 20 | R | 98.1 | Very high | 96.2 | Very high | 84 Ų | 84 | 54.2 Ų | 54.2 | 32% | 0.317 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 128.1 | 171.2 | -170.1 | 177.1 | 179.2 | -177.5 | -2 | 108.7 | S10 V11 E18 I22 D36 S37 D38 | S10-R20 CarbonylContact C-O 3.49Å; S10-R20 VanDerWaalsContact CA-O 3.28Å; S10-R20 WeakPolarHBondContact CA-O 3.3Å; V11-R20 PolarHBondContact N-O 3.23Å; V11-R20 PolarHBondContact O-N 3.18Å; E18-R20 PolarHBondContact O-N 2.97Å; R20-I22 HydrophobicContact CG-CG1 4.31Å; R20-D36 IonicContact CZ-OD1 3.74Å; R20-D36 IonicContact CZ-OD2 2.82Å; R20-D36 IonicContact NE-OD1 3.07Å; R20-D36 PolarHBondContact NE-OD1 3.43Å; R20-D36 IonicContact NE-OD2 3.34Å; R20-D36 IonicContact NH2-OD1 2.7Å; R20-D36 PolarHBondContact NH2-OD1 3.25Å; R20-D36 IonicContact NH2-OD2 3.86Å; R20-D36 PolarHBondContact NH2-OD2 2.92Å; R20-S37 WeakPolarHBondContact CA-OG 3.21Å; R20-D38 VanDerWaalsContact CD-OD2 3.26Å; R20-D38 WeakPolarHBondContact CD-OD2 3.18Å; R20-D38 IonicContact NE-OD2 2.79Å; R20-D38 PolarHBondContact NE-OD2 3.02Å |
| 21 | F | 98.6 | Very high | 96.2 | Very high | 3 Ų | 3 | 56.7 Ų | 56.7 | 1% | 0.013 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 127 | 173.8 | 179.3 | -84.8 | 0 | 0 | 0 | 109.9 | Y8 T9 S10 A23 F35 S37 V66 Q69 S70 D73 | Y8-F21 HydrophobicContact CD1-CZ 4.08Å; Y8-F21 HydrophobicContact CD2-CE2 4.34Å; Y8-F21 HydrophobicContact CD2-CZ 4.03Å; Y8-F21 HydrophobicContact CE1-CZ 4.5Å; Y8-F21 HydrophobicContact CE2-CZ 4.42Å; Y8-F21 HydrophobicContact CG-CE2 4.21Å; Y8-F21 AromaticContact CG-CZ 3.81Å; Y8-F21 HydrophobicContact CG-CZ 3.81Å; T9-F21 WeakPolarHBondContact O-CA 3.39Å; S10-F21 WeakPolarHBondContact OG-CD2 3.38Å; F21-A23 HydrophobicContact CE1-CB 3.64Å; F21-A23 HydrophobicContact CZ-CB 4.05Å; F21-F35 AromaticContact CD1-CD1 3.67Å; F21-F35 HydrophobicContact CD1-CD1 3.67Å; F21-F35 AromaticContact CD1-CE1 3.77Å; F21-F35 HydrophobicContact CD1-CE1 3.77Å; F21-F35 HydrophobicContact CE1-CD1 4.01Å; F21-F35 HydrophobicContact CE1-CE1 4.39Å; F21-S37 PolarHBondContact N-OG 2.7Å; F21-S37 PolarHBondContact O-N 3.3Å; F21-S37 PolarHBondContact O-OG 3.19Å; F21-V66 HydrophobicContact CE1-CB 3.97Å; F21-V66 HydrophobicContact CE1-CG1 4.49Å; F21-Q69 HydrophobicContact CE2-CB 4.27Å; F21-Q69 HydrophobicContact CE2-CG 3.8Å; F21-Q69 HydrophobicContact CZ-CB 4.18Å; F21-Q69 HydrophobicContact CZ-CG 4Å; F21-S70 VanDerWaalsContact CG-CB 3.49Å; F21-D73 WeakPolarHBondContact CE2-OD2 3.32Å |
| 22 | I | 98.8 | Very high | 96.2 | Very high | 38 Ų | 38 | 54.6 Ų | 54.6 | 20% | 0.195 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 132.8 | 173.2 | -58.3 | 174.1 | 0 | 0 | 0 | 107.9 | Y8 T9 R20 V24 F35 | Y8-I22 CarbonylContact C-O 3.57Å; Y8-I22 WeakPolarHBondContact CA-O 3.43Å; T9-I22 PolarHBondContact N-O 3.3Å; T9-I22 PolarHBondContact O-N 2.73Å; R20-I22 HydrophobicContact CG-CG1 4.31Å; I22-V24 HydrophobicContact CG2-CG1 4.34Å; I22-F35 WeakPolarHBondContact CA-O 3.35Å |
| 23 | A | 98.8 | Very high | 96.2 | Very high | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.008 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 137.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | F7 Y8 F21 R34 F35 V66 | F7-A23 WeakPolarHBondContact O-CA 3.46Å; Y8-A23 HydrophobicContact CD1-CB 3.34Å; Y8-A23 HydrophobicContact CE1-CB 3.37Å; Y8-A23 HydrophobicContact CG-CB 4.41Å; F21-A23 HydrophobicContact CE1-CB 3.64Å; F21-A23 HydrophobicContact CZ-CB 4.05Å; 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 4.24Å; A23-F35 PolarHBondContact N-O 3.1Å; A23-F35 PolarHBondContact O-N 3.15Å; A23-V66 HydrophobicContact CB-CG1 4.04Å |
| 24 | V | 98.9 | Very high | 96.4 | Very high | 21 Ų | 21 | 53.7 Ų | 53.7 | 13% | 0.127 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 143.6 | 172 | -63.7 | 0 | 0 | 0 | 0 | 110 | Y6 F7 I22 Y26 Q31 V33 R34 | Y6-V24 CarbonylContact C-O 3.52Å; Y6-V24 WeakPolarHBondContact CA-O 3.39Å; F7-V24 HydrophobicContact CB-CG2 3.83Å; F7-V24 HydrophobicContact CD2-CG2 4.28Å; F7-V24 HydrophobicContact CG-CG2 4.49Å; F7-V24 PolarHBondContact N-O 3.1Å; F7-V24 PolarHBondContact O-N 2.85Å; I22-V24 HydrophobicContact CG2-CG1 4.34Å; V24-Y26 HydrophobicContact CB-CE2 4.23Å; V24-Y26 HydrophobicContact CG2-CD2 4.45Å; V24-Y26 HydrophobicContact CG2-CE2 3.87Å; V24-Q31 VanDerWaalsContact CG1-NE2 3.34Å; V24-V33 WeakPolarHBondContact CA-O 3.34Å; V24-R34 HydrophobicContact CG1-CB 4.41Å; V24-R34 HydrophobicContact CG1-CG 4.13Å |
| 25 | G | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 140.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111 | R5 Q31 F32 V33 | R5-G25 CarbonylContact O-C 3.59Å; R5-G25 WeakPolarHBondContact O-CA 3.23Å; G25-Q31 WeakPolarHBondContact O-CA 3.48Å; G25-Q31 WeakPolarHBondContact O-CG 3.38Å; G25-F32 WeakPolarHBondContact O-CD1 3.42Å; G25-F32 PolarHBondContact O-N 2.84Å; G25-V33 PolarHBondContact N-O 3.06Å; G25-V33 VanDerWaalsContact N-O 3.12Å |
| 26 | Y | 98.8 | Very high | 97.2 | Very high | 70 Ų | 70 | 48.1 Ų | 48.1 | 28% | 0.275 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 139.6 | 178.4 | -75.5 | -100.2 | 0 | 0 | 0 | 110.6 | M4 R5 F7 V24 T30 Q31 | M4-Y26 CarbonylContact C-O 3.53Å; M4-Y26 VanDerWaalsContact CA-O 3.3Å; M4-Y26 WeakPolarHBondContact CA-O 3.35Å; R5-Y26 PolarHBondContact N-O 2.83Å; R5-Y26 PolarHBondContact O-N 2.9Å; F7-Y26 AromaticContact CD2-CD2 4Å; F7-Y26 HydrophobicContact CD2-CD2 4Å; F7-Y26 HydrophobicContact CD2-CE2 4.38Å; F7-Y26 AromaticContact CE2-CD2 3.95Å; F7-Y26 HydrophobicContact CE2-CD2 3.95Å; V24-Y26 HydrophobicContact CB-CE2 4.23Å; V24-Y26 HydrophobicContact CG2-CD2 4.45Å; V24-Y26 HydrophobicContact CG2-CE2 3.87Å; Y26-T30 WeakPolarHBondContact CA-O 3.19Å; Y26-Q31 HydrophobicContact CD1-CB 4.05Å; Y26-Q31 HydrophobicContact CD2-CG 4.49Å; Y26-Q31 HydrophobicContact CE1-CB 3.57Å; Y26-Q31 HydrophobicContact CE1-CG 4.3Å; Y26-Q31 HydrophobicContact CE2-CB 4.2Å; Y26-Q31 HydrophobicContact CE2-CG 4.02Å |
| 27 | V | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 119.2 | 158.2 | 174.3 | 0 | 0 | 0 | 0 | 106.3 | S3 M4 D29 T30 F32 W50 L167 Y170 L171 L178 | S3-V27 CarbonylContact O-C 3.48Å; S3-V27 WeakPolarHBondContact O-CA 3.41Å; M4-V27 HydrophobicContact CG-CG2 4.36Å; V27-D29 PolarHBondContact O-N 2.9Å; V27-T30 PolarHBondContact N-O 2.85Å; V27-T30 WeakPolarHBondContact O-CB 3.48Å; V27-T30 PolarHBondContact O-N 3.24Å; V27-F32 HydrophobicContact CG2-CD1 3.92Å; V27-F32 HydrophobicContact CG2-CE1 3.97Å; V27-W50 HydrophobicContact CB-CH2 4.23Å; V27-W50 HydrophobicContact CB-CZ2 4.32Å; V27-W50 HydrophobicContact CG2-CH2 3.78Å; V27-W50 HydrophobicContact CG2-CZ2 4.37Å; V27-L167 HydrophobicContact CG1-CD1 3.64Å; V27-L167 HydrophobicContact CG2-CD1 4.26Å; V27-Y170 HydrophobicContact CG2-CD2 3.9Å; V27-Y170 HydrophobicContact CG2-CG 4.44Å; V27-L171 HydrophobicContact CG1-CD2 4.09Å; V27-L178 HydrophobicContact CB-CD1 4.42Å; V27-L178 HydrophobicContact CG1-CD1 3.86Å; V27-L178 HydrophobicContact CG1-CD2 4.36Å |
| 28 | D | 96.8 | Very high | 97.8 | Very high | 39 Ų | 39 | 39.7 Ų | 39.7 | 21% | 0.209 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.4 | -125.5 | -164.3 | -55.7 | -40.3 | 0 | 0 | 0 | 110.2 | H2 S3 T30 | H2-D28 WeakPolarHBondContact CA-OD1 3.47Å; H2-D28 IonicContact CE1-OD2 2.86Å; H2-D28 IonicContact CG-OD2 3.33Å; H2-D28 IonicContact ND1-OD1 3.49Å; H2-D28 IonicContact ND1-OD2 2.69Å; H2-D28 PolarHBondContact ND1-OD2 3.23Å; S3-D28 PolarHBondContact N-OD1 3.42Å; S3-D28 PolarHBondContact O-N 2.91Å; D28-T30 VanDerWaalsContact C-N 3.34Å |
| 29 | D | 95.9 | Very high | 98 | Very high | 159 Ų | 159 | 36.6 Ų | 36.6 | 85% | 0.85 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | 8.9 | 178.5 | -60.1 | -51.9 | 0 | 0 | 0 | 113.2 | V27 | V27-D29 PolarHBondContact O-N 2.9Š|
| 30 | T | 97.5 | Very high | 98 | Very high | 58 Ų | 58 | 40.7 Ų | 40.7 | 36% | 0.356 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 113.9 | -176.5 | -57.2 | 0 | 0 | 0 | 0 | 111.3 | Y26 V27 D28 F32 A48 L178 | Y26-T30 WeakPolarHBondContact CA-O 3.19Å; V27-T30 PolarHBondContact N-O 2.85Å; V27-T30 WeakPolarHBondContact O-CB 3.48Å; V27-T30 PolarHBondContact O-N 3.24Å; D28-T30 VanDerWaalsContact C-N 3.34Å; T30-F32 PolarHBondContact O-N 2.9Å; T30-A48 HydrophobicContact CG2-CB 4.48Å; T30-L178 HydrophobicContact CG2-CD2 4.23Å |
| 31 | Q | 98.3 | Very high | 97.7 | Very high | 53 Ų | 53 | 39.3 Ų | 39.3 | 25% | 0.248 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 127.2 | 172 | -167.4 | -176.9 | -10 | 0 | 0 | 110.1 | V24 G25 Y26 V33 R47 | V24-Q31 VanDerWaalsContact CG1-NE2 3.34Å; G25-Q31 WeakPolarHBondContact O-CA 3.48Å; G25-Q31 WeakPolarHBondContact O-CG 3.38Å; Y26-Q31 HydrophobicContact CD1-CB 4.05Å; Y26-Q31 HydrophobicContact CD2-CG 4.49Å; Y26-Q31 HydrophobicContact CE1-CB 3.57Å; Y26-Q31 HydrophobicContact CE1-CG 4.3Å; Y26-Q31 HydrophobicContact CE2-CB 4.2Å; Y26-Q31 HydrophobicContact CE2-CG 4.02Å; Q31-V33 PolarHBondContact NE2-O 2.77Å; Q31-R47 HydrophobicContact CG-CB 4.29Å |
| 32 | F | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | -22.1 | -177.9 | 77.1 | -82.8 | 0 | 0 | 0 | 114.4 | M4 Y6 G25 V27 T30 R47 A48 W50 I51 Y170 | M4-F32 HydrophobicContact CG-CE1 4.43Å; M4-F32 HydrophobicContact SD-CZ 4.33Å; Y6-F32 HydrophobicContact CE1-CZ 4.29Å; Y6-F32 HydrophobicContact CE2-CZ 4.39Å; Y6-F32 AromaticContact CZ-CZ 3.8Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.31Å; G25-F32 WeakPolarHBondContact O-CD1 3.42Å; G25-F32 PolarHBondContact O-N 2.84Å; V27-F32 HydrophobicContact CG2-CD1 3.92Å; V27-F32 HydrophobicContact CG2-CE1 3.97Å; T30-F32 PolarHBondContact O-N 2.9Å; F32-R47 PolarHBondContact O-N 3.12Å; F32-A48 HydrophobicContact CB-CB 4.14Å; F32-W50 HydrophobicContact CB-CH2 3.11Å; F32-W50 HydrophobicContact CB-CZ2 3.32Å; F32-W50 HydrophobicContact CB-CZ3 3.96Å; F32-W50 HydrophobicContact CD1-CH2 4.07Å; F32-W50 AromaticContact CD2-CH2 3.7Å; F32-W50 HydrophobicContact CD2-CH2 3.7Å; F32-W50 AromaticContact CD2-CZ3 3.96Å; F32-W50 HydrophobicContact CD2-CZ3 3.96Å; F32-W50 AromaticContact CG-CH2 3.39Å; F32-W50 HydrophobicContact CG-CH2 3.39Å; F32-W50 HydrophobicContact CG-CZ2 4.08Å; F32-W50 HydrophobicContact CG-CZ3 4.12Å; F32-I51 HydrophobicContact CD2-CB 4.36Å; F32-I51 HydrophobicContact CD2-CD1 3.9Å; F32-I51 HydrophobicContact CD2-CG1 3.98Å; F32-I51 HydrophobicContact CE2-CD1 4.17Å; F32-I51 VanDerWaalsContact O-CG2 3.3Å; F32-I51 WeakPolarHBondContact O-CG2 3.22Å; F32-Y170 HydrophobicContact CE2-CD2 4.11Å; F32-Y170 AromaticContact CE2-CE2 3.64Å; F32-Y170 HydrophobicContact CE2-CE2 3.64Å; F32-Y170 HydrophobicContact CZ-CD2 4.16Å; F32-Y170 AromaticContact CZ-CE2 3.72Å; F32-Y170 HydrophobicContact CZ-CE2 3.72Å |
| 33 | V | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 155.2 | 176.4 | -72.8 | 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 3.34Å; G25-V33 PolarHBondContact N-O 3.06Å; G25-V33 VanDerWaalsContact N-O 3.12Å; Q31-V33 PolarHBondContact NE2-O 2.77Å; V33-M44 HydrophobicContact CB-CG 4.13Å; V33-M44 HydrophobicContact CB-SD 3.72Å; V33-M44 HydrophobicContact CG1-CG 4.21Å; V33-M44 HydrophobicContact CG1-SD 4.44Å; V33-M44 HydrophobicContact CG2-SD 4.16Å; V33-E45 WeakPolarHBondContact CA-O 3.46Å; V33-I51 HydrophobicContact CG1-CG1 4.35Å; V33-W59 HydrophobicContact CG1-CH2 4.05Å; V33-W59 HydrophobicContact CG1-CZ3 3.87Å |
| 34 | R | 98.6 | Very high | 97.5 | Very high | 66 Ų | 66 | 49.1 Ų | 49.1 | 25% | 0.249 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 141.7 | 172.5 | -178.6 | 176.8 | 173.8 | 87.3 | 6.1 | 111.3 | A23 V24 D36 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 4.41Å; V24-R34 HydrophobicContact CG1-CG 4.13Å; R34-D36 IonicContact CZ-OD2 3.71Å; R34-D36 IonicContact NH2-OD2 3.66Å; R34-D36 PolarHBondContact NH2-OD2 3.27Å; R34-E45 PolarHBondContact N-O 2.88Å; R34-E45 PolarHBondContact O-N 3.39Å; R34-R47 HydrophobicContact CB-CG 3.86Å |
| 35 | F | 98.8 | Very high | 97.5 | Very high | 3 Ų | 3 | 51 Ų | 51 | 1% | 0.013 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 145.1 | 163.3 | 175.1 | -84.1 | 0 | 0 | 0 | 109.8 | F21 I22 A23 Q42 R43 M44 V66 K67 | F21-F35 AromaticContact CD1-CD1 3.67Å; F21-F35 HydrophobicContact CD1-CD1 3.67Å; F21-F35 AromaticContact CD1-CE1 3.77Å; F21-F35 HydrophobicContact CD1-CE1 3.77Å; F21-F35 HydrophobicContact CE1-CD1 4.01Å; F21-F35 HydrophobicContact CE1-CE1 4.39Å; I22-F35 WeakPolarHBondContact CA-O 3.35Å; A23-F35 HydrophobicContact CB-CB 4.24Å; A23-F35 PolarHBondContact N-O 3.1Å; A23-F35 PolarHBondContact O-N 3.15Å; F35-Q42 VanDerWaalsContact CE2-C 3.45Å; F35-Q42 HydrophobicContact CE2-CB 4.39Å; F35-Q42 WeakPolarHBondContact CE2-O 3.31Å; F35-Q42 HydrophobicContact CZ-CB 4.43Å; F35-R43 WeakPolarHBondContact CD2-O 3.48Å; F35-M44 HydrophobicContact CB-CE 4.22Å; F35-M44 HydrophobicContact CB-SD 3.92Å; F35-V66 HydrophobicContact CB-CG2 3.99Å; F35-V66 HydrophobicContact CD1-CB 4.39Å; F35-V66 HydrophobicContact CD1-CG2 4.02Å; F35-V66 HydrophobicContact CD2-CB 4.48Å; F35-V66 HydrophobicContact CD2-CG2 3.34Å; F35-V66 HydrophobicContact CE1-CG2 4.35Å; F35-V66 HydrophobicContact CE2-CG2 3.7Å; F35-V66 HydrophobicContact CG-CB 4.23Å; F35-V66 HydrophobicContact CG-CG2 3.51Å; F35-V66 HydrophobicContact CZ-CG2 4.21Å; F35-K67 HydrophobicContact CE2-CG 4.23Å; F35-K67 HydrophobicContact CZ-CG 4.11Å |
| 36 | D | 98.6 | Very high | 97.5 | Very high | 19 Ų | 19 | 53.4 Ų | 53.4 | 10% | 0.102 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 121.2 | 174.3 | -161.9 | -31.6 | 0 | 0 | 0 | 109.5 | R20 R34 D38 A39 | R20-D36 IonicContact CZ-OD1 3.74Å; R20-D36 IonicContact CZ-OD2 2.82Å; R20-D36 IonicContact NE-OD1 3.07Å; R20-D36 PolarHBondContact NE-OD1 3.43Å; R20-D36 IonicContact NE-OD2 3.34Å; R20-D36 IonicContact NH2-OD1 2.7Å; R20-D36 PolarHBondContact NH2-OD1 3.25Å; R20-D36 IonicContact NH2-OD2 3.86Å; R20-D36 PolarHBondContact NH2-OD2 2.92Å; R34-D36 IonicContact CZ-OD2 3.71Å; R34-D36 IonicContact NH2-OD2 3.66Å; R34-D36 PolarHBondContact NH2-OD2 3.27Å; D36-D38 PolarHBondContact O-N 3.45Å; D36-D38 PolarHBondContact OD1-N 3.21Å; D36-A39 HydrophobicContact CB-CB 4.15Å; D36-A39 WeakPolarHBondContact O-CB 3.26Å; D36-A39 PolarHBondContact O-N 3.5Å; D36-A39 VanDerWaalsContact O-N 3.12Å |
| 37 | S | 97.8 | Very high | 97.4 | Very high | 18 Ų | 18 | 56 Ų | 56 | 13% | 0.126 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -22.3 | -179.1 | 66.1 | 0 | 0 | 0 | 0 | 113.1 | R20 F21 A39 Q42 | R20-S37 WeakPolarHBondContact CA-OG 3.21Å; F21-S37 PolarHBondContact N-OG 2.7Å; F21-S37 PolarHBondContact O-N 3.3Å; F21-S37 PolarHBondContact O-OG 3.19Å; S37-A39 VanDerWaalsContact C-N 3.35Å; S37-Q42 PolarHBondContact O-NE2 2.93Å |
| 38 | D | 96.9 | Very high | 97.3 | Very high | 77 Ų | 77 | 56.2 Ų | 56.2 | 41% | 0.412 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -8 | 178.2 | -72.5 | 0.8 | 0 | 0 | 0 | 112.4 | R13 R20 D36 | R13-D38 IonicContact CZ-OD1 3.44Å; R13-D38 IonicContact CZ-OD2 3.67Å; R13-D38 IonicContact NH1-OD1 2.71Å; R13-D38 PolarHBondContact NH1-OD1 3.38Å; R13-D38 IonicContact NH1-OD2 3.03Å; R13-D38 PolarHBondContact NH1-OD2 2.93Å; R13-D38 IonicContact NH2-OD1 3.14Å; R13-D38 PolarHBondContact NH2-OD1 3.14Å; R13-D38 IonicContact NH2-OD2 3.99Å; R20-D38 VanDerWaalsContact CD-OD2 3.26Å; R20-D38 WeakPolarHBondContact CD-OD2 3.18Å; R20-D38 IonicContact NE-OD2 2.79Å; R20-D38 PolarHBondContact NE-OD2 3.02Å; D36-D38 PolarHBondContact O-N 3.45Å; D36-D38 PolarHBondContact OD1-N 3.21Å |
| 39 | A | 96.8 | Very high | 97.3 | Very high | 30 Ų | 30 | 59.3 Ų | 59.3 | 25% | 0.248 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -71.7 | 145.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | D36 S37 S41 Q42 | D36-A39 HydrophobicContact CB-CB 4.15Å; D36-A39 WeakPolarHBondContact O-CB 3.26Å; D36-A39 PolarHBondContact O-N 3.5Å; D36-A39 VanDerWaalsContact O-N 3.12Å; S37-A39 VanDerWaalsContact C-N 3.35Å; A39-S41 VanDerWaalsContact C-N 3.27Å; A39-S41 PolarHBondContact O-N 2.87Å; A39-Q42 WeakPolarHBondContact O-CG 3.18Å; A39-Q42 PolarHBondContact O-N 2.98Å |
| 40 | A | 95.6 | Very high | 97.3 | Very high | 115 Ų | 115 | 52.4 Ų | 52.4 | 95% | 0.95 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -62 | -32.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 41 | S | 92.9 | Very high | 97.2 | Very high | 56 Ų | 56 | 49.6 Ų | 49.6 | 39% | 0.392 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -74.2 | -32.8 | 178.9 | 58 | 0 | 0 | 0 | 0 | 112.5 | A39 R43 E45 | A39-S41 VanDerWaalsContact C-N 3.27Å; A39-S41 PolarHBondContact O-N 2.87Å; S41-R43 PolarHBondContact O-N 2.77Å; S41-E45 PolarHBondContact OG-OE1 3.25Å; S41-E45 VanDerWaalsContact OG-OE1 3.05Å |
| 42 | Q | 95.7 | Very high | 97.1 | Very high | 86 Ų | 86 | 53.2 Ų | 53.2 | 40% | 0.402 | 28% | 0.284 | S | S | . | . | trans | 39.4 | 52.8 | -168.8 | -59.3 | -172.9 | -27.5 | 0 | 0 | 112 | F35 S37 A39 K67 | F35-Q42 VanDerWaalsContact CE2-C 3.45Å; F35-Q42 HydrophobicContact CE2-CB 4.39Å; F35-Q42 WeakPolarHBondContact CE2-O 3.31Å; F35-Q42 HydrophobicContact CZ-CB 4.43Å; S37-Q42 PolarHBondContact O-NE2 2.93Å; A39-Q42 WeakPolarHBondContact O-CG 3.18Å; A39-Q42 PolarHBondContact O-N 2.98Å; Q42-K67 WeakPolarHBondContact O-CE 3.34Å; Q42-K67 PolarHBondContact O-NZ 3.19Å; Q42-K67 VanDerWaalsContact O-NZ 3.13Å | ||
| 43 | R | 97.9 | Very high | 96.9 | Very high | 154 Ų | 154 | 59 Ų | 59 | 58% | 0.581 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -126.3 | 155.2 | 179.6 | -81.8 | 178.3 | 170.7 | 161.4 | -1.5 | 110.7 | F35 S41 T63 | F35-R43 WeakPolarHBondContact CD2-O 3.48Å; S41-R43 PolarHBondContact O-N 2.77Å; R43-T63 HydrophobicContact CG-CG2 4.14Å |
| 44 | M | 98.4 | Very high | 96.8 | Very high | 8 Ų | 8 | 59.5 Ų | 59.5 | 4% | 0.039 | 31% | 0.313 | C | S | . | . | trans | -69.1 | 128.6 | 166.7 | -172 | 65.3 | 82.1 | 0 | 0 | 108.2 | V33 F35 W59 E62 T63 V66 | V33-M44 HydrophobicContact CB-CG 4.13Å; V33-M44 HydrophobicContact CB-SD 3.72Å; V33-M44 HydrophobicContact CG1-CG 4.21Å; V33-M44 HydrophobicContact CG1-SD 4.44Å; V33-M44 HydrophobicContact CG2-SD 4.16Å; F35-M44 HydrophobicContact CB-CE 4.22Å; F35-M44 HydrophobicContact CB-SD 3.92Å; M44-W59 HydrophobicContact CB-CE3 4.24Å; M44-W59 HydrophobicContact CG-CE3 4.14Å; M44-W59 HydrophobicContact CG-CZ3 3.97Å; M44-E62 HydrophobicContact CB-CB 4.08Å; M44-E62 HydrophobicContact CE-CB 4.4Å; M44-E62 HydrophobicContact CG-CB 4.06Å; M44-T63 PolarHBondContact N-OG1 2.94Å; M44-V66 HydrophobicContact CE-CB 4.43Å; M44-V66 HydrophobicContact CE-CG1 3.38Å; M44-V66 HydrophobicContact CE-CG2 4.26Å | ||
| 45 | E | 98.1 | Very high | 96.7 | Very high | 61 Ų | 61 | 57.7 Ų | 57.7 | 29% | 0.285 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 139.8 | -174 | -67.2 | 174.3 | 169.1 | 0 | 0 | 110.9 | V33 R34 S41 R47 | V33-E45 WeakPolarHBondContact CA-O 3.46Å; R34-E45 PolarHBondContact N-O 2.88Å; R34-E45 PolarHBondContact O-N 3.39Å; S41-E45 PolarHBondContact OG-OE1 3.25Å; S41-E45 VanDerWaalsContact OG-OE1 3.05Å; E45-R47 IonicContact OE2-CZ 3.66Å; E45-R47 IonicContact OE2-NH2 2.73Å; E45-R47 PolarHBondContact OE2-NH2 2.75Å |
| 46 | P | 98.1 | Very high | 96.6 | Very high | 50 Ų | 50 | 61.6 Ų | 61.6 | 33% | 0.325 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 145.4 | 173.5 | 29.7 | -35.4 | 0 | 0 | 0 | 111 | I51 E52 W59 | P46-I51 HydrophobicContact CB-CG2 3.58Å; P46-E52 HydrophobicContact CB-CG 3.83Å; P46-E52 HydrophobicContact CG-CG 4.08Å; P46-W59 HydrophobicContact CB-CH2 3.64Å; P46-W59 HydrophobicContact CB-CZ2 3.96Å; P46-W59 HydrophobicContact CG-CH2 4.29Å; P46-W59 HydrophobicContact CG-CZ2 4.41Å |
| 47 | R | 98 | Very high | 96.6 | Very high | 123 Ų | 123 | 67.5 Ų | 67.5 | 46% | 0.464 | 37% | 0.367 | S | S | . | . | trans | -129.4 | -0.3 | 175 | -59.9 | -64.9 | 169.9 | 173.9 | -3 | 113.3 | Q31 F32 R34 E45 | Q31-R47 HydrophobicContact CG-CB 4.29Å; F32-R47 PolarHBondContact O-N 3.12Å; R34-R47 HydrophobicContact CB-CG 3.86Å; E45-R47 IonicContact OE2-CZ 3.66Å; E45-R47 IonicContact OE2-NH2 2.73Å; E45-R47 PolarHBondContact OE2-NH2 2.75Å | ||
| 48 | A | 96.5 | Very high | 96.6 | Very high | 5 Ų | 5 | 68.1 Ų | 68.1 | 4% | 0.041 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -137.2 | 145.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | T30 F32 W50 I51 | T30-A48 HydrophobicContact CG2-CB 4.48Å; F32-A48 HydrophobicContact CB-CB 4.14Å; A48-W50 VanDerWaalsContact C-N 3.28Å; A48-W50 HydrophobicContact CB-CD2 4.18Å; A48-W50 HydrophobicContact CB-CG 4.38Å; A48-W50 HydrophobicContact CB-CZ2 4.01Å; A48-W50 PolarHBondContact O-N 2.99Å; A48-I51 WeakPolarHBondContact O-CG2 3.47Å; A48-I51 PolarHBondContact O-N 2.7Å |
| 49 | P | 96 | Very high | 96.6 | Very high | 104 Ų | 104 | 66.4 Ų | 66.4 | 68% | 0.675 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -59.2 | -37.1 | -176.5 | -26.2 | 34.8 | 0 | 0 | 0 | 113.9 | I51 E52 | P49-I51 PolarHBondContact O-N 3.44Å; P49-E52 WeakPolarHBondContact O-CB 3.38Å; P49-E52 PolarHBondContact O-N 3.1Å; P49-E52 VanDerWaalsContact O-N 3.1Å |
| 50 | W | 95.1 | Very high | 96.7 | Very high | 14 Ų | 14 | 68.5 Ų | 68.5 | 5% | 0.053 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | -71.4 | -12.4 | -175.6 | 53.9 | -106.4 | 0 | 0 | 0 | 114.4 | V27 F32 A48 Q53 Y170 N173 L178 | V27-W50 HydrophobicContact CB-CH2 4.23Å; V27-W50 HydrophobicContact CB-CZ2 4.32Å; V27-W50 HydrophobicContact CG2-CH2 3.78Å; V27-W50 HydrophobicContact CG2-CZ2 4.37Å; F32-W50 HydrophobicContact CB-CH2 3.11Å; F32-W50 HydrophobicContact CB-CZ2 3.32Å; F32-W50 HydrophobicContact CB-CZ3 3.96Å; F32-W50 HydrophobicContact CD1-CH2 4.07Å; F32-W50 AromaticContact CD2-CH2 3.7Å; F32-W50 HydrophobicContact CD2-CH2 3.7Å; F32-W50 AromaticContact CD2-CZ3 3.96Å; F32-W50 HydrophobicContact CD2-CZ3 3.96Å; F32-W50 AromaticContact CG-CH2 3.39Å; F32-W50 HydrophobicContact CG-CH2 3.39Å; F32-W50 HydrophobicContact CG-CZ2 4.08Å; F32-W50 HydrophobicContact CG-CZ3 4.12Å; A48-W50 VanDerWaalsContact C-N 3.28Å; A48-W50 HydrophobicContact CB-CD2 4.18Å; A48-W50 HydrophobicContact CB-CG 4.38Å; A48-W50 HydrophobicContact CB-CZ2 4.01Å; A48-W50 PolarHBondContact O-N 2.99Å; W50-Q53 WeakPolarHBondContact O-CG 3.27Å; W50-Y170 HydrophobicContact CH2-CG 4.25Å; W50-Y170 AromaticContact CZ3-CD1 3.94Å; W50-Y170 HydrophobicContact CZ3-CD1 3.94Å; W50-Y170 HydrophobicContact CZ3-CD2 4.37Å; W50-Y170 AromaticContact CZ3-CG 3.69Å; W50-Y170 HydrophobicContact CZ3-CG 3.69Å; W50-N173 HydrophobicContact CB-CB 4.31Å; W50-L178 HydrophobicContact CD2-CD1 4.46Å; W50-L178 HydrophobicContact CZ2-CD1 3.91Å; W50-L178 HydrophobicContact CZ2-CD2 4.38Å |
| 51 | I | 97.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -89.3 | -18 | 172.3 | -160.9 | 73.2 | 0 | 0 | 0 | 111.4 | F32 V33 P46 A48 P49 Q53 E54 Y58 W59 Y170 | F32-I51 HydrophobicContact CD2-CB 4.36Å; F32-I51 HydrophobicContact CD2-CD1 3.9Å; F32-I51 HydrophobicContact CD2-CG1 3.98Å; F32-I51 HydrophobicContact CE2-CD1 4.17Å; F32-I51 VanDerWaalsContact O-CG2 3.3Å; F32-I51 WeakPolarHBondContact O-CG2 3.22Å; V33-I51 HydrophobicContact CG1-CG1 4.35Å; P46-I51 HydrophobicContact CB-CG2 3.58Å; A48-I51 WeakPolarHBondContact O-CG2 3.47Å; A48-I51 PolarHBondContact O-N 2.7Å; P49-I51 PolarHBondContact O-N 3.44Å; I51-Q53 PolarHBondContact O-N 3Å; I51-Q53 VanDerWaalsContact O-N 3.15Å; I51-E54 HydrophobicContact CD1-CG 3.58Å; I51-E54 HydrophobicContact CG1-CG 3.96Å; I51-E54 VanDerWaalsContact O-CB 3.26Å; I51-E54 WeakPolarHBondContact O-CB 3.25Å; I51-E54 VanDerWaalsContact O-CG 3.31Å; I51-E54 WeakPolarHBondContact O-CG 3.41Å; I51-E54 PolarHBondContact O-N 2.81Å; I51-Y58 HydrophobicContact CD1-CE1 4.26Å; I51-Y58 HydrophobicContact CG1-CE1 4.23Å; I51-W59 HydrophobicContact CB-CH2 4.4Å; I51-W59 HydrophobicContact CG1-CH2 3.74Å; I51-W59 HydrophobicContact CG1-CZ2 4.01Å; I51-W59 HydrophobicContact CG2-CH2 3.86Å; I51-W59 HydrophobicContact CG2-CZ2 4.24Å; I51-W59 WeakPolarHBondContact O-CZ2 3.47Å; I51-Y170 HydrophobicContact CD1-CD1 3.66Å; I51-Y170 HydrophobicContact CD1-CE1 3.36Å; I51-Y170 HydrophobicContact CD1-CG 4.48Å |
| 52 | E | 95.3 | Very high | 97 | Very high | 129 Ų | 129 | 65.8 Ų | 65.8 | 60% | 0.603 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -20.2 | -178.1 | -63.6 | -179 | -170.6 | 0 | 0 | 113.3 | P46 P49 E54 | P46-E52 HydrophobicContact CB-CG 3.83Å; P46-E52 HydrophobicContact CG-CG 4.08Å; P49-E52 WeakPolarHBondContact O-CB 3.38Å; P49-E52 PolarHBondContact O-N 3.1Å; P49-E52 VanDerWaalsContact O-N 3.1Å; E52-E54 PolarHBondContact O-N 3.35Å |
| 53 | Q | 94.3 | Very high | 97.1 | Very high | 120 Ų | 120 | 62.3 Ų | 62.3 | 56% | 0.561 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -10.4 | 173.6 | 68.8 | -173.4 | 58.5 | 0 | 0 | 113.9 | W50 I51 N173 | W50-Q53 WeakPolarHBondContact O-CG 3.27Å; I51-Q53 PolarHBondContact O-N 3Å; I51-Q53 VanDerWaalsContact O-N 3.15Å; Q53-N173 PolarHBondContact NE2-ND2 3.04Å; Q53-N173 PolarHBondContact NE2-OD1 3.47Å |
| 54 | E | 96.4 | Very high | 97.2 | Very high | 11 Ų | 11 | 62 Ų | 62 | 5% | 0.051 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -64.9 | 137.7 | 174.1 | -69.9 | -61.3 | 147.3 | 0 | 0 | 111.5 | I51 E52 Y58 W59 R169 N173 | I51-E54 HydrophobicContact CD1-CG 3.58Å; I51-E54 HydrophobicContact CG1-CG 3.96Å; I51-E54 VanDerWaalsContact O-CB 3.26Å; I51-E54 WeakPolarHBondContact O-CB 3.25Å; I51-E54 VanDerWaalsContact O-CG 3.31Å; I51-E54 WeakPolarHBondContact O-CG 3.41Å; I51-E54 PolarHBondContact O-N 2.81Å; E52-E54 PolarHBondContact O-N 3.35Å; E54-Y58 HydrophobicContact CB-CD1 3.5Å; E54-Y58 VanDerWaalsContact CB-CD1 3.5Å; E54-Y58 HydrophobicContact CB-CE1 4.1Å; E54-Y58 HydrophobicContact CB-CG 3.8Å; E54-Y58 HydrophobicContact CG-CD1 3.81Å; E54-Y58 HydrophobicContact CG-CD2 4.37Å; E54-Y58 HydrophobicContact CG-CE1 3.98Å; E54-Y58 HydrophobicContact CG-CG 4.01Å; E54-W59 HydrophobicContact CB-CZ2 4.26Å; E54-W59 PolarHBondContact O-NE1 2.88Å; E54-W59 VanDerWaalsContact O-NE1 3.1Å; E54-R169 VanDerWaalsContact CD-CZ 3.43Å; E54-R169 IonicContact OE1-CZ 3.04Å; E54-R169 IonicContact OE1-NE 2.71Å; E54-R169 PolarHBondContact OE1-NE 3.05Å; E54-R169 IonicContact OE1-NH1 2.6Å; E54-R169 IonicContact OE1-NH2 3.68Å; E54-R169 PolarHBondContact OE1-NH2 3.03Å; E54-R169 IonicContact OE2-CZ 3.63Å; E54-R169 IonicContact OE2-NE 3.75Å; E54-R169 IonicContact OE2-NH1 2.7Å; E54-R169 PolarHBondContact OE2-NH1 3.13Å; E54-R169 IonicContact OE2-NH2 3.44Å; E54-R169 PolarHBondContact OE2-NH2 2.95Å; E54-N173 PolarHBondContact OE1-ND2 3.35Å |
| 55 | G | 96.6 | Very high | 97.1 | Very high | 28 Ų | 28 | 64.8 Ų | 64.8 | 29% | 0.289 | 32% | 0.322 | S | S | . | . | trans | -71 | 166.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | E57 Y58 W59 | G55-E57 PolarHBondContact O-N 2.71Å; G55-Y58 WeakPolarHBondContact O-CB 3.42Å; G55-Y58 PolarHBondContact O-N 3.45Å; G55-Y58 VanDerWaalsContact O-N 3.11Å; G55-W59 VanDerWaalsContact O-CD1 3.22Å; G55-W59 PolarHBondContact O-N 2.99Å | ||
| 56 | P | 97.1 | Very high | 97.1 | Very high | 85 Ų | 85 | 61.9 Ų | 61.9 | 55% | 0.552 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -58.9 | -32 | -179.3 | 23.9 | -32.5 | 0 | 0 | 0 | 113.2 | Y58 W59 D60 | P56-Y58 VanDerWaalsContact C-N 3.29Å; P56-Y58 PolarHBondContact O-N 2.81Å; P56-W59 PolarHBondContact O-N 2.81Å; P56-D60 WeakPolarHBondContact O-CB 3.21Å; P56-D60 PolarHBondContact O-N 3.26Å |
| 57 | E | 97.7 | Very high | 97.1 | Very high | 143 Ų | 143 | 63.4 Ų | 63.4 | 67% | 0.668 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -63 | -36.4 | 178.3 | -62.8 | 75.8 | -165.8 | 0 | 0 | 112.2 | G55 Q61 | G55-E57 PolarHBondContact O-N 2.71Å; E57-Q61 VanDerWaalsContact O-CB 3.31Å; E57-Q61 WeakPolarHBondContact O-CB 3.16Å; E57-Q61 PolarHBondContact O-N 3.11Å |
| 58 | Y | 97.3 | Very high | 97.1 | Very high | 32 Ų | 32 | 60.3 Ų | 60.3 | 13% | 0.125 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.9 | -52.1 | 175.1 | 170.8 | -92.5 | 0 | 0 | 0 | 110.4 | I51 E54 G55 P56 D60 Q61 E62 Y170 | I51-Y58 HydrophobicContact CD1-CE1 4.26Å; I51-Y58 HydrophobicContact CG1-CE1 4.23Å; E54-Y58 HydrophobicContact CB-CD1 3.5Å; E54-Y58 VanDerWaalsContact CB-CD1 3.5Å; E54-Y58 HydrophobicContact CB-CE1 4.1Å; E54-Y58 HydrophobicContact CB-CG 3.8Å; E54-Y58 HydrophobicContact CG-CD1 3.81Å; E54-Y58 HydrophobicContact CG-CD2 4.37Å; E54-Y58 HydrophobicContact CG-CE1 3.98Å; E54-Y58 HydrophobicContact CG-CG 4.01Å; G55-Y58 WeakPolarHBondContact O-CB 3.42Å; G55-Y58 PolarHBondContact O-N 3.45Å; G55-Y58 VanDerWaalsContact O-N 3.11Å; P56-Y58 VanDerWaalsContact C-N 3.29Å; P56-Y58 PolarHBondContact O-N 2.81Å; Y58-D60 VanDerWaalsContact C-N 3.33Å; Y58-D60 PolarHBondContact O-N 3.48Å; Y58-Q61 PolarHBondContact O-N 2.6Å; Y58-E62 HydrophobicContact CD1-CG 4.32Å; Y58-E62 HydrophobicContact CD2-CG 4.28Å; Y58-E62 HydrophobicContact CE1-CG 3.93Å; Y58-E62 HydrophobicContact CE2-CG 3.89Å; Y58-E62 HydrophobicContact CG-CG 4.48Å; Y58-E62 WeakPolarHBondContact O-CB 3.38Å; Y58-E62 WeakPolarHBondContact O-CG 3.02Å; Y58-E62 PolarHBondContact O-N 3.28Å; Y58-Y170 HydrophobicContact CE2-CE1 4.46Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.47Å; Y58-Y170 PolarHBondContact OH-OH 3.07Å |
| 59 | W | 98.3 | Very high | 97.2 | Very high | 40 Ų | 40 | 62 Ų | 62 | 15% | 0.152 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.6 | -38.4 | -178.3 | -64.7 | 112.1 | 0 | 0 | 0 | 112.9 | V33 M44 P46 I51 E54 G55 P56 T63 | V33-W59 HydrophobicContact CG1-CH2 4.05Å; V33-W59 HydrophobicContact CG1-CZ3 3.87Å; M44-W59 HydrophobicContact CB-CE3 4.24Å; M44-W59 HydrophobicContact CG-CE3 4.14Å; M44-W59 HydrophobicContact CG-CZ3 3.97Å; P46-W59 HydrophobicContact CB-CH2 3.64Å; P46-W59 HydrophobicContact CB-CZ2 3.96Å; P46-W59 HydrophobicContact CG-CH2 4.29Å; P46-W59 HydrophobicContact CG-CZ2 4.41Å; I51-W59 HydrophobicContact CB-CH2 4.4Å; I51-W59 HydrophobicContact CG1-CH2 3.74Å; I51-W59 HydrophobicContact CG1-CZ2 4.01Å; I51-W59 HydrophobicContact CG2-CH2 3.86Å; I51-W59 HydrophobicContact CG2-CZ2 4.24Å; I51-W59 WeakPolarHBondContact O-CZ2 3.47Å; E54-W59 HydrophobicContact CB-CZ2 4.26Å; E54-W59 PolarHBondContact O-NE1 2.88Å; E54-W59 VanDerWaalsContact O-NE1 3.1Å; G55-W59 VanDerWaalsContact O-CD1 3.22Å; G55-W59 PolarHBondContact O-N 2.99Å; P56-W59 PolarHBondContact O-N 2.81Å; W59-T63 VanDerWaalsContact O-CB 3.22Å; W59-T63 WeakPolarHBondContact O-CB 3.44Å; W59-T63 PolarHBondContact O-N 3.33Å; W59-T63 PolarHBondContact O-OG1 2.73Å |
| 60 | D | 98.2 | Very high | 97.3 | Very high | 74 Ų | 74 | 58 Ų | 58 | 40% | 0.396 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65.4 | -43.9 | 174.9 | -84.5 | -9.3 | 0 | 0 | 0 | 111.6 | P56 Y58 R64 | P56-D60 WeakPolarHBondContact O-CB 3.21Å; P56-D60 PolarHBondContact O-N 3.26Å; Y58-D60 VanDerWaalsContact C-N 3.33Å; Y58-D60 PolarHBondContact O-N 3.48Å; D60-R64 VanDerWaalsContact O-CG 3.29Å; D60-R64 WeakPolarHBondContact O-CG 3.39Å; D60-R64 PolarHBondContact O-N 3.18Å |
| 61 | Q | 97.6 | Very high | 97.4 | Very high | 86 Ų | 86 | 62.5 Ų | 62.5 | 40% | 0.402 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65.7 | -47.5 | 178.4 | -174.1 | 59.3 | 49.4 | 0 | 0 | 111.4 | E57 Y58 T63 R64 N65 | E57-Q61 VanDerWaalsContact O-CB 3.31Å; E57-Q61 WeakPolarHBondContact O-CB 3.16Å; E57-Q61 PolarHBondContact O-N 3.11Å; Y58-Q61 PolarHBondContact O-N 2.6Å; Q61-T63 VanDerWaalsContact C-N 3.31Å; Q61-T63 PolarHBondContact O-N 2.88Å; Q61-R64 PolarHBondContact O-N 2.85Å; Q61-R64 VanDerWaalsContact O-N 3.16Å; Q61-N65 PolarHBondContact NE2-OD1 3.41Å; Q61-N65 PolarHBondContact O-N 3.01Å; Q61-N65 PolarHBondContact O-ND2 2.04Å; Q61-N65 PolarHBondContact O-OD1 2.97Å |
| 62 | E | 97.8 | Very high | 97.4 | Very high | 29 Ų | 29 | 65.8 Ų | 65.8 | 14% | 0.136 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.6 | -41.2 | 178.3 | -71.7 | -59 | 98.3 | 0 | 0 | 111.4 | M44 Y58 R64 N65 V66 | M44-E62 HydrophobicContact CB-CB 4.08Å; M44-E62 HydrophobicContact CE-CB 4.4Å; M44-E62 HydrophobicContact CG-CB 4.06Å; Y58-E62 HydrophobicContact CD1-CG 4.32Å; Y58-E62 HydrophobicContact CD2-CG 4.28Å; Y58-E62 HydrophobicContact CE1-CG 3.93Å; Y58-E62 HydrophobicContact CE2-CG 3.89Å; Y58-E62 HydrophobicContact CG-CG 4.48Å; Y58-E62 WeakPolarHBondContact O-CB 3.38Å; Y58-E62 WeakPolarHBondContact O-CG 3.02Å; Y58-E62 PolarHBondContact O-N 3.28Å; E62-R64 PolarHBondContact O-N 3.11Å; E62-N65 PolarHBondContact O-N 3.25Å; E62-N65 PolarHBondContact OE1-ND2 3.49Å; E62-V66 WeakPolarHBondContact O-CG2 3.05Å; E62-V66 PolarHBondContact O-N 2.83Å; E62-V66 VanDerWaalsContact O-N 3.08Å |
| 63 | T | 98.4 | Very high | 97.5 | Very high | 12 Ų | 12 | 59.7 Ų | 59.7 | 7% | 0.074 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.2 | -42.7 | 174.8 | -62.6 | 0 | 0 | 0 | 0 | 111.9 | R43 M44 W59 Q61 V66 K67 | R43-T63 HydrophobicContact CG-CG2 4.14Å; M44-T63 PolarHBondContact N-OG1 2.94Å; W59-T63 VanDerWaalsContact O-CB 3.22Å; W59-T63 WeakPolarHBondContact O-CB 3.44Å; W59-T63 PolarHBondContact O-N 3.33Å; W59-T63 PolarHBondContact O-OG1 2.73Å; Q61-T63 VanDerWaalsContact C-N 3.31Å; Q61-T63 PolarHBondContact O-N 2.88Å; T63-V66 WeakPolarHBondContact O-CG2 3.32Å; T63-K67 HydrophobicContact CG2-CD 4.2Å; T63-K67 WeakPolarHBondContact O-CB 3.45Å; T63-K67 WeakPolarHBondContact O-CG 3.33Å; T63-K67 PolarHBondContact O-N 2.87Å; T63-K67 VanDerWaalsContact O-N 3.08Å |
| 64 | R | 98.3 | Very high | 97.6 | Very high | 147 Ų | 147 | 59 Ų | 59 | 56% | 0.555 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -63.9 | -42.7 | 176.5 | -73.7 | 177.6 | -138.4 | 158.9 | 2.6 | 111.5 | D60 Q61 E62 K67 A68 | D60-R64 VanDerWaalsContact O-CG 3.29Å; D60-R64 WeakPolarHBondContact O-CG 3.39Å; D60-R64 PolarHBondContact O-N 3.18Å; Q61-R64 PolarHBondContact O-N 2.85Å; Q61-R64 VanDerWaalsContact O-N 3.16Å; E62-R64 PolarHBondContact O-N 3.11Å; R64-K67 PolarHBondContact O-N 2.97Å; R64-A68 WeakPolarHBondContact O-CB 3.32Å; R64-A68 PolarHBondContact O-N 2.97Å |
| 65 | N | 97.3 | Very high | 97.7 | Very high | 68 Ų | 68 | 63 Ų | 63 | 36% | 0.364 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -59.6 | -51 | -179.9 | -70.1 | -15.8 | 0 | 0 | 0 | 111.4 | Q61 E62 K67 A68 Q69 | Q61-N65 PolarHBondContact NE2-OD1 3.41Å; Q61-N65 PolarHBondContact O-N 3.01Å; Q61-N65 PolarHBondContact O-ND2 2.04Å; Q61-N65 PolarHBondContact O-OD1 2.97Å; E62-N65 PolarHBondContact O-N 3.25Å; E62-N65 PolarHBondContact OE1-ND2 3.49Å; N65-K67 VanDerWaalsContact C-N 3.34Å; N65-K67 PolarHBondContact O-N 3.12Å; N65-A68 PolarHBondContact O-N 2.92Å; N65-Q69 PolarHBondContact O-N 2.96Å |
| 66 | V | 98 | Very high | 97.7 | Very high | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -69.1 | -30.7 | 179.5 | -63.9 | 0 | 0 | 0 | 0 | 113.2 | F21 A23 F35 M44 E62 T63 Q69 S70 | F21-V66 HydrophobicContact CE1-CB 3.97Å; F21-V66 HydrophobicContact CE1-CG1 4.49Å; A23-V66 HydrophobicContact CB-CG1 4.04Å; F35-V66 HydrophobicContact CB-CG2 3.99Å; F35-V66 HydrophobicContact CD1-CB 4.39Å; F35-V66 HydrophobicContact CD1-CG2 4.02Å; F35-V66 HydrophobicContact CD2-CB 4.48Å; F35-V66 HydrophobicContact CD2-CG2 3.34Å; F35-V66 HydrophobicContact CE1-CG2 4.35Å; F35-V66 HydrophobicContact CE2-CG2 3.7Å; F35-V66 HydrophobicContact CG-CB 4.23Å; F35-V66 HydrophobicContact CG-CG2 3.51Å; F35-V66 HydrophobicContact CZ-CG2 4.21Å; M44-V66 HydrophobicContact CE-CB 4.43Å; M44-V66 HydrophobicContact CE-CG1 3.38Å; M44-V66 HydrophobicContact CE-CG2 4.26Å; E62-V66 WeakPolarHBondContact O-CG2 3.05Å; E62-V66 PolarHBondContact O-N 2.83Å; E62-V66 VanDerWaalsContact O-N 3.08Å; T63-V66 WeakPolarHBondContact O-CG2 3.32Å; V66-Q69 PolarHBondContact O-N 2.92Å; V66-S70 WeakPolarHBondContact O-CB 3.35Å; V66-S70 PolarHBondContact O-N 3.42Å |
| 67 | K | 98.1 | Very high | 97.8 | Very high | 81 Ų | 81 | 61.1 Ų | 61.1 | 35% | 0.352 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66 | -43.8 | 171.8 | -77.6 | -174.6 | -179.9 | -174.6 | 0 | 111.5 | F35 Q42 T63 R64 N65 S70 Q71 | F35-K67 HydrophobicContact CE2-CG 4.23Å; F35-K67 HydrophobicContact CZ-CG 4.11Å; Q42-K67 WeakPolarHBondContact O-CE 3.34Å; Q42-K67 PolarHBondContact O-NZ 3.19Å; Q42-K67 VanDerWaalsContact O-NZ 3.13Å; T63-K67 HydrophobicContact CG2-CD 4.2Å; T63-K67 WeakPolarHBondContact O-CB 3.45Å; T63-K67 WeakPolarHBondContact O-CG 3.33Å; T63-K67 PolarHBondContact O-N 2.87Å; T63-K67 VanDerWaalsContact O-N 3.08Å; R64-K67 PolarHBondContact O-N 2.97Å; N65-K67 VanDerWaalsContact C-N 3.34Å; N65-K67 PolarHBondContact O-N 3.12Å; K67-S70 PolarHBondContact O-N 3.45Å; K67-S70 PolarHBondContact O-OG 2.66Å; K67-Q71 PolarHBondContact O-N 2.9Å |
| 68 | A | 98.2 | Very high | 97.7 | Very high | 59 Ų | 59 | 56.1 Ų | 56.1 | 49% | 0.488 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.9 | -47.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111 | R64 N65 S70 Q71 T72 | R64-A68 WeakPolarHBondContact O-CB 3.32Å; R64-A68 PolarHBondContact O-N 2.97Å; N65-A68 PolarHBondContact O-N 2.92Å; A68-S70 VanDerWaalsContact C-N 3.34Å; A68-S70 PolarHBondContact O-N 2.91Å; A68-Q71 PolarHBondContact O-N 2.86Å; A68-Q71 VanDerWaalsContact O-N 3.14Å; A68-T72 PolarHBondContact O-N 2.89Å; A68-T72 VanDerWaalsContact O-N 3.09Å; A68-T72 PolarHBondContact O-OG1 2.82Å |
| 69 | Q | 98 | Very high | 97.7 | Very high | 41 Ų | 41 | 57 Ų | 57 | 19% | 0.192 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.6 | -41.7 | 176.5 | -172.9 | 66.8 | 58.9 | 0 | 0 | 112.3 | Y8 F21 N65 V66 Q71 T72 D73 | Y8-Q69 HydrophobicContact CD2-CG 3.71Å; Y8-Q69 HydrophobicContact CE2-CB 4.37Å; Y8-Q69 HydrophobicContact CE2-CG 3.71Å; F21-Q69 HydrophobicContact CE2-CB 4.27Å; F21-Q69 HydrophobicContact CE2-CG 3.8Å; F21-Q69 HydrophobicContact CZ-CB 4.18Å; F21-Q69 HydrophobicContact CZ-CG 4Å; N65-Q69 PolarHBondContact O-N 2.96Å; V66-Q69 PolarHBondContact O-N 2.92Å; Q69-Q71 PolarHBondContact O-N 3.47Å; Q69-T72 WeakPolarHBondContact O-CB 3.43Å; Q69-T72 PolarHBondContact O-N 2.87Å; Q69-T72 VanDerWaalsContact O-N 3.08Å; Q69-D73 PolarHBondContact NE2-OD1 2.88Å; Q69-D73 PolarHBondContact O-N 2.8Å |
| 70 | S | 97.5 | Very high | 97.7 | Very high | 19 Ų | 19 | 55.6 Ų | 55.6 | 13% | 0.133 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61 | -32.4 | 178 | 72.1 | 0 | 0 | 0 | 0 | 113.3 | F21 V66 K67 A68 R74 | F21-S70 VanDerWaalsContact CG-CB 3.49Å; V66-S70 WeakPolarHBondContact O-CB 3.35Å; V66-S70 PolarHBondContact O-N 3.42Å; K67-S70 PolarHBondContact O-N 3.45Å; K67-S70 PolarHBondContact O-OG 2.66Å; A68-S70 VanDerWaalsContact C-N 3.34Å; A68-S70 PolarHBondContact O-N 2.91Å; S70-R74 WeakPolarHBondContact O-CB 3.13Å; S70-R74 PolarHBondContact O-N 2.86Å; S70-R74 VanDerWaalsContact O-N 3.13Å |
| 71 | Q | 97.7 | Very high | 97.6 | Very high | 108 Ų | 108 | 55.6 Ų | 55.6 | 51% | 0.505 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -73.8 | -37.8 | 173.6 | -62.3 | -49.7 | -61.8 | 0 | 0 | 112 | K67 A68 Q69 R74 V75 | K67-Q71 PolarHBondContact O-N 2.9Å; A68-Q71 PolarHBondContact O-N 2.86Å; A68-Q71 VanDerWaalsContact O-N 3.14Å; Q69-Q71 PolarHBondContact O-N 3.47Å; Q71-R74 WeakPolarHBondContact O-CB 3.46Å; Q71-R74 PolarHBondContact O-N 2.69Å; Q71-V75 PolarHBondContact O-N 3.25Å |
| 72 | T | 97.8 | Very high | 97.6 | Very high | 69 Ų | 69 | 53.6 Ų | 53.6 | 42% | 0.423 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.8 | -51.2 | 172.2 | -61.8 | 0 | 0 | 0 | 0 | 110.9 | A68 Q69 R74 V75 D76 | A68-T72 PolarHBondContact O-N 2.89Å; A68-T72 VanDerWaalsContact O-N 3.09Å; A68-T72 PolarHBondContact O-OG1 2.82Å; Q69-T72 WeakPolarHBondContact O-CB 3.43Å; Q69-T72 PolarHBondContact O-N 2.87Å; Q69-T72 VanDerWaalsContact O-N 3.08Å; T72-R74 VanDerWaalsContact C-N 3.26Å; T72-R74 PolarHBondContact O-N 3.33Å; T72-V75 PolarHBondContact O-N 3.41Å; T72-D76 WeakPolarHBondContact CG2-OD2 3.45Å; T72-D76 PolarHBondContact O-N 3.02Å |
| 73 | D | 97.3 | Very high | 97.6 | Very high | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.9 | -34.3 | -179.3 | -75.1 | 14.3 | 0 | 0 | 0 | 112.3 | S10 F21 Q69 V75 D76 L77 | S10-D73 WeakPolarHBondContact CB-OD2 3.2Å; S10-D73 VanDerWaalsContact OG-CB 3.26Å; S10-D73 WeakPolarHBondContact OG-CB 3.46Å; S10-D73 PolarHBondContact OG-OD2 2.79Å; F21-D73 WeakPolarHBondContact CE2-OD2 3.32Å; Q69-D73 PolarHBondContact NE2-OD1 2.88Å; Q69-D73 PolarHBondContact O-N 2.8Å; D73-V75 VanDerWaalsContact C-N 3.35Å; D73-D76 PolarHBondContact O-N 3.49Å; D73-L77 WeakPolarHBondContact O-CB 3.46Å; D73-L77 VanDerWaalsContact O-CG 3.3Å; D73-L77 WeakPolarHBondContact O-CG 3.28Å; D73-L77 PolarHBondContact O-N 2.99Å |
| 74 | R | 97 | Very high | 97.6 | Very high | 107 Ų | 107 | 57.4 Ų | 57.4 | 40% | 0.404 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.3 | -45.5 | 172.9 | 174 | -168 | 167.2 | 155.7 | 18 | 111.6 | E18 P19 S70 Q71 T72 | E18-R74 VanDerWaalsContact CD-NH2 3.33Å; E18-R74 IonicContact OE1-CZ 3.64Å; E18-R74 IonicContact OE1-NE 3.55Å; E18-R74 IonicContact OE1-NH1 3.64Å; E18-R74 PolarHBondContact OE1-NH1 3.1Å; E18-R74 IonicContact OE1-NH2 3.49Å; E18-R74 PolarHBondContact OE1-NH2 3.49Å; E18-R74 VanDerWaalsContact OE2-CD 3.28Å; E18-R74 WeakPolarHBondContact OE2-CD 3.44Å; E18-R74 IonicContact OE2-CZ 2.99Å; E18-R74 IonicContact OE2-NE 3.8Å; E18-R74 PolarHBondContact OE2-NE 3.49Å; E18-R74 VanDerWaalsContact OE2-NE 3.07Å; E18-R74 IonicContact OE2-NH1 3.94Å; E18-R74 PolarHBondContact OE2-NH1 3.25Å; E18-R74 VanDerWaalsContact OE2-NH1 3.16Å; E18-R74 IonicContact OE2-NH2 3.02Å; E18-R74 PolarHBondContact OE2-NH2 3.18Å; P19-R74 HydrophobicContact CG-CB 4.36Å; P19-R74 HydrophobicContact CG-CG 4.23Å; S70-R74 WeakPolarHBondContact O-CB 3.13Å; S70-R74 PolarHBondContact O-N 2.86Å; S70-R74 VanDerWaalsContact O-N 3.13Å; Q71-R74 WeakPolarHBondContact O-CB 3.46Å; Q71-R74 PolarHBondContact O-N 2.69Å; T72-R74 VanDerWaalsContact C-N 3.26Å; T72-R74 PolarHBondContact O-N 3.33Å |
| 75 | V | 97.4 | Very high | 97.5 | Very high | 95 Ų | 95 | 57.7 Ų | 57.7 | 58% | 0.576 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -69.3 | -40 | 177.9 | 175.6 | 0 | 0 | 0 | 0 | 110.5 | Q71 T72 D73 L77 G78 T79 | Q71-V75 PolarHBondContact O-N 3.25Å; T72-V75 PolarHBondContact O-N 3.41Å; D73-V75 VanDerWaalsContact C-N 3.35Å; V75-L77 PolarHBondContact O-N 2.74Å; V75-G78 PolarHBondContact O-N 2.96Å; V75-T79 PolarHBondContact O-N 3.28Å; V75-T79 PolarHBondContact O-OG1 3.48Å; V75-T79 VanDerWaalsContact O-OG1 3.09Å |
| 76 | D | 97.8 | Very high | 97.5 | Very high | 63 Ų | 63 | 57.3 Ų | 57.3 | 34% | 0.337 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66.8 | -36.6 | 179.9 | -72 | -19.3 | 0 | 0 | 0 | 112 | T72 D73 G78 T79 L80 I94 | T72-D76 WeakPolarHBondContact CG2-OD2 3.45Å; T72-D76 PolarHBondContact O-N 3.02Å; D73-D76 PolarHBondContact O-N 3.49Å; D76-G78 VanDerWaalsContact C-N 3.29Å; D76-G78 PolarHBondContact O-N 3.04Å; D76-T79 PolarHBondContact O-N 2.89Å; D76-T79 VanDerWaalsContact O-N 3.12Å; D76-L80 WeakPolarHBondContact O-CB 3.41Å; D76-L80 WeakPolarHBondContact O-CG 3.41Å; D76-L80 PolarHBondContact O-N 3.12Å; D76-I94 HydrophobicContact CB-CD1 3.74Å |
| 77 | L | 97.8 | Very high | 97.3 | Very high | 10 Ų | 10 | 61 Ų | 61 | 5% | 0.052 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -57.1 | -42.4 | 172.8 | -81.8 | 164.6 | 0 | 0 | 0 | 111.7 | P19 D73 V75 R81 H92 I94 Y117 | P19-L77 HydrophobicContact CB-CD1 3.59Å; P19-L77 HydrophobicContact CG-CD1 3.66Å; D73-L77 WeakPolarHBondContact O-CB 3.46Å; D73-L77 VanDerWaalsContact O-CG 3.3Å; D73-L77 WeakPolarHBondContact O-CG 3.28Å; D73-L77 PolarHBondContact O-N 2.99Å; V75-L77 PolarHBondContact O-N 2.74Å; L77-R81 WeakPolarHBondContact O-CB 3.26Å; L77-R81 PolarHBondContact O-N 3.2Å; L77-R81 VanDerWaalsContact O-N 3.12Å; L77-H92 HydrophobicContact CD2-CB 4.14Å; L77-I94 HydrophobicContact CB-CD1 4.44Å; L77-I94 HydrophobicContact CD2-CD1 4Å; L77-I94 HydrophobicContact CD2-CG1 3.8Å; L77-I94 HydrophobicContact CG-CD1 3.75Å; L77-I94 HydrophobicContact CG-CG1 4.11Å; L77-Y117 HydrophobicContact CD2-CE2 4.38Å |
| 78 | G | 96.1 | Very high | 96.9 | Very high | 38 Ų | 38 | 63.3 Ų | 63.3 | 39% | 0.392 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -67.8 | -39.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | V75 D76 G82 | V75-G78 PolarHBondContact O-N 2.96Å; D76-G78 VanDerWaalsContact C-N 3.29Å; D76-G78 PolarHBondContact O-N 3.04Å; G78-G82 PolarHBondContact O-N 3.39Å |
| 79 | T | 97.6 | Very high | 96.5 | Very high | 50 Ų | 50 | 67.5 Ų | 67.5 | 31% | 0.307 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -66.2 | -47.9 | 178.4 | -60.4 | 0 | 0 | 0 | 0 | 111.8 | V75 D76 G82 Y83 | V75-T79 PolarHBondContact O-N 3.28Å; V75-T79 PolarHBondContact O-OG1 3.48Å; V75-T79 VanDerWaalsContact O-OG1 3.09Å; D76-T79 PolarHBondContact O-N 2.89Å; D76-T79 VanDerWaalsContact O-N 3.12Å; T79-G82 WeakPolarHBondContact O-CA 3.5Å; T79-G82 PolarHBondContact O-N 3.11Å; T79-G82 VanDerWaalsContact O-N 3.15Å; T79-Y83 HydrophobicContact CG2-CD1 4.36Å; T79-Y83 HydrophobicContact CG2-CE1 3.79Å; T79-Y83 HydrophobicContact CG2-CE2 3.94Å; T79-Y83 PolarHBondContact O-N 2.6Å |
| 80 | L | 97.9 | Very high | 96.3 | Very high | 11 Ų | 11 | 66.4 Ų | 66.4 | 6% | 0.058 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63.8 | -43.9 | 179.4 | -69.2 | 174.7 | 0 | 0 | 0 | 111.1 | D76 G82 Y83 Y84 I94 Y117 Y122 | D76-L80 WeakPolarHBondContact O-CB 3.41Å; D76-L80 WeakPolarHBondContact O-CG 3.41Å; D76-L80 PolarHBondContact O-N 3.12Å; L80-G82 PolarHBondContact O-N 2.88Å; L80-Y83 HydrophobicContact CD2-CD2 4.19Å; L80-Y83 PolarHBondContact O-N 2.79Å; L80-Y84 HydrophobicContact CD2-CE2 4.38Å; L80-Y84 WeakPolarHBondContact O-CD2 3.37Å; L80-Y84 PolarHBondContact O-N 3.21Å; L80-I94 HydrophobicContact CD1-CD1 3.57Å; L80-I94 HydrophobicContact CD1-CG1 3.64Å; L80-Y117 HydrophobicContact CB-CD1 4.48Å; L80-Y117 HydrophobicContact CB-CD2 4.15Å; L80-Y117 HydrophobicContact CB-CE1 4.1Å; L80-Y117 HydrophobicContact CB-CE2 3.75Å; L80-Y117 HydrophobicContact CB-CG 4.49Å; L80-Y117 HydrophobicContact CD1-CD2 3.44Å; L80-Y117 VanDerWaalsContact CD1-CD2 3.44Å; L80-Y117 HydrophobicContact CD1-CE2 3.79Å; L80-Y117 HydrophobicContact CD1-CG 3.92Å; L80-Y117 HydrophobicContact CG-CD2 4.4Å; L80-Y117 HydrophobicContact CG-CE2 4.43Å; L80-Y122 HydrophobicContact CD2-CD1 4.49Å; L80-Y122 HydrophobicContact CD2-CD2 4.44Å; L80-Y122 HydrophobicContact CD2-CE1 3.78Å; L80-Y122 HydrophobicContact CD2-CE2 3.69Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.2Å |
| 81 | R | 96.8 | Very high | 96.2 | Very high | 73 Ų | 73 | 68.9 Ų | 68.9 | 28% | 0.275 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -52.1 | -42.6 | 173.1 | -173.1 | -175.6 | 68.6 | 169.8 | 12.2 | 111.6 | L77 N85 Q86 E88 | L77-R81 WeakPolarHBondContact O-CB 3.26Å; L77-R81 PolarHBondContact O-N 3.2Å; L77-R81 VanDerWaalsContact O-N 3.12Å; R81-N85 PolarHBondContact O-N 3.24Å; R81-N85 VanDerWaalsContact O-N 3.11Å; R81-Q86 HydrophobicContact CG-CB 3.86Å; R81-Q86 PolarHBondContact O-N 3.2Å; R81-E88 IonicContact CZ-OE1 3.43Å; R81-E88 IonicContact NH1-OE1 3.66Å; R81-E88 PolarHBondContact NH1-OE1 3.39Å; R81-E88 IonicContact NH2-OE1 2.74Å; R81-E88 PolarHBondContact NH2-OE1 2.9Å |
| 82 | G | 97 | Very high | 96.2 | Very high | 44 Ų | 44 | 64.5 Ų | 64.5 | 45% | 0.454 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.5 | -45 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | G78 T79 L80 Y84 N85 | G78-G82 PolarHBondContact O-N 3.39Å; T79-G82 WeakPolarHBondContact O-CA 3.5Å; T79-G82 PolarHBondContact O-N 3.11Å; T79-G82 VanDerWaalsContact O-N 3.15Å; L80-G82 PolarHBondContact O-N 2.88Å; G82-Y84 VanDerWaalsContact C-N 3.26Å; G82-Y84 PolarHBondContact O-N 3.28Å; G82-N85 PolarHBondContact O-N 3.13Å; G82-N85 VanDerWaalsContact O-N 3.16Å; G82-N85 PolarHBondContact O-OD1 2.93Å |
| 83 | Y | 97.9 | Very high | 96.3 | Very high | 55 Ų | 55 | 62.9 Ų | 62.9 | 22% | 0.216 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60 | -36 | 177.9 | -70.1 | -7 | 0 | 0 | 0 | 113 | T79 L80 A138 I141 K145 | T79-Y83 HydrophobicContact CG2-CD1 4.36Å; T79-Y83 HydrophobicContact CG2-CE1 3.79Å; T79-Y83 HydrophobicContact CG2-CE2 3.94Å; T79-Y83 PolarHBondContact O-N 2.6Å; L80-Y83 HydrophobicContact CD2-CD2 4.19Å; L80-Y83 PolarHBondContact O-N 2.79Å; Y83-A138 HydrophobicContact CD2-CB 4.48Å; Y83-I141 HydrophobicContact CD1-CD1 4.22Å; Y83-I141 HydrophobicContact CD2-CD1 4.49Å; Y83-I141 HydrophobicContact CE1-CD1 4.32Å; Y83-I141 HydrophobicContact CE1-CG2 4.14Å; Y83-I141 HydrophobicContact CE2-CB 4.12Å; Y83-I141 HydrophobicContact CE2-CG2 4.09Å; Y83-I141 HydrophobicContact CG-CD1 4.31Å; Y83-I141 WeakPolarHBondContact OH-CG2 3.41Å; Y83-K145 PolarHBondContact OH-NZ 3.12Å |
| 84 | Y | 97.8 | Very high | 96.3 | Very high | 67 Ų | 67 | 63.2 Ų | 63.2 | 26% | 0.263 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | 2.9 | 179.5 | -67.6 | -74.5 | 0 | 0 | 0 | 114 | L80 G82 Q86 Y117 Y122 D136 A138 | L80-Y84 HydrophobicContact CD2-CE2 4.38Å; L80-Y84 WeakPolarHBondContact O-CD2 3.37Å; L80-Y84 PolarHBondContact O-N 3.21Å; G82-Y84 VanDerWaalsContact C-N 3.26Å; G82-Y84 PolarHBondContact O-N 3.28Å; Y84-Q86 PolarHBondContact O-N 2.71Å; Y84-Y117 AromaticContact CD2-CD1 3.68Å; Y84-Y117 HydrophobicContact CD2-CD1 3.68Å; Y84-Y117 AromaticContact CD2-CE1 3.44Å; Y84-Y117 HydrophobicContact CD2-CE1 3.44Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.44Å; Y84-Y117 AromaticContact CE2-CD1 3.41Å; Y84-Y117 HydrophobicContact CE2-CD1 3.41Å; Y84-Y117 VanDerWaalsContact CE2-CD1 3.41Å; Y84-Y117 AromaticContact CE2-CE1 3.71Å; Y84-Y117 HydrophobicContact CE2-CE1 3.71Å; Y84-Y117 HydrophobicContact CE2-CG 4.36Å; Y84-Y117 HydrophobicContact CG-CE1 4.34Å; Y84-Y122 HydrophobicContact CE2-CE2 4.17Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.46Å; Y84-Y122 VanDerWaalsContact OH-CE2 3.3Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.39Å; Y84-D136 VanDerWaalsContact CE1-OD2 3.31Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.3Å; Y84-D136 PolarHBondContact OH-OD1 3.15Å; Y84-D136 PolarHBondContact OH-OD2 3.27Å; Y84-A138 HydrophobicContact CD1-CB 4.22Å; Y84-A138 HydrophobicContact CE1-CB 3.62Å; Y84-A138 HydrophobicContact CE2-CB 3.97Å; Y84-A138 VanDerWaalsContact CZ-CB 3.48Å |
| 85 | N | 96.8 | Very high | 96.4 | Very high | 152 Ų | 152 | 62 Ų | 62 | 81% | 0.813 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 40.5 | -176.5 | -56.3 | -60.9 | 0 | 0 | 0 | 113.2 | R81 G82 | R81-N85 PolarHBondContact O-N 3.24Å; R81-N85 VanDerWaalsContact O-N 3.11Å; G82-N85 PolarHBondContact O-N 3.13Å; G82-N85 VanDerWaalsContact O-N 3.16Å; G82-N85 PolarHBondContact O-OD1 2.93Å |
| 86 | Q | 96.7 | Very high | 96.5 | Very high | 60 Ų | 60 | 57.8 Ų | 57.8 | 28% | 0.28 | 32% | 0.324 | S | S | . | . | trans | -85.6 | 155 | -178.3 | -70.9 | 165.1 | -38.2 | 0 | 0 | 111.8 | R81 Y84 H92 Y117 D118 | R81-Q86 HydrophobicContact CG-CB 3.86Å; R81-Q86 PolarHBondContact O-N 3.2Å; Y84-Q86 PolarHBondContact O-N 2.71Å; Q86-H92 PolarHBondContact NE2-CE1 3.29Å; Q86-H92 VanDerWaalsContact NE2-CE1 3.34Å; Q86-H92 PolarHBondContact OE1-CE1 3.04Å; Q86-Y117 PolarHBondContact OE1-OH 3.42Å; Q86-D118 PolarHBondContact NE2-OD2 2.92Å | ||
| 87 | S | 93.9 | Very high | 96.5 | Very high | 78 Ų | 78 | 55.9 Ų | 55.9 | 55% | 0.545 | 31% | 0.314 | S | S | . | . | trans | -72.5 | 158.7 | -179.3 | 63.1 | 0 | 0 | 0 | 0 | 112.7 | D89 | S87-D89 VanDerWaalsContact C-N 3.3Å; S87-D89 PolarHBondContact O-N 3.4Å | ||
| 88 | E | 89.6 | Confident | 96.6 | Very high | 129 Ų | 129 | 56.5 Ų | 56.5 | 60% | 0.603 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -25 | -179.7 | -55.8 | -151.6 | 122.6 | 0 | 0 | 114 | P14 R81 G90 | P14-E88 WeakPolarHBondContact CB-O 3.43Å; P14-E88 VanDerWaalsContact CG-O 3.31Å; P14-E88 WeakPolarHBondContact CG-O 3.19Å; R81-E88 IonicContact CZ-OE1 3.43Å; R81-E88 IonicContact NH1-OE1 3.66Å; R81-E88 PolarHBondContact NH1-OE1 3.39Å; R81-E88 IonicContact NH2-OE1 2.74Å; R81-E88 PolarHBondContact NH2-OE1 2.9Å; E88-G90 VanDerWaalsContact C-N 3.26Å; E88-G90 PolarHBondContact O-N 2.85Å |
| 89 | D | 90.7 | Very high | 96.7 | Very high | 147 Ų | 147 | 54.7 Ų | 54.7 | 79% | 0.786 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -7.7 | -177.7 | -57.6 | -38.3 | 0 | 0 | 0 | 112.9 | S87 | S87-D89 VanDerWaalsContact C-N 3.3Å; S87-D89 PolarHBondContact O-N 3.4Å |
| 90 | G | 92.5 | Very high | 96.8 | Very high | 18 Ų | 18 | 52.3 Ų | 52.3 | 19% | 0.186 | 28% | 0.282 | C | S | . | . | trans | -74.9 | 131.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | P14 E88 H92 | P14-G90 WeakPolarHBondContact CG-O 3.49Å; E88-G90 VanDerWaalsContact C-N 3.26Å; E88-G90 PolarHBondContact O-N 2.85Å; G90-H92 PolarHBondContact O-CD2 2.85Å | ||
| 91 | S | 96.8 | Very high | 96.8 | Very high | 72 Ų | 72 | 53 Ų | 53 | 50% | 0.503 | 29% | 0.286 | S | S | . | . | trans | -83.2 | 130.2 | 165.5 | -178 | 0 | 0 | 0 | 0 | 109.1 | S12 | S12-S91 WeakPolarHBondContact O-CB 3.22Å; S12-S91 PolarHBondContact O-OG 2.84Å | ||
| 92 | H | 98.2 | Very high | 96.9 | Very high | 15 Ų | 15 | 49.6 Ų | 49.6 | 7% | 0.069 | 27% | 0.273 | C | S | . | . | trans | -130 | 151.8 | -174.5 | -64 | -70.7 | 0 | 0 | 0 | 110.5 | V11 S12 L77 Q86 G90 Y117 D118 | V11-H92 WeakPolarHBondContact CA-O 3.04Å; S12-H92 PolarHBondContact N-O 3.3Å; S12-H92 PolarHBondContact OG-N 2.82Å; S12-H92 PolarHBondContact OG-O 2.82Å; L77-H92 HydrophobicContact CD2-CB 4.14Å; Q86-H92 PolarHBondContact NE2-CE1 3.29Å; Q86-H92 VanDerWaalsContact NE2-CE1 3.34Å; Q86-H92 PolarHBondContact OE1-CE1 3.04Å; G90-H92 PolarHBondContact O-CD2 2.85Å; H92-Y117 HydrophobicContact CB-CE2 3.88Å; H92-Y117 WeakPolarHBondContact CB-OH 3.37Å; H92-Y117 VanDerWaalsContact CG-OH 3.26Å; H92-Y117 AromaticContact ND1-CZ 4Å; H92-Y117 PolarHBondContact ND1-OH 2.91Å; H92-D118 WeakPolarHBondContact CA-OD1 3.46Å; H92-D118 WeakPolarHBondContact CB-OD1 3.42Å; H92-D118 IonicContact CE1-OD2 3.54Å; H92-D118 IonicContact CG-OD1 3.59Å; H92-D118 IonicContact CG-OD2 3.15Å; H92-D118 IonicContact ND1-OD1 3.53Å; H92-D118 IonicContact ND1-OD2 3.27Å; H92-D118 PolarHBondContact ND1-OD2 3.49Å | ||
| 93 | T | 98.6 | Very high | 96.9 | Very high | 36 Ų | 36 | 47.9 Ų | 47.9 | 22% | 0.221 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 128.6 | -176.4 | -53.9 | 0 | 0 | 0 | 0 | 111.5 | T9 S10 V11 Q95 Y117 D118 | T9-T93 HydrophobicContact CG2-CG2 3.96Å; S10-T93 CarbonylContact O-C 3.58Å; S10-T93 VanDerWaalsContact O-CA 3.28Å; S10-T93 WeakPolarHBondContact O-CA 2.97Å; V11-T93 HydrophobicContact CG2-CG2 4.07Å; T93-Q95 HydrophobicContact CG2-CG 3.82Å; T93-Y117 CarbonylContact O-C 3.55Å; T93-Y117 WeakPolarHBondContact O-CA 3.26Å; T93-Y117 WeakPolarHBondContact O-CD2 3.14Å; T93-D118 PolarHBondContact N-OD1 3.31Å; T93-D118 PolarHBondContact O-N 3.08Å |
| 94 | I | 98.8 | Very high | 96.7 | Very high | 8 Ų | 8 | 51 Ų | 51 | 4% | 0.041 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 134.6 | 162.1 | -64.8 | 173.4 | 0 | 0 | 0 | 107.9 | T9 S10 D76 L77 L80 I96 A116 Y117 | T9-I94 WeakPolarHBondContact CA-O 3.33Å; S10-I94 PolarHBondContact N-O 3.34Å; S10-I94 PolarHBondContact O-N 2.79Å; D76-I94 HydrophobicContact CB-CD1 3.74Å; L77-I94 HydrophobicContact CB-CD1 4.44Å; L77-I94 HydrophobicContact CD2-CD1 4Å; L77-I94 HydrophobicContact CD2-CG1 3.8Å; L77-I94 HydrophobicContact CG-CD1 3.75Å; L77-I94 HydrophobicContact CG-CG1 4.11Å; L80-I94 HydrophobicContact CD1-CD1 3.57Å; L80-I94 HydrophobicContact CD1-CG1 3.64Å; I94-I96 HydrophobicContact CG2-CD1 4.29Å; I94-I96 HydrophobicContact CG2-CG1 4.07Å; I94-A116 WeakPolarHBondContact CA-O 3.45Å; I94-Y117 HydrophobicContact CG1-CD2 3.93Å; I94-Y117 HydrophobicContact CG1-CE2 4.32Å |
| 95 | Q | 98.8 | Very high | 96.6 | Very high | 82 Ų | 82 | 52.2 Ų | 52.2 | 38% | 0.383 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 138.1 | 170.4 | -56.9 | 178 | -89.3 | 0 | 0 | 109.3 | Y8 T9 T93 D115 A116 | Y8-Q95 WeakPolarHBondContact O-CA 3.32Å; T9-Q95 HydrophobicContact CG2-CG 4.35Å; T93-Q95 HydrophobicContact CG2-CG 3.82Å; Q95-D115 CarbonylContact O-C 3.56Å; Q95-D115 WeakPolarHBondContact O-CA 3.5Å; Q95-A116 HydrophobicContact CB-CB 4.33Å; Q95-A116 PolarHBondContact N-O 3.33Å; Q95-A116 PolarHBondContact O-N 3.08Å |
| 96 | I | 98.8 | Very high | 96.4 | Very high | 5 Ų | 5 | 45.9 Ų | 45.9 | 3% | 0.026 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 132 | 178.8 | -59.7 | 164.2 | 0 | 0 | 0 | 108 | F7 Y8 I94 Y98 Q114 D115 | F7-I96 CarbonylContact C-O 3.53Å; F7-I96 WeakPolarHBondContact CA-O 3.44Å; Y8-I96 HydrophobicContact CD2-CD1 4.47Å; Y8-I96 PolarHBondContact N-O 2.74Å; Y8-I96 PolarHBondContact O-N 3.09Å; I94-I96 HydrophobicContact CG2-CD1 4.29Å; I94-I96 HydrophobicContact CG2-CG1 4.07Å; I96-Y98 HydrophobicContact CG2-CD1 4.04Å; I96-Q114 CarbonylContact C-O 3.56Å; I96-Q114 WeakPolarHBondContact CA-O 3.31Å; I96-D115 HydrophobicContact CG1-CB 4.43Å |
| 97 | M | 98.8 | Very high | 96.4 | Very high | 24 Ų | 24 | 51 Ų | 51 | 12% | 0.118 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 128.9 | 167.9 | -176.1 | -79.5 | -64.7 | 0 | 0 | 109.3 | R5 Y6 F7 Y112 R113 Q114 | R5-M97 PolarHBondContact NH1-SD 3.27Å; Y6-M97 WeakPolarHBondContact O-CA 3.01Å; F7-M97 HydrophobicContact CD1-CB 3.97Å; F7-M97 HydrophobicContact CD1-CG 3.69Å; F7-M97 HydrophobicContact CE1-CB 4.09Å; F7-M97 HydrophobicContact CE1-CG 3.37Å; F7-M97 HydrophobicContact CZ-CG 4.01Å; M97-Y112 HydrophobicContact CE-CD1 4.27Å; M97-Y112 HydrophobicContact CE-CG 4.36Å; M97-R113 CarbonylContact O-C 3.48Å; M97-R113 WeakPolarHBondContact O-CA 3.47Å; M97-Q114 HydrophobicContact CE-CB 4.31Å; M97-Q114 HydrophobicContact CE-CG 4.09Å; M97-Q114 PolarHBondContact N-O 2.91Å; M97-Q114 PolarHBondContact O-N 3.23Å |
| 98 | Y | 98.8 | Very high | 96.6 | Very high | 22 Ų | 22 | 50.4 Ų | 50.4 | 9% | 0.086 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 160.4 | 173 | 70.8 | -83.8 | 0 | 0 | 0 | 111.3 | R5 Y6 Y8 I96 Y112 Y158 | R5-Y98 WeakPolarHBondContact CA-O 3.44Å; Y6-Y98 VanDerWaalsContact CB-CE1 3.5Å; Y6-Y98 VanDerWaalsContact CB-CZ 3.47Å; Y6-Y98 AromaticContact CD2-CE2 3.95Å; Y6-Y98 HydrophobicContact CD2-CE2 3.95Å; Y6-Y98 HydrophobicContact CG-CE1 4.35Å; Y6-Y98 HydrophobicContact CG-CE2 4.23Å; Y6-Y98 AromaticContact CG-CZ 3.82Å; Y6-Y98 PolarHBondContact N-O 2.82Å; Y6-Y98 PolarHBondContact O-N 2.82Å; Y6-Y98 VanDerWaalsContact O-N 3.11Å; Y8-Y98 HydrophobicContact CD2-CE1 4.04Å; Y8-Y98 HydrophobicContact CE1-CE1 4.1Å; Y8-Y98 AromaticContact CE2-CE1 3.5Å; Y8-Y98 HydrophobicContact CE2-CE1 3.5Å; Y8-Y98 AromaticContact CZ-CE1 3.58Å; Y8-Y98 AromaticContact CZ-CZ 3.87Å; Y8-Y98 VanDerWaalsContact CZ-OH 3.25Å; Y8-Y98 PolarHBondContact OH-OH 2.89Å; I96-Y98 HydrophobicContact CG2-CD1 4.04Å; Y98-Y112 WeakPolarHBondContact CA-O 3.24Å; Y98-Y112 VanDerWaalsContact CB-O 3.23Å; Y98-Y112 WeakPolarHBondContact CB-O 3.17Å; Y98-Y158 HydrophobicContact CD2-CD1 4.48Å; Y98-Y158 AromaticContact CD2-CE1 3.71Å; Y98-Y158 HydrophobicContact CD2-CE1 3.71Å; Y98-Y158 AromaticContact CE2-CE1 3.66Å; Y98-Y158 HydrophobicContact CE2-CE1 3.66Å; Y98-Y158 AromaticContact CE2-CZ 3.81Å |
| 99 | G | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 153.4 | -171.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | M4 G111 Y112 L159 | M4-G99 CarbonylContact O-C 3.58Å; M4-G99 WeakPolarHBondContact O-CA 3.47Å; G99-G111 CarbonylContact O-C 3.56Å; G99-G111 WeakPolarHBondContact O-CA 3.17Å; G99-Y112 PolarHBondContact N-O 3.23Å; G99-Y112 VanDerWaalsContact N-O 3.12Å; G99-Y112 WeakPolarHBondContact O-CD2 3.28Å; G99-Y112 PolarHBondContact O-N 3.26Å; G99-L159 WeakPolarHBondContact O-CD2 3.4Å |
| 100 | C | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 152.1 | -172.3 | 55.5 | 0 | 0 | 0 | 0 | 111.5 | S3 M4 F108 R110 C163 | S3-C100 WeakPolarHBondContact CA-O 3.42Å; M4-C100 PolarHBondContact N-O 3.25Å; M4-C100 PolarHBondContact O-N 2.89Å; C100-F108 HydrophobicContact CB-CD2 4.49Å; C100-F108 HydrophobicContact CB-CE2 4.24Å; C100-R110 CarbonylContact C-O 3.55Å; C100-R110 VanDerWaalsContact CA-O 3.25Å; C100-R110 WeakPolarHBondContact CA-O 3.47Å; C100-C163 HydrophobicContact CB-CB 3.92Å; C100-C163 WeakPolarHBondContact CB-SG 3.33Å; C100-C163 PolarHBondContact N-SG 2.87Å; C100-C163 WeakPolarHBondContact SG-CB 3.39Å; C100-C163 PolarHBondContact SG-O 3.16Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 3.28Å |
| 101 | D | 98.6 | Very high | 97.7 | Very high | 25 Ų | 25 | 45.6 Ų | 45.6 | 13% | 0.134 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 143.1 | 169.5 | -54.7 | -19.2 | 0 | 0 | 0 | 108.7 | H2 S3 R5 L109 R110 Y112 | H2-D101 WeakPolarHBondContact O-CA 3.43Å; S3-D101 VanDerWaalsContact CB-OD1 3.27Å; S3-D101 WeakPolarHBondContact CB-OD1 3.44Å; R5-D101 IonicContact CZ-OD1 3.55Å; R5-D101 IonicContact NE-OD1 3.39Å; R5-D101 IonicContact NH2-OD1 3.94Å; R5-D101 PolarHBondContact NH2-OD1 3.43Å; R5-D101 IonicContact NH2-OD2 2.74Å; D101-L109 HydrophobicContact CB-CB 4.41Å; D101-L109 WeakPolarHBondContact O-CB 3.39Å; D101-L109 PolarHBondContact O-N 2.73Å; D101-R110 HydrophobicContact CB-CB 4.36Å; D101-R110 PolarHBondContact N-O 2.58Å; D101-R110 PolarHBondContact O-N 2.9Å; D101-Y112 WeakPolarHBondContact OD1-CE2 3.46Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.45Å; D101-Y112 VanDerWaalsContact OD2-CZ 3.31Å; D101-Y112 PolarHBondContact OD2-OH 3.37Å |
| 102 | V | 98.4 | Very high | 97.7 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.012 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 143.6 | 173.5 | -62.1 | 0 | 0 | 0 | 0 | 111.5 | S1 H2 R107 V164 L167 | S1-V102 VanDerWaalsContact CA-O 3.23Å; S1-V102 WeakPolarHBondContact CA-O 3.43Å; S1-V102 WeakPolarHBondContact CB-O 3.32Å; H2-V102 HydrophobicContact CB-CG2 4.02Å; H2-V102 PolarHBondContact N-O 2.96Å; H2-V102 PolarHBondContact O-N 3.05Å; V102-R107 CarbonylContact C-O 3.57Å; V102-R107 WeakPolarHBondContact CA-O 3.37Å; V102-R107 WeakPolarHBondContact CB-O 3.16Å; V102-V164 HydrophobicContact CG1-CB 4.49Å; V102-V164 HydrophobicContact CG1-CG1 4.01Å; V102-V164 HydrophobicContact CG1-CG2 4.14Å; V102-L167 HydrophobicContact CB-CD2 4.38Å; V102-L167 HydrophobicContact CG1-CD2 3.99Å; V102-L167 HydrophobicContact CG2-CD2 3.64Å; V102-L167 HydrophobicContact CG2-CG 4.29Å |
| 103 | G | 97.4 | Very high | 97.8 | Very high | 8 Ų | 8 | 44.3 Ų | 44.3 | 8% | 0.082 | 22% | 0.221 | C | C | . | . | trans | -67.7 | 174.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | D105 G106 R107 | G103-D105 PolarHBondContact O-N 3.16Å; G103-G106 WeakPolarHBondContact O-CA 3.41Å; G103-G106 PolarHBondContact O-N 2.84Å; G103-R107 PolarHBondContact N-O 3.09Å | ||
| 104 | P | 94.4 | Very high | 97.8 | Very high | 120 Ų | 120 | 46.7 Ų | 46.7 | 78% | 0.779 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -25.1 | 174.5 | -21.7 | 33.7 | 0 | 0 | 0 | 113.7 | S1 G106 | S1-P104 WeakPolarHBondContact OG-CD 3.49Å; P104-G106 PolarHBondContact O-N 2.82Å |
| 105 | D | 93.9 | Very high | 97.8 | Very high | 94 Ų | 94 | 47.1 Ų | 47.1 | 50% | 0.503 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | 5.4 | 173.7 | 67.1 | -13.9 | 0 | 0 | 0 | 113 | G103 R107 | G103-D105 PolarHBondContact O-N 3.16Å; D105-R107 PolarHBondContact O-N 3.42Å; D105-R107 WeakPolarHBondContact OD1-CB 3.23Å; D105-R107 PolarHBondContact OD1-N 2.87Å; D105-R107 VanDerWaalsContact OD1-N 3.11Å; D105-R107 WeakPolarHBondContact OD2-CD 3.38Å; D105-R107 WeakPolarHBondContact OD2-CG 3.32Å; D105-R107 IonicContact OD2-CZ 2.75Å; D105-R107 IonicContact OD2-NE 3.4Å; D105-R107 IonicContact OD2-NH1 2.99Å; D105-R107 PolarHBondContact OD2-NH1 2.89Å |
| 106 | G | 93.4 | Very high | 97.8 | Very high | 18 Ų | 18 | 44.1 Ų | 44.1 | 19% | 0.186 | 22% | 0.221 | C | C | . | . | S | Bend | trans | 70.4 | 6.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114 | G103 P104 R168 | G103-G106 WeakPolarHBondContact O-CA 3.41Å; G103-G106 PolarHBondContact O-N 2.84Å; P104-G106 PolarHBondContact O-N 2.82Å; G106-R168 PolarHBondContact O-NE 3.41Å; G106-R168 PolarHBondContact O-NH2 2.84Å |
| 107 | R | 96.9 | Very high | 97.8 | Very high | 168 Ų | 168 | 44.4 Ų | 44.4 | 63% | 0.634 | 22% | 0.222 | S | C | * | . | trans | -81 | 151.8 | 178.7 | -64.5 | -171.3 | -173.1 | 129.1 | -9 | 111.4 | V102 G103 D105 L109 | V102-R107 CarbonylContact C-O 3.57Å; V102-R107 WeakPolarHBondContact CA-O 3.37Å; V102-R107 WeakPolarHBondContact CB-O 3.16Å; G103-R107 PolarHBondContact N-O 3.09Å; D105-R107 PolarHBondContact O-N 3.42Å; D105-R107 WeakPolarHBondContact OD1-CB 3.23Å; D105-R107 PolarHBondContact OD1-N 2.87Å; D105-R107 VanDerWaalsContact OD1-N 3.11Å; D105-R107 WeakPolarHBondContact OD2-CD 3.38Å; D105-R107 WeakPolarHBondContact OD2-CG 3.32Å; D105-R107 IonicContact OD2-CZ 2.75Å; D105-R107 IonicContact OD2-NE 3.4Å; D105-R107 IonicContact OD2-NH1 2.99Å; D105-R107 PolarHBondContact OD2-NH1 2.89Å; R107-L109 PolarHBondContact O-N 3.44Å | ||
| 108 | F | 98.4 | Very high | 97.7 | Very high | 65 Ų | 65 | 46.1 Ų | 46.1 | 29% | 0.285 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -52.3 | 125.5 | 174.7 | -179.6 | -99.8 | 0 | 0 | 0 | 110.6 | C100 R110 L129 L159 E160 V164 | C100-F108 HydrophobicContact CB-CD2 4.49Å; C100-F108 HydrophobicContact CB-CE2 4.24Å; F108-R110 VanDerWaalsContact CE2-C 3.43Å; F108-R110 WeakPolarHBondContact CE2-O 3.36Å; F108-L129 HydrophobicContact CE1-CD1 4.02Å; F108-L129 HydrophobicContact CZ-CD1 3.67Å; F108-L159 WeakPolarHBondContact CD2-O 3.12Å; F108-L159 HydrophobicContact CE2-CB 4.35Å; F108-L159 WeakPolarHBondContact CE2-O 3.15Å; F108-E160 HydrophobicContact CD1-CG 4.27Å; F108-E160 HydrophobicContact CD2-CG 4.47Å; F108-E160 HydrophobicContact CE1-CG 4.17Å; F108-E160 HydrophobicContact CE2-CG 4.37Å; F108-E160 HydrophobicContact CG-CG 4.41Å; F108-E160 HydrophobicContact CZ-CG 4.22Å; F108-V164 HydrophobicContact CB-CG2 4.04Å; F108-V164 HydrophobicContact CD2-CG2 3.71Å; F108-V164 HydrophobicContact CG-CG2 4.37Å |
| 109 | L | 98 | Very high | 97.7 | Very high | 113 Ų | 113 | 47.8 Ų | 47.8 | 59% | 0.592 | 26% | 0.256 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.1 | -46.3 | 176.1 | -179.3 | 63.3 | 0 | 0 | 0 | 110.7 | D101 R107 | D101-L109 HydrophobicContact CB-CB 4.41Å; D101-L109 WeakPolarHBondContact O-CB 3.39Å; D101-L109 PolarHBondContact O-N 2.73Å; R107-L109 PolarHBondContact O-N 3.44Å |
| 110 | R | 98.1 | Very high | 97.7 | Very high | 77 Ų | 77 | 55.4 Ų | 55.4 | 29% | 0.291 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.5 | 149.4 | -174.4 | -173.6 | 167.6 | 175.7 | 115.5 | -0.3 | 112.1 | C100 D101 F108 Y112 E127 | C100-R110 CarbonylContact C-O 3.55Å; C100-R110 VanDerWaalsContact CA-O 3.25Å; C100-R110 WeakPolarHBondContact CA-O 3.47Å; D101-R110 HydrophobicContact CB-CB 4.36Å; D101-R110 PolarHBondContact N-O 2.58Å; D101-R110 PolarHBondContact O-N 2.9Å; F108-R110 VanDerWaalsContact CE2-C 3.43Å; F108-R110 WeakPolarHBondContact CE2-O 3.36Å; R110-Y112 HydrophobicContact CB-CE2 4.15Å; R110-Y112 VanDerWaalsContact CD-CZ 3.43Å; R110-Y112 WeakPolarHBondContact CD-OH 3.5Å; R110-Y112 HydrophobicContact CG-CD2 4.44Å; R110-Y112 HydrophobicContact CG-CE1 4.31Å; R110-Y112 HydrophobicContact CG-CE2 3.74Å; R110-Y112 VanDerWaalsContact NE-CE1 3.33Å; R110-Y112 PolarHBondContact NE-OH 3.38Å; R110-E127 VanDerWaalsContact CZ-CD 3.44Å; R110-E127 IonicContact CZ-OE1 2.87Å; R110-E127 IonicContact CZ-OE2 3.92Å; R110-E127 IonicContact NH1-OE1 3.98Å; R110-E127 PolarHBondContact NH1-OE1 3.3Å; R110-E127 IonicContact NH1-OE2 3.03Å; R110-E127 PolarHBondContact NH1-OE2 2.91Å; R110-E127 VanDerWaalsContact NH2-CD 3.27Å; R110-E127 IonicContact NH2-OE1 2.81Å; R110-E127 PolarHBondContact NH2-OE1 2.95Å |
| 111 | G | 98.4 | Very high | 97.7 | Very high | 4 Ų | 4 | 61.9 Ų | 61.9 | 4% | 0.041 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 154.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | G99 | G99-G111 CarbonylContact O-C 3.56Å; G99-G111 WeakPolarHBondContact O-CA 3.17Å |
| 112 | Y | 98.6 | Very high | 97.7 | Very high | 37 Ų | 37 | 61.2 Ų | 61.2 | 15% | 0.145 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 139.9 | -176.9 | -56.2 | -97.3 | 0 | 0 | 0 | 110.4 | R5 M97 Y98 G99 D101 R110 | R5-Y112 PolarHBondContact NH2-OH 3.44Å; M97-Y112 HydrophobicContact CE-CD1 4.27Å; M97-Y112 HydrophobicContact CE-CG 4.36Å; Y98-Y112 WeakPolarHBondContact CA-O 3.24Å; Y98-Y112 VanDerWaalsContact CB-O 3.23Å; Y98-Y112 WeakPolarHBondContact CB-O 3.17Å; G99-Y112 PolarHBondContact N-O 3.23Å; G99-Y112 VanDerWaalsContact N-O 3.12Å; G99-Y112 WeakPolarHBondContact O-CD2 3.28Å; G99-Y112 PolarHBondContact O-N 3.26Å; D101-Y112 WeakPolarHBondContact OD1-CE2 3.46Å; D101-Y112 WeakPolarHBondContact OD2-CE2 3.45Å; D101-Y112 VanDerWaalsContact OD2-CZ 3.31Å; D101-Y112 PolarHBondContact OD2-OH 3.37Å; R110-Y112 HydrophobicContact CB-CE2 4.15Å; R110-Y112 VanDerWaalsContact CD-CZ 3.43Å; R110-Y112 WeakPolarHBondContact CD-OH 3.5Å; R110-Y112 HydrophobicContact CG-CD2 4.44Å; R110-Y112 HydrophobicContact CG-CE1 4.31Å; R110-Y112 HydrophobicContact CG-CE2 3.74Å; R110-Y112 VanDerWaalsContact NE-CE1 3.33Å; R110-Y112 PolarHBondContact NE-OH 3.38Å |
| 113 | R | 98.6 | Very high | 97.7 | Very high | 22 Ų | 22 | 61.2 Ų | 61.2 | 8% | 0.083 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 114.3 | 162 | 173.7 | 64.2 | -170.2 | -146 | 1.5 | 107.6 | M97 D115 A124 L125 W132 | M97-R113 CarbonylContact O-C 3.48Å; M97-R113 WeakPolarHBondContact O-CA 3.47Å; R113-D115 IonicContact CZ-OD1 3.69Å; R113-D115 IonicContact CZ-OD2 3.07Å; R113-D115 IonicContact NE-OD1 3.65Å; R113-D115 PolarHBondContact NE-OD1 3.3Å; R113-D115 IonicContact NE-OD2 3.01Å; R113-D115 IonicContact NH2-OD1 2.86Å; R113-D115 PolarHBondContact NH2-OD1 3.48Å; R113-D115 IonicContact NH2-OD2 3.16Å; R113-D115 PolarHBondContact NH2-OD2 2.68Å; R113-A124 WeakPolarHBondContact O-CA 3.2Å; R113-L125 HydrophobicContact CB-CB 3.92Å; R113-L125 HydrophobicContact CB-CD2 4.28Å; R113-L125 PolarHBondContact O-N 3.43Å; R113-W132 HydrophobicContact CB-CH2 4.49Å; R113-W132 HydrophobicContact CB-CZ3 4.47Å; R113-W132 HydrophobicContact CG-CH2 3.91Å; R113-W132 HydrophobicContact CG-CZ3 3.96Å |
| 114 | Q | 98.6 | Very high | 97.8 | Very high | 86 Ų | 86 | 62.1 Ų | 62.1 | 40% | 0.402 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 129.3 | -175.7 | -62 | 178.9 | -13.3 | 0 | 0 | 109.2 | I96 M97 A124 | I96-Q114 CarbonylContact C-O 3.56Å; I96-Q114 WeakPolarHBondContact CA-O 3.31Å; M97-Q114 HydrophobicContact CE-CB 4.31Å; M97-Q114 HydrophobicContact CE-CG 4.09Å; M97-Q114 PolarHBondContact N-O 2.91Å; M97-Q114 PolarHBondContact O-N 3.23Å; Q114-A124 HydrophobicContact CG-CB 3.96Å |
| 115 | D | 98.8 | Very high | 98 | Very high | 18 Ų | 18 | 57 Ų | 57 | 10% | 0.096 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 138.1 | -177.8 | -59.5 | 25.7 | 0 | 0 | 0 | 107.8 | Q95 I96 R113 Y122 I123 | Q95-D115 CarbonylContact O-C 3.56Å; Q95-D115 WeakPolarHBondContact O-CA 3.5Å; I96-D115 HydrophobicContact CG1-CB 4.43Å; R113-D115 IonicContact CZ-OD1 3.69Å; R113-D115 IonicContact CZ-OD2 3.07Å; R113-D115 IonicContact NE-OD1 3.65Å; R113-D115 PolarHBondContact NE-OD1 3.3Å; R113-D115 IonicContact NE-OD2 3.01Å; R113-D115 IonicContact NH2-OD1 2.86Å; R113-D115 PolarHBondContact NH2-OD1 3.48Å; R113-D115 IonicContact NH2-OD2 3.16Å; R113-D115 PolarHBondContact NH2-OD2 2.68Å; D115-Y122 WeakPolarHBondContact O-CA 3.36Å; D115-Y122 VanDerWaalsContact O-CB 3.32Å; D115-Y122 WeakPolarHBondContact O-CB 3.13Å; D115-Y122 PolarHBondContact O-N 2.88Å; D115-I123 HydrophobicContact CB-CG2 3.99Å; D115-I123 PolarHBondContact N-O 3.33Å; D115-I123 PolarHBondContact O-N 2.86Å; D115-I123 VanDerWaalsContact O-N 3.15Å |
| 116 | A | 98.8 | Very high | 98.2 | Very high | 18 Ų | 18 | 56.7 Ų | 56.7 | 15% | 0.149 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 149.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | I94 Q95 K120 | I94-A116 WeakPolarHBondContact CA-O 3.45Å; Q95-A116 HydrophobicContact CB-CB 4.33Å; Q95-A116 PolarHBondContact N-O 3.33Å; Q95-A116 PolarHBondContact O-N 3.08Å; A116-K120 CarbonylContact C-O 3.56Å; A116-K120 WeakPolarHBondContact CA-O 3.49Å; A116-K120 VanDerWaalsContact CB-O 3.24Å; A116-K120 WeakPolarHBondContact CB-O 3.32Å |
| 117 | Y | 98.8 | Very high | 98.4 | Very high | 11 Ų | 11 | 62.3 Ų | 62.3 | 4% | 0.043 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 127.5 | 177.6 | -172.9 | -119 | 0 | 0 | 0 | 110.3 | L77 L80 Y84 Q86 H92 T93 I94 G119 K120 | L77-Y117 HydrophobicContact CD2-CE2 4.38Å; L80-Y117 HydrophobicContact CB-CD1 4.48Å; L80-Y117 HydrophobicContact CB-CD2 4.15Å; L80-Y117 HydrophobicContact CB-CE1 4.1Å; L80-Y117 HydrophobicContact CB-CE2 3.75Å; L80-Y117 HydrophobicContact CB-CG 4.49Å; L80-Y117 HydrophobicContact CD1-CD2 3.44Å; L80-Y117 VanDerWaalsContact CD1-CD2 3.44Å; L80-Y117 HydrophobicContact CD1-CE2 3.79Å; L80-Y117 HydrophobicContact CD1-CG 3.92Å; L80-Y117 HydrophobicContact CG-CD2 4.4Å; L80-Y117 HydrophobicContact CG-CE2 4.43Å; Y84-Y117 AromaticContact CD2-CD1 3.68Å; Y84-Y117 HydrophobicContact CD2-CD1 3.68Å; Y84-Y117 AromaticContact CD2-CE1 3.44Å; Y84-Y117 HydrophobicContact CD2-CE1 3.44Å; Y84-Y117 VanDerWaalsContact CD2-CE1 3.44Å; Y84-Y117 AromaticContact CE2-CD1 3.41Å; Y84-Y117 HydrophobicContact CE2-CD1 3.41Å; Y84-Y117 VanDerWaalsContact CE2-CD1 3.41Å; Y84-Y117 AromaticContact CE2-CE1 3.71Å; Y84-Y117 HydrophobicContact CE2-CE1 3.71Å; Y84-Y117 HydrophobicContact CE2-CG 4.36Å; Y84-Y117 HydrophobicContact CG-CE1 4.34Å; Q86-Y117 PolarHBondContact OE1-OH 3.42Å; H92-Y117 HydrophobicContact CB-CE2 3.88Å; H92-Y117 WeakPolarHBondContact CB-OH 3.37Å; H92-Y117 VanDerWaalsContact CG-OH 3.26Å; H92-Y117 AromaticContact ND1-CZ 4Å; H92-Y117 PolarHBondContact ND1-OH 2.91Å; T93-Y117 CarbonylContact O-C 3.55Å; T93-Y117 WeakPolarHBondContact O-CA 3.26Å; T93-Y117 WeakPolarHBondContact O-CD2 3.14Å; I94-Y117 HydrophobicContact CG1-CD2 3.93Å; I94-Y117 HydrophobicContact CG1-CE2 4.32Å; Y117-G119 PolarHBondContact O-N 3.16Å; Y117-K120 PolarHBondContact N-O 3Å; Y117-K120 PolarHBondContact O-N 2.99Å |
| 118 | D | 98.3 | Very high | 98.4 | Very high | 60 Ų | 60 | 57.9 Ų | 57.9 | 32% | 0.321 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.4 | 40.5 | -175.9 | -66.3 | -19.8 | 0 | 0 | 0 | 113.2 | Q86 H92 T93 K120 | Q86-D118 PolarHBondContact NE2-OD2 2.92Å; H92-D118 WeakPolarHBondContact CA-OD1 3.46Å; H92-D118 WeakPolarHBondContact CB-OD1 3.42Å; H92-D118 IonicContact CE1-OD2 3.54Å; H92-D118 IonicContact CG-OD1 3.59Å; H92-D118 IonicContact CG-OD2 3.15Å; H92-D118 IonicContact ND1-OD1 3.53Å; H92-D118 IonicContact ND1-OD2 3.27Å; H92-D118 PolarHBondContact ND1-OD2 3.49Å; T93-D118 PolarHBondContact N-OD1 3.31Å; T93-D118 PolarHBondContact O-N 3.08Å; D118-K120 VanDerWaalsContact C-N 3.3Å; D118-K120 PolarHBondContact O-N 3.41Å |
| 119 | G | 97.5 | Very high | 98.4 | Very high | 58 Ų | 58 | 55 Ų | 55 | 60% | 0.598 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.9 | 8.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y117 | Y117-G119 PolarHBondContact O-N 3.16Š|
| 120 | K | 98.5 | Very high | 98.4 | Very high | 159 Ų | 159 | 57.9 Ų | 57.9 | 69% | 0.691 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115 | 146.6 | 175.9 | -63.1 | 179.2 | -177.5 | 175 | 0 | 110.7 | A116 Y117 D118 Y122 | A116-K120 CarbonylContact C-O 3.56Å; A116-K120 WeakPolarHBondContact CA-O 3.49Å; A116-K120 VanDerWaalsContact CB-O 3.24Å; A116-K120 WeakPolarHBondContact CB-O 3.32Å; Y117-K120 PolarHBondContact N-O 3Å; Y117-K120 PolarHBondContact O-N 2.99Å; D118-K120 VanDerWaalsContact C-N 3.3Å; D118-K120 PolarHBondContact O-N 3.41Å; K120-Y122 PolarHBondContact O-N 2.83Å |
| 121 | D | 98.7 | Very high | 98.4 | Very high | 136 Ų | 136 | 55.4 Ų | 55.4 | 73% | 0.727 | 28% | 0.281 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -52.4 | 135.8 | 173.6 | -67.9 | -7.6 | 0 | 0 | 0 | 110.6 | A135 | D121-A135 HydrophobicContact CB-CB 4.24Å; D121-A135 WeakPolarHBondContact O-CB 3.41Å |
| 122 | Y | 98.8 | Very high | 98.4 | Very high | 11 Ų | 11 | 55.3 Ų | 55.3 | 4% | 0.043 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | -64 | 177.3 | -178.3 | -113.1 | 0 | 0 | 0 | 110.5 | L80 Y84 D115 K120 A135 A138 A139 T142 | L80-Y122 HydrophobicContact CD2-CD1 4.49Å; L80-Y122 HydrophobicContact CD2-CD2 4.44Å; L80-Y122 HydrophobicContact CD2-CE1 3.78Å; L80-Y122 HydrophobicContact CD2-CE2 3.69Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.2Å; Y84-Y122 HydrophobicContact CE2-CE2 4.17Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.46Å; Y84-Y122 VanDerWaalsContact OH-CE2 3.3Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.39Å; D115-Y122 WeakPolarHBondContact O-CA 3.36Å; D115-Y122 VanDerWaalsContact O-CB 3.32Å; D115-Y122 WeakPolarHBondContact O-CB 3.13Å; D115-Y122 PolarHBondContact O-N 2.88Å; K120-Y122 PolarHBondContact O-N 2.83Å; Y122-A135 WeakPolarHBondContact O-CB 3.31Å; Y122-A135 PolarHBondContact O-N 2.86Å; Y122-A138 HydrophobicContact CE2-CB 4.33Å; Y122-A138 PolarHBondContact OH-O 2.81Å; Y122-A139 HydrophobicContact CD2-CB 3.72Å; Y122-A139 VanDerWaalsContact CE2-CA 3.44Å; Y122-A139 HydrophobicContact CE2-CB 3.61Å; Y122-A139 HydrophobicContact CG-CB 4.24Å; Y122-A139 WeakPolarHBondContact O-CB 3Å; Y122-T142 HydrophobicContact CE1-CG2 4.2Å; Y122-T142 PolarHBondContact OH-OG1 3.4Å |
| 123 | I | 98.8 | Very high | 98.4 | Very high | 3 Ų | 3 | 57.1 Ų | 57.1 | 2% | 0.015 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 141.9 | 178.9 | -164.2 | 172.4 | 0 | 0 | 0 | 110.8 | D115 W132 T133 T142 K143 W146 | D115-I123 HydrophobicContact CB-CG2 3.99Å; D115-I123 PolarHBondContact N-O 3.33Å; D115-I123 PolarHBondContact O-N 2.86Å; D115-I123 VanDerWaalsContact O-N 3.15Å; I123-W132 HydrophobicContact CD1-CB 4.09Å; I123-W132 HydrophobicContact CD1-CD2 4.36Å; I123-W132 HydrophobicContact CD1-CE3 4.22Å; I123-W132 HydrophobicContact CD1-CG 4.32Å; I123-W132 HydrophobicContact CG1-CB 4.18Å; I123-W132 HydrophobicContact CG1-CE3 4.01Å; I123-T133 CarbonylContact C-O 3.52Å; I123-T133 WeakPolarHBondContact CA-O 3.39Å; I123-T133 WeakPolarHBondContact CG1-O 3.42Å; I123-T142 HydrophobicContact CD1-CG2 4.07Å; I123-K143 HydrophobicContact CD1-CB 3.86Å; I123-W146 HydrophobicContact CD1-CE3 3.98Å; I123-W146 HydrophobicContact CD1-CZ3 4.26Å; I123-W146 HydrophobicContact CG2-CH2 4.08Å; I123-W146 HydrophobicContact CG2-CZ3 3.79Å |
| 124 | A | 98.8 | Very high | 98.4 | Very high | 27 Ų | 27 | 56.8 Ų | 56.8 | 22% | 0.223 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 136.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | R113 Q114 W132 T133 | R113-A124 WeakPolarHBondContact O-CA 3.2Å; Q114-A124 HydrophobicContact CG-CB 3.96Å; A124-W132 VanDerWaalsContact C-CE3 3.49Å; A124-W132 WeakPolarHBondContact O-CA 3.38Å; A124-T133 PolarHBondContact N-O 2.88Å; A124-T133 PolarHBondContact O-N 2.87Å |
| 125 | L | 98.8 | Very high | 98.4 | Very high | 13 Ų | 13 | 55.5 Ų | 55.5 | 7% | 0.068 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 129.8 | 170 | -173.3 | 63.6 | 0 | 0 | 0 | 108.4 | R113 L129 W132 A152 Q155 L159 | R113-L125 HydrophobicContact CB-CB 3.92Å; R113-L125 HydrophobicContact CB-CD2 4.28Å; R113-L125 PolarHBondContact O-N 3.43Å; L125-L129 HydrophobicContact CD2-CB 4.42Å; L125-L129 HydrophobicContact CD2-CD2 3.74Å; L125-L129 HydrophobicContact CG-CD2 4.26Å; L125-W132 HydrophobicContact CB-CE3 3.91Å; L125-W132 HydrophobicContact CB-CH2 3.97Å; L125-W132 HydrophobicContact CB-CZ3 3.56Å; L125-W132 HydrophobicContact CD1-CD2 4.07Å; L125-W132 HydrophobicContact CD1-CE3 4.25Å; L125-W132 HydrophobicContact CD1-CH2 4.06Å; L125-W132 HydrophobicContact CD1-CZ2 3.87Å; L125-W132 HydrophobicContact CD1-CZ3 4.24Å; L125-W132 HydrophobicContact CG-CH2 4.46Å; L125-W132 HydrophobicContact CG-CZ3 4.45Å; L125-W132 VanDerWaalsContact N-CE3 3.33Å; L125-A152 HydrophobicContact CD1-CB 3.99Å; L125-Q155 HydrophobicContact CD2-CB 4.01Å; L125-L159 HydrophobicContact CD2-CD1 3.91Å |
| 126 | K | 98.6 | Very high | 98.4 | Very high | 87 Ų | 87 | 57.5 Ų | 57.5 | 38% | 0.378 | 31% | 0.312 | S | S | . | . | trans | -74.2 | 166.6 | 176.7 | -63.3 | -164.8 | -154.2 | 158.5 | 0 | 111.1 | D128 L129 S131 T133 | K126-D128 PolarHBondContact O-N 2.87Å; K126-D128 VanDerWaalsContact O-N 3.12Å; K126-L129 PolarHBondContact O-N 3.38Å; K126-S131 WeakPolarHBondContact CB-O 3.43Å; K126-S131 VanDerWaalsContact CD-OG 3.23Å; K126-S131 WeakPolarHBondContact CD-OG 3.29Å; K126-S131 WeakPolarHBondContact CE-OG 3.31Å; K126-S131 WeakPolarHBondContact CG-O 3.42Å; K126-S131 PolarHBondContact N-O 2.97Å; K126-S131 PolarHBondContact NZ-OG 2.94Å; K126-T133 VanDerWaalsContact CE-OG1 3.23Å; K126-T133 WeakPolarHBondContact CE-OG1 3.32Å; K126-T133 WeakPolarHBondContact CG-OG1 3.23Å | ||
| 127 | E | 97.5 | Very high | 98.3 | Very high | 136 Ų | 136 | 63.8 Ų | 63.8 | 64% | 0.636 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -23.3 | -179.7 | -40.8 | -167.3 | 162.5 | 0 | 0 | 113.3 | R110 L129 | R110-E127 VanDerWaalsContact CZ-CD 3.44Å; R110-E127 IonicContact CZ-OE1 2.87Å; R110-E127 IonicContact CZ-OE2 3.92Å; R110-E127 IonicContact NH1-OE1 3.98Å; R110-E127 PolarHBondContact NH1-OE1 3.3Å; R110-E127 IonicContact NH1-OE2 3.03Å; R110-E127 PolarHBondContact NH1-OE2 2.91Å; R110-E127 VanDerWaalsContact NH2-CD 3.27Å; R110-E127 IonicContact NH2-OE1 2.81Å; R110-E127 PolarHBondContact NH2-OE1 2.95Å; E127-L129 PolarHBondContact O-N 2.69Å |
| 128 | D | 97.7 | Very high | 98.3 | Very high | 75 Ų | 75 | 63.8 Ų | 63.8 | 40% | 0.401 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -10.4 | 174.9 | 66.3 | 14 | 0 | 0 | 0 | 113.7 | K126 R130 S131 | K126-D128 PolarHBondContact O-N 2.87Å; K126-D128 VanDerWaalsContact O-N 3.12Å; D128-R130 WeakPolarHBondContact O-CG 3.23Å; D128-R130 PolarHBondContact O-N 2.83Å; D128-R130 VanDerWaalsContact O-N 3.13Å; D128-R130 PolarHBondContact OD1-N 3.36Å; D128-S131 PolarHBondContact OD1-N 3.13Å; D128-S131 PolarHBondContact OD1-OG 3.12Å; D128-S131 PolarHBondContact OD2-OG 3.01Å |
| 129 | L | 98.1 | Very high | 98.3 | Very high | 5 Ų | 5 | 61 Ų | 61 | 3% | 0.026 | 33% | 0.327 | C | S | . | . | S | Bend | trans | 52.5 | 26.3 | -174.8 | -51.2 | 179.5 | 0 | 0 | 0 | 114 | F108 L125 K126 E127 R156 L159 E160 | F108-L129 HydrophobicContact CE1-CD1 4.02Å; F108-L129 HydrophobicContact CZ-CD1 3.67Å; L125-L129 HydrophobicContact CD2-CB 4.42Å; L125-L129 HydrophobicContact CD2-CD2 3.74Å; L125-L129 HydrophobicContact CG-CD2 4.26Å; K126-L129 PolarHBondContact O-N 3.38Å; E127-L129 PolarHBondContact O-N 2.69Å; L129-R156 HydrophobicContact CB-CB 4.08Å; L129-R156 HydrophobicContact CB-CG 3.95Å; L129-R156 HydrophobicContact CD1-CG 4.02Å; L129-L159 HydrophobicContact CD2-CD1 3.98Å; L129-E160 HydrophobicContact CD1-CG 4.19Å |
| 130 | R | 97.8 | Very high | 98.4 | Very high | 173 Ų | 173 | 60.9 Ų | 60.9 | 65% | 0.653 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -130.8 | -29.3 | -174.7 | -71.7 | 170.2 | -173.3 | -127.8 | 4.4 | 112.2 | D128 A152 | D128-R130 WeakPolarHBondContact O-CG 3.23Å; D128-R130 PolarHBondContact O-N 2.83Å; D128-R130 VanDerWaalsContact O-N 3.13Å; D128-R130 PolarHBondContact OD1-N 3.36Å; R130-A152 WeakPolarHBondContact O-CB 3.43Å |
| 131 | S | 97.8 | Very high | 98.3 | Very high | 24 Ų | 24 | 56.4 Ų | 56.4 | 17% | 0.168 | 29% | 0.294 | C | S | . | . | trans | -124.1 | 156.9 | -176 | 73.1 | 0 | 0 | 0 | 0 | 112.6 | K126 D128 | K126-S131 WeakPolarHBondContact CB-O 3.43Å; K126-S131 VanDerWaalsContact CD-OG 3.23Å; K126-S131 WeakPolarHBondContact CD-OG 3.29Å; K126-S131 WeakPolarHBondContact CE-OG 3.31Å; K126-S131 WeakPolarHBondContact CG-O 3.42Å; K126-S131 PolarHBondContact N-O 2.97Å; K126-S131 PolarHBondContact NZ-OG 2.94Å; D128-S131 PolarHBondContact OD1-N 3.13Å; D128-S131 PolarHBondContact OD1-OG 3.12Å; D128-S131 PolarHBondContact OD2-OG 3.01Å | ||
| 132 | W | 98.8 | Very high | 98.3 | Very high | 2 Ų | 2 | 50.8 Ų | 50.8 | 1% | 0.008 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 143.9 | -177.3 | -59.9 | 92.3 | 0 | 0 | 0 | 111.8 | R113 I123 A124 L125 K143 W146 V151 A152 Q155 | R113-W132 HydrophobicContact CB-CH2 4.49Å; R113-W132 HydrophobicContact CB-CZ3 4.47Å; R113-W132 HydrophobicContact CG-CH2 3.91Å; R113-W132 HydrophobicContact CG-CZ3 3.96Å; I123-W132 HydrophobicContact CD1-CB 4.09Å; I123-W132 HydrophobicContact CD1-CD2 4.36Å; I123-W132 HydrophobicContact CD1-CE3 4.22Å; I123-W132 HydrophobicContact CD1-CG 4.32Å; I123-W132 HydrophobicContact CG1-CB 4.18Å; I123-W132 HydrophobicContact CG1-CE3 4.01Å; A124-W132 VanDerWaalsContact C-CE3 3.49Å; A124-W132 WeakPolarHBondContact O-CA 3.38Å; L125-W132 HydrophobicContact CB-CE3 3.91Å; L125-W132 HydrophobicContact CB-CH2 3.97Å; L125-W132 HydrophobicContact CB-CZ3 3.56Å; L125-W132 HydrophobicContact CD1-CD2 4.07Å; L125-W132 HydrophobicContact CD1-CE3 4.25Å; L125-W132 HydrophobicContact CD1-CH2 4.06Å; L125-W132 HydrophobicContact CD1-CZ2 3.87Å; L125-W132 HydrophobicContact CD1-CZ3 4.24Å; L125-W132 HydrophobicContact CG-CH2 4.46Å; L125-W132 HydrophobicContact CG-CZ3 4.45Å; L125-W132 VanDerWaalsContact N-CE3 3.33Å; W132-K143 HydrophobicContact CB-CD 4.26Å; W132-K143 HydrophobicContact CB-CG 4.13Å; W132-K143 WeakPolarHBondContact O-CE 3.34Å; W132-K143 PolarHBondContact O-NZ 3.12Å; W132-W146 AromaticContact CD2-CE3 3.82Å; W132-W146 HydrophobicContact CD2-CE3 3.82Å; W132-W146 HydrophobicContact CD2-CZ3 4.29Å; W132-W146 AromaticContact CE2-CE3 3.63Å; W132-W146 AromaticContact CE3-CE3 3.8Å; W132-W146 HydrophobicContact CE3-CE3 3.8Å; W132-W146 AromaticContact CE3-CZ3 3.79Å; W132-W146 HydrophobicContact CE3-CZ3 3.79Å; W132-W146 AromaticContact CH2-CE3 3.48Å; W132-W146 HydrophobicContact CH2-CE3 3.48Å; W132-W146 VanDerWaalsContact CH2-CE3 3.48Å; W132-W146 HydrophobicContact CH2-CH2 4.42Å; W132-W146 AromaticContact CH2-CZ3 3.33Å; W132-W146 HydrophobicContact CH2-CZ3 3.33Å; W132-W146 HydrophobicContact CZ2-CD2 4.45Å; W132-W146 AromaticContact CZ2-CE3 3.47Å; W132-W146 HydrophobicContact CZ2-CE3 3.47Å; W132-W146 VanDerWaalsContact CZ2-CE3 3.47Å; W132-W146 AromaticContact CZ2-CZ3 3.87Å; W132-W146 HydrophobicContact CZ2-CZ3 3.87Å; W132-W146 AromaticContact CZ3-CE3 3.65Å; W132-W146 HydrophobicContact CZ3-CE3 3.65Å; W132-W146 HydrophobicContact CZ3-CH2 4.48Å; W132-W146 AromaticContact CZ3-CZ3 3.3Å; W132-W146 HydrophobicContact CZ3-CZ3 3.3Å; W132-V151 HydrophobicContact CZ2-CB 4.43Å; W132-V151 HydrophobicContact CZ2-CG1 4.08Å; W132-A152 HydrophobicContact CZ2-CB 4.36Å; W132-Q155 HydrophobicContact CH2-CG 4.17Å; W132-Q155 HydrophobicContact CZ2-CG 4.36Å |
| 133 | T | 98.7 | Very high | 98.3 | Very high | 75 Ų | 75 | 52.1 Ų | 52.1 | 46% | 0.46 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 121.9 | 165.6 | -60.5 | 0 | 0 | 0 | 0 | 108.2 | I123 A124 K126 | I123-T133 CarbonylContact C-O 3.52Å; I123-T133 WeakPolarHBondContact CA-O 3.39Å; I123-T133 WeakPolarHBondContact CG1-O 3.42Å; A124-T133 PolarHBondContact N-O 2.88Å; A124-T133 PolarHBondContact O-N 2.87Å; K126-T133 VanDerWaalsContact CE-OG1 3.23Å; K126-T133 WeakPolarHBondContact CE-OG1 3.32Å; K126-T133 WeakPolarHBondContact CG-OG1 3.23Å |
| 134 | A | 98.7 | Very high | 98.3 | Very high | 15 Ų | 15 | 59.5 Ų | 59.5 | 12% | 0.124 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 135.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | A139 Q140 K143 | A134-A139 HydrophobicContact CB-CB 3.67Å; A134-Q140 HydrophobicContact CB-CG 4.24Å; A134-K143 HydrophobicContact CB-CB 4.23Å; A134-K143 HydrophobicContact CB-CD 4.15Å |
| 135 | A | 98.5 | Very high | 98.3 | Very high | 59 Ų | 59 | 64 Ų | 64 | 49% | 0.488 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -76.2 | -33.4 | -174 | 0 | 0 | 0 | 0 | 0 | 113.2 | D121 Y122 | D121-A135 HydrophobicContact CB-CB 4.24Å; D121-A135 WeakPolarHBondContact O-CB 3.41Å; Y122-A135 WeakPolarHBondContact O-CB 3.31Å; Y122-A135 PolarHBondContact O-N 2.86Å |
| 136 | D | 98.3 | Very high | 98.3 | Very high | 61 Ų | 61 | 65.9 Ų | 65.9 | 33% | 0.326 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -149.9 | -173.6 | -178.3 | 67.7 | 20.6 | 0 | 0 | 0 | 113.2 | Y84 A138 A139 Q140 | Y84-D136 VanDerWaalsContact CE1-OD2 3.31Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.3Å; Y84-D136 PolarHBondContact OH-OD1 3.15Å; Y84-D136 PolarHBondContact OH-OD2 3.27Å; D136-A138 VanDerWaalsContact C-N 3.32Å; D136-A138 PolarHBondContact O-N 3.32Å; D136-A138 WeakPolarHBondContact OD1-CB 3.43Å; D136-A138 PolarHBondContact OD1-N 2.79Å; D136-A139 PolarHBondContact O-N 3.34Å; D136-A139 PolarHBondContact OD1-N 3.07Å; D136-Q140 WeakPolarHBondContact O-CG 3.42Å; D136-Q140 PolarHBondContact O-N 2.85Å |
| 137 | M | 97.9 | Very high | 98.3 | Very high | 149 Ų | 149 | 65.8 Ų | 65.8 | 73% | 0.734 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -64.9 | -31 | -178.1 | -68.8 | -58.6 | -63.6 | 0 | 0 | 113.7 | Q140 | M137-Q140 PolarHBondContact O-N 3.15Å |
| 138 | A | 97.8 | Very high | 98.3 | Very high | 12 Ų | 12 | 63.2 Ų | 63.2 | 10% | 0.099 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -69.8 | -45.5 | 175 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y83 Y84 Y122 D136 Q140 I141 | Y83-A138 HydrophobicContact CD2-CB 4.48Å; Y84-A138 HydrophobicContact CD1-CB 4.22Å; Y84-A138 HydrophobicContact CE1-CB 3.62Å; Y84-A138 HydrophobicContact CE2-CB 3.97Å; Y84-A138 VanDerWaalsContact CZ-CB 3.48Å; Y122-A138 HydrophobicContact CE2-CB 4.33Å; Y122-A138 PolarHBondContact OH-O 2.81Å; D136-A138 VanDerWaalsContact C-N 3.32Å; D136-A138 PolarHBondContact O-N 3.32Å; D136-A138 WeakPolarHBondContact OD1-CB 3.43Å; D136-A138 PolarHBondContact OD1-N 2.79Å; A138-Q140 PolarHBondContact O-N 3.43Å; A138-I141 VanDerWaalsContact O-CB 3.26Å; A138-I141 WeakPolarHBondContact O-CB 3.21Å; A138-I141 PolarHBondContact O-N 3.45Å |
| 139 | A | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.9 | -30.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y122 A134 D136 I141 T142 K143 | Y122-A139 HydrophobicContact CD2-CB 3.72Å; Y122-A139 VanDerWaalsContact CE2-CA 3.44Å; Y122-A139 HydrophobicContact CE2-CB 3.61Å; Y122-A139 HydrophobicContact CG-CB 4.24Å; Y122-A139 WeakPolarHBondContact O-CB 3Å; A134-A139 HydrophobicContact CB-CB 3.67Å; D136-A139 PolarHBondContact O-N 3.34Å; D136-A139 PolarHBondContact OD1-N 3.07Å; A139-I141 PolarHBondContact O-N 3.39Å; A139-T142 PolarHBondContact O-N 2.86Å; A139-K143 WeakPolarHBondContact O-CB 3.36Å; A139-K143 PolarHBondContact O-N 3.49Å |
| 140 | Q | 98.6 | Very high | 98.3 | Very high | 57 Ų | 57 | 67.2 Ų | 67.2 | 27% | 0.266 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61 | -29.9 | 173.2 | -68.7 | -68.3 | -19 | 0 | 0 | 112.5 | A134 D136 M137 A138 R144 | A134-Q140 HydrophobicContact CB-CG 4.24Å; D136-Q140 WeakPolarHBondContact O-CG 3.42Å; D136-Q140 PolarHBondContact O-N 2.85Å; M137-Q140 PolarHBondContact O-N 3.15Å; A138-Q140 PolarHBondContact O-N 3.43Å; Q140-R144 WeakPolarHBondContact O-CG 3.45Å; Q140-R144 PolarHBondContact O-N 3.27Å; Q140-R144 VanDerWaalsContact O-N 3.11Å |
| 141 | I | 98.3 | Very high | 98.4 | Very high | 65 Ų | 65 | 60 Ų | 60 | 33% | 0.333 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -66.1 | -48.3 | 175.7 | -55.6 | 171.8 | 0 | 0 | 0 | 109.6 | Y83 A138 A139 R144 K145 | Y83-I141 HydrophobicContact CD1-CD1 4.22Å; Y83-I141 HydrophobicContact CD2-CD1 4.49Å; Y83-I141 HydrophobicContact CE1-CD1 4.32Å; Y83-I141 HydrophobicContact CE1-CG2 4.14Å; Y83-I141 HydrophobicContact CE2-CB 4.12Å; Y83-I141 HydrophobicContact CE2-CG2 4.09Å; Y83-I141 HydrophobicContact CG-CD1 4.31Å; Y83-I141 WeakPolarHBondContact OH-CG2 3.41Å; A138-I141 VanDerWaalsContact O-CB 3.26Å; A138-I141 WeakPolarHBondContact O-CB 3.21Å; A138-I141 PolarHBondContact O-N 3.45Å; A139-I141 PolarHBondContact O-N 3.39Å; I141-R144 PolarHBondContact O-N 3.5Å; I141-K145 WeakPolarHBondContact O-CG 3.35Å; I141-K145 PolarHBondContact O-N 3.05Å |
| 142 | T | 98.4 | Very high | 98.4 | Very high | 17 Ų | 17 | 59.1 Ų | 59.1 | 10% | 0.104 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.5 | -45.5 | 175.6 | -67.6 | 0 | 0 | 0 | 0 | 111.2 | Y122 I123 A139 R144 K145 W146 | Y122-T142 HydrophobicContact CE1-CG2 4.2Å; Y122-T142 PolarHBondContact OH-OG1 3.4Å; I123-T142 HydrophobicContact CD1-CG2 4.07Å; A139-T142 PolarHBondContact O-N 2.86Å; T142-R144 PolarHBondContact O-N 2.84Å; T142-K145 WeakPolarHBondContact O-CB 3.27Å; T142-K145 PolarHBondContact O-N 3.18Å; T142-K145 VanDerWaalsContact O-N 3.13Å; T142-W146 HydrophobicContact CG2-CD2 3.84Å; T142-W146 HydrophobicContact CG2-CE3 4.35Å; T142-W146 HydrophobicContact CG2-CG 4.14Å; T142-W146 HydrophobicContact CG2-CZ2 4.04Å; T142-W146 PolarHBondContact O-N 3.35Å |
| 143 | K | 98.8 | Very high | 98.4 | Very high | 39 Ų | 39 | 65 Ų | 65 | 17% | 0.17 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -52.7 | -50.8 | 177.9 | 174.3 | 171.6 | 174.8 | 174.9 | 0 | 112.2 | I123 W132 A134 A139 K145 W146 E147 | I123-K143 HydrophobicContact CD1-CB 3.86Å; W132-K143 HydrophobicContact CB-CD 4.26Å; W132-K143 HydrophobicContact CB-CG 4.13Å; W132-K143 WeakPolarHBondContact O-CE 3.34Å; W132-K143 PolarHBondContact O-NZ 3.12Å; A134-K143 HydrophobicContact CB-CB 4.23Å; A134-K143 HydrophobicContact CB-CD 4.15Å; A139-K143 WeakPolarHBondContact O-CB 3.36Å; A139-K143 PolarHBondContact O-N 3.49Å; K143-K145 VanDerWaalsContact C-N 3.33Å; K143-K145 PolarHBondContact O-N 2.97Å; K143-W146 PolarHBondContact O-N 3.18Å; K143-E147 WeakPolarHBondContact CE-OE1 3.42Å; K143-E147 HydrophobicContact CG-CG 4.35Å; K143-E147 IonicContact NZ-OE1 3.72Å; K143-E147 WeakPolarHBondContact O-CB 3.33Å; K143-E147 WeakPolarHBondContact O-CG 3.22Å; K143-E147 PolarHBondContact O-N 3.46Å |
| 144 | R | 98.7 | Very high | 98.3 | Very high | 158 Ų | 158 | 67.4 Ų | 67.4 | 60% | 0.596 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -61.2 | -40.7 | 179.6 | -69.6 | 170.5 | -170 | 158.3 | 3.5 | 112.3 | Q140 I141 T142 A148 | Q140-R144 WeakPolarHBondContact O-CG 3.45Å; Q140-R144 PolarHBondContact O-N 3.27Å; Q140-R144 VanDerWaalsContact O-N 3.11Å; I141-R144 PolarHBondContact O-N 3.5Å; T142-R144 PolarHBondContact O-N 2.84Å; R144-A148 WeakPolarHBondContact O-CB 3.43Å; R144-A148 PolarHBondContact O-N 2.8Å |
| 145 | K | 98.2 | Very high | 98.3 | Very high | 123 Ų | 123 | 68.5 Ų | 68.5 | 54% | 0.535 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.9 | -45 | 176 | -71.6 | 177.6 | 173.8 | -177.3 | 0 | 111.3 | Y83 I141 T142 K143 A148 A149 | Y83-K145 PolarHBondContact OH-NZ 3.12Å; I141-K145 WeakPolarHBondContact O-CG 3.35Å; I141-K145 PolarHBondContact O-N 3.05Å; T142-K145 WeakPolarHBondContact O-CB 3.27Å; T142-K145 PolarHBondContact O-N 3.18Å; T142-K145 VanDerWaalsContact O-N 3.13Å; K143-K145 VanDerWaalsContact C-N 3.33Å; K143-K145 PolarHBondContact O-N 2.97Å; K145-A148 PolarHBondContact O-N 3.45Å; K145-A149 WeakPolarHBondContact O-CB 3.33Å; K145-A149 PolarHBondContact O-N 3.23Å |
| 146 | W | 98.5 | Very high | 98.3 | Very high | 52 Ų | 52 | 69.5 Ų | 69.5 | 20% | 0.197 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -70 | -36.1 | -179 | -77.3 | 11.3 | 0 | 0 | 0 | 113.2 | I123 W132 T142 K143 A149 H150 V151 | I123-W146 HydrophobicContact CD1-CE3 3.98Å; I123-W146 HydrophobicContact CD1-CZ3 4.26Å; I123-W146 HydrophobicContact CG2-CH2 4.08Å; I123-W146 HydrophobicContact CG2-CZ3 3.79Å; W132-W146 AromaticContact CD2-CE3 3.82Å; W132-W146 HydrophobicContact CD2-CE3 3.82Å; W132-W146 HydrophobicContact CD2-CZ3 4.29Å; W132-W146 AromaticContact CE2-CE3 3.63Å; W132-W146 AromaticContact CE3-CE3 3.8Å; W132-W146 HydrophobicContact CE3-CE3 3.8Å; W132-W146 AromaticContact CE3-CZ3 3.79Å; W132-W146 HydrophobicContact CE3-CZ3 3.79Å; W132-W146 AromaticContact CH2-CE3 3.48Å; W132-W146 HydrophobicContact CH2-CE3 3.48Å; W132-W146 VanDerWaalsContact CH2-CE3 3.48Å; W132-W146 HydrophobicContact CH2-CH2 4.42Å; W132-W146 AromaticContact CH2-CZ3 3.33Å; W132-W146 HydrophobicContact CH2-CZ3 3.33Å; W132-W146 HydrophobicContact CZ2-CD2 4.45Å; W132-W146 AromaticContact CZ2-CE3 3.47Å; W132-W146 HydrophobicContact CZ2-CE3 3.47Å; W132-W146 VanDerWaalsContact CZ2-CE3 3.47Å; W132-W146 AromaticContact CZ2-CZ3 3.87Å; W132-W146 HydrophobicContact CZ2-CZ3 3.87Å; W132-W146 AromaticContact CZ3-CE3 3.65Å; W132-W146 HydrophobicContact CZ3-CE3 3.65Å; W132-W146 HydrophobicContact CZ3-CH2 4.48Å; W132-W146 AromaticContact CZ3-CZ3 3.3Å; W132-W146 HydrophobicContact CZ3-CZ3 3.3Å; T142-W146 HydrophobicContact CG2-CD2 3.84Å; T142-W146 HydrophobicContact CG2-CE3 4.35Å; T142-W146 HydrophobicContact CG2-CG 4.14Å; T142-W146 HydrophobicContact CG2-CZ2 4.04Å; T142-W146 PolarHBondContact O-N 3.35Å; K143-W146 PolarHBondContact O-N 3.18Å; W146-A149 CarbonylContact O-C 3.55Å; W146-A149 PolarHBondContact O-N 3.01Å; W146-H150 PolarHBondContact O-N 3.27Å; W146-V151 HydrophobicContact CB-CB 3.95Å; W146-V151 HydrophobicContact CB-CG2 3.93Å; W146-V151 HydrophobicContact CD2-CB 4.4Å; W146-V151 HydrophobicContact CD2-CG1 4.15Å; W146-V151 HydrophobicContact CE3-CG1 4.39Å; W146-V151 HydrophobicContact CG-CB 4.05Å; W146-V151 HydrophobicContact CG-CG1 4.29Å; W146-V151 HydrophobicContact CG-CG2 3.86Å; W146-V151 PolarHBondContact O-N 3.26Å |
| 147 | E | 98.5 | Very high | 98.3 | Very high | 85 Ų | 85 | 69.8 Ų | 69.8 | 40% | 0.397 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65.2 | -46.4 | 172.8 | -73.8 | 174.2 | 160.6 | 0 | 0 | 111.1 | K143 A149 H150 | K143-E147 WeakPolarHBondContact CE-OE1 3.42Å; K143-E147 HydrophobicContact CG-CG 4.35Å; K143-E147 IonicContact NZ-OE1 3.72Å; K143-E147 WeakPolarHBondContact O-CB 3.33Å; K143-E147 WeakPolarHBondContact O-CG 3.22Å; K143-E147 PolarHBondContact O-N 3.46Å; E147-A149 PolarHBondContact O-N 3.35Å; E147-H150 PolarHBondContact O-N 2.72Å |
| 148 | A | 98.4 | Very high | 98.3 | Very high | 82 Ų | 82 | 65.5 Ų | 65.5 | 68% | 0.678 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -63.5 | -30.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | R144 K145 | R144-A148 WeakPolarHBondContact O-CB 3.43Å; R144-A148 PolarHBondContact O-N 2.8Å; K145-A148 PolarHBondContact O-N 3.45Å |
| 149 | A | 98.2 | Very high | 98.3 | Very high | 54 Ų | 54 | 65 Ų | 65 | 45% | 0.446 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 7.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | K145 W146 E147 V151 | K145-A149 WeakPolarHBondContact O-CB 3.33Å; K145-A149 PolarHBondContact O-N 3.23Å; W146-A149 CarbonylContact O-C 3.55Å; W146-A149 PolarHBondContact O-N 3.01Å; E147-A149 PolarHBondContact O-N 3.35Å; A149-V151 HydrophobicContact CB-CG2 4.01Å; A149-V151 PolarHBondContact O-N 3.44Å; A149-V151 VanDerWaalsContact O-N 3.16Å |
| 150 | H | 97.8 | Very high | 98.3 | Very high | 109 Ų | 109 | 68.7 Ų | 68.7 | 51% | 0.505 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 34.3 | 179.4 | -62.2 | -92.5 | 0 | 0 | 0 | 114.1 | W146 E147 A152 E153 | W146-H150 PolarHBondContact O-N 3.27Å; E147-H150 PolarHBondContact O-N 2.72Å; H150-A152 PolarHBondContact O-N 3.13Å; H150-E153 HydrophobicContact CB-CG 4.42Å; H150-E153 IonicContact CE1-OE1 3.9Å; H150-E153 IonicContact CG-OE1 3.68Å; H150-E153 IonicContact ND1-OE1 2.89Å; H150-E153 PolarHBondContact ND1-OE1 2.85Å; H150-E153 WeakPolarHBondContact O-CB 3.32Å; H150-E153 PolarHBondContact O-N 3.35Å |
| 151 | V | 98.4 | Very high | 98.3 | Very high | 21 Ų | 21 | 67.1 Ų | 67.1 | 13% | 0.127 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.7 | -31.7 | -175.3 | 177.9 | 0 | 0 | 0 | 0 | 111.8 | W132 W146 A149 E153 Q154 Q155 | W132-V151 HydrophobicContact CZ2-CB 4.43Å; W132-V151 HydrophobicContact CZ2-CG1 4.08Å; W146-V151 HydrophobicContact CB-CB 3.95Å; W146-V151 HydrophobicContact CB-CG2 3.93Å; W146-V151 HydrophobicContact CD2-CB 4.4Å; W146-V151 HydrophobicContact CD2-CG1 4.15Å; W146-V151 HydrophobicContact CE3-CG1 4.39Å; W146-V151 HydrophobicContact CG-CB 4.05Å; W146-V151 HydrophobicContact CG-CG1 4.29Å; W146-V151 HydrophobicContact CG-CG2 3.86Å; W146-V151 PolarHBondContact O-N 3.26Å; A149-V151 HydrophobicContact CB-CG2 4.01Å; A149-V151 PolarHBondContact O-N 3.44Å; A149-V151 VanDerWaalsContact O-N 3.16Å; V151-E153 VanDerWaalsContact C-N 3.26Å; V151-E153 PolarHBondContact O-N 2.88Å; V151-Q154 PolarHBondContact O-N 3.42Å; V151-Q155 HydrophobicContact CG1-CG 4.28Å; V151-Q155 WeakPolarHBondContact O-CG 3.49Å; V151-Q155 PolarHBondContact O-N 3.27Å |
| 152 | A | 98.6 | Very high | 98.3 | Very high | 7 Ų | 7 | 68.4 Ų | 68.4 | 6% | 0.058 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -59.2 | -36.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L125 R130 W132 H150 Q155 R156 | L125-A152 HydrophobicContact CD1-CB 3.99Å; R130-A152 WeakPolarHBondContact O-CB 3.43Å; W132-A152 HydrophobicContact CZ2-CB 4.36Å; H150-A152 PolarHBondContact O-N 3.13Å; A152-Q155 PolarHBondContact O-N 3.14Å; A152-R156 VanDerWaalsContact O-CB 3.27Å; A152-R156 WeakPolarHBondContact O-CB 3.3Å; A152-R156 PolarHBondContact O-N 3.46Å |
| 153 | E | 98.2 | Very high | 98.3 | Very high | 125 Ų | 125 | 67.6 Ų | 67.6 | 58% | 0.584 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -67.6 | -38.8 | 179.7 | -63.4 | 174.2 | -154.5 | 0 | 0 | 111.4 | H150 V151 R156 A157 | H150-E153 HydrophobicContact CB-CG 4.42Å; H150-E153 IonicContact CE1-OE1 3.9Å; H150-E153 IonicContact CG-OE1 3.68Å; H150-E153 IonicContact ND1-OE1 2.89Å; H150-E153 PolarHBondContact ND1-OE1 2.85Å; H150-E153 WeakPolarHBondContact O-CB 3.32Å; H150-E153 PolarHBondContact O-N 3.35Å; V151-E153 VanDerWaalsContact C-N 3.26Å; V151-E153 PolarHBondContact O-N 2.88Å; E153-R156 PolarHBondContact O-N 3.23Å; E153-A157 PolarHBondContact O-N 3.07Å |
| 154 | Q | 97.3 | Very high | 98.3 | Very high | 126 Ų | 126 | 66 Ų | 66 | 59% | 0.589 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -65.9 | -44.9 | 175.5 | -58.9 | 176.8 | 31.7 | 0 | 0 | 111.3 | V151 R156 A157 Y158 | V151-Q154 PolarHBondContact O-N 3.42Å; Q154-R156 VanDerWaalsContact C-N 3.34Å; Q154-R156 PolarHBondContact O-N 2.69Å; Q154-A157 PolarHBondContact O-N 3.08Å; Q154-Y158 PolarHBondContact O-N 3.09Å |
| 155 | Q | 98.3 | Very high | 98.2 | Very high | 38 Ų | 38 | 63 Ų | 63 | 18% | 0.178 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.3 | -43.8 | 176.2 | -65.3 | -58.5 | -42.3 | 0 | 0 | 110.9 | L125 W132 V151 A152 A157 Y158 L159 | L125-Q155 HydrophobicContact CD2-CB 4.01Å; W132-Q155 HydrophobicContact CH2-CG 4.17Å; W132-Q155 HydrophobicContact CZ2-CG 4.36Å; V151-Q155 HydrophobicContact CG1-CG 4.28Å; V151-Q155 WeakPolarHBondContact O-CG 3.49Å; V151-Q155 PolarHBondContact O-N 3.27Å; A152-Q155 PolarHBondContact O-N 3.14Å; Q155-A157 PolarHBondContact O-N 3.47Å; Q155-Y158 PolarHBondContact O-N 2.84Å; Q155-L159 HydrophobicContact CB-CD1 4.48Å; Q155-L159 WeakPolarHBondContact O-CB 3.41Å; Q155-L159 WeakPolarHBondContact O-CG 3.45Å; Q155-L159 PolarHBondContact O-N 3.41Å |
| 156 | R | 98.4 | Very high | 98.2 | Very high | 80 Ų | 80 | 57.8 Ų | 57.8 | 30% | 0.302 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -59.5 | -45.1 | 176.8 | -176.3 | 173.9 | 179.3 | -136.4 | -17.8 | 112.2 | L129 A152 E153 Q154 Y158 L159 E160 | L129-R156 HydrophobicContact CB-CB 4.08Å; L129-R156 HydrophobicContact CB-CG 3.95Å; L129-R156 HydrophobicContact CD1-CG 4.02Å; A152-R156 VanDerWaalsContact O-CB 3.27Å; A152-R156 WeakPolarHBondContact O-CB 3.3Å; A152-R156 PolarHBondContact O-N 3.46Å; E153-R156 PolarHBondContact O-N 3.23Å; Q154-R156 VanDerWaalsContact C-N 3.34Å; Q154-R156 PolarHBondContact O-N 2.69Å; R156-Y158 VanDerWaalsContact C-N 3.31Å; R156-Y158 PolarHBondContact O-N 2.99Å; R156-L159 PolarHBondContact O-N 3.49Å; R156-E160 HydrophobicContact CG-CG 4.13Å; R156-E160 IonicContact CZ-OE1 3.45Å; R156-E160 IonicContact CZ-OE2 3.79Å; R156-E160 VanDerWaalsContact NE-CD 3.31Å; R156-E160 IonicContact NE-OE1 3.23Å; R156-E160 PolarHBondContact NE-OE1 2.97Å; R156-E160 IonicContact NE-OE2 2.99Å; R156-E160 PolarHBondContact NE-OE2 3.16Å; R156-E160 IonicContact NH2-OE1 2.69Å; R156-E160 PolarHBondContact NH2-OE1 3.25Å; R156-E160 IonicContact NH2-OE2 2.89Å; R156-E160 PolarHBondContact NH2-OE2 3.02Å; R156-E160 VanDerWaalsContact NH2-OE2 3.15Å; R156-E160 WeakPolarHBondContact O-CB 3.28Å; R156-E160 PolarHBondContact O-N 3.29Å |
| 157 | A | 98.4 | Very high | 98.2 | Very high | 66 Ų | 66 | 55.3 Ų | 55.3 | 55% | 0.545 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -59.4 | -41.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | E153 Q154 Q155 G161 | E153-A157 PolarHBondContact O-N 3.07Å; Q154-A157 PolarHBondContact O-N 3.08Å; Q155-A157 PolarHBondContact O-N 3.47Å; A157-G161 PolarHBondContact O-N 3.2Å; A157-G161 VanDerWaalsContact O-N 3.16Å |
| 158 | Y | 98.2 | Very high | 98.1 | Very high | 60 Ų | 60 | 56.6 Ų | 56.6 | 24% | 0.235 | 31% | 0.311 | C | S | . | . | I | π-helix | trans | -65.4 | -48 | 173.8 | 171.9 | -95.5 | 0 | 0 | 0 | 112.1 | Y98 Q154 Q155 R156 G161 T162 C163 | Y98-Y158 HydrophobicContact CD2-CD1 4.48Å; Y98-Y158 AromaticContact CD2-CE1 3.71Å; Y98-Y158 HydrophobicContact CD2-CE1 3.71Å; Y98-Y158 AromaticContact CE2-CE1 3.66Å; Y98-Y158 HydrophobicContact CE2-CE1 3.66Å; Y98-Y158 AromaticContact CE2-CZ 3.81Å; Q154-Y158 PolarHBondContact O-N 3.09Å; Q155-Y158 PolarHBondContact O-N 2.84Å; R156-Y158 VanDerWaalsContact C-N 3.31Å; R156-Y158 PolarHBondContact O-N 2.99Å; Y158-G161 CarbonylContact O-C 3.58Å; Y158-G161 PolarHBondContact O-N 3.26Å; Y158-T162 HydrophobicContact CD2-CG2 4.12Å; Y158-T162 HydrophobicContact CE2-CG2 3.92Å; Y158-T162 PolarHBondContact O-N 2.9Å; Y158-T162 VanDerWaalsContact O-N 3.16Å; Y158-C163 HydrophobicContact CD1-CB 4.25Å; Y158-C163 HydrophobicContact CE1-CB 3.79Å; Y158-C163 WeakPolarHBondContact O-CB 3.49Å; Y158-C163 PolarHBondContact O-N 2.91Å |
| 159 | L | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | I | π-helix | trans | -68.2 | -40.3 | -173.2 | -70.5 | 170.3 | 0 | 0 | 0 | 112.9 | G99 F108 L125 L129 Q155 R156 V164 | G99-L159 WeakPolarHBondContact O-CD2 3.4Å; F108-L159 WeakPolarHBondContact CD2-O 3.12Å; F108-L159 HydrophobicContact CE2-CB 4.35Å; F108-L159 WeakPolarHBondContact CE2-O 3.15Å; L125-L159 HydrophobicContact CD2-CD1 3.91Å; L129-L159 HydrophobicContact CD2-CD1 3.98Å; Q155-L159 HydrophobicContact CB-CD1 4.48Å; Q155-L159 WeakPolarHBondContact O-CB 3.41Å; Q155-L159 WeakPolarHBondContact O-CG 3.45Å; Q155-L159 PolarHBondContact O-N 3.41Å; R156-L159 PolarHBondContact O-N 3.49Å; L159-V164 WeakPolarHBondContact O-CG2 3.49Å |
| 160 | E | 98.4 | Very high | 97.9 | Very high | 79 Ų | 79 | 57 Ų | 57 | 37% | 0.369 | 28% | 0.283 | S | S | . | . | I | π-helix | trans | -81.6 | -21.9 | 178.4 | -67.3 | -179 | 171 | 0 | 0 | 112.6 | F108 L129 R156 | F108-E160 HydrophobicContact CD1-CG 4.27Å; F108-E160 HydrophobicContact CD2-CG 4.47Å; F108-E160 HydrophobicContact CE1-CG 4.17Å; F108-E160 HydrophobicContact CE2-CG 4.37Å; F108-E160 HydrophobicContact CG-CG 4.41Å; F108-E160 HydrophobicContact CZ-CG 4.22Å; L129-E160 HydrophobicContact CD1-CG 4.19Å; R156-E160 HydrophobicContact CG-CG 4.13Å; R156-E160 IonicContact CZ-OE1 3.45Å; R156-E160 IonicContact CZ-OE2 3.79Å; R156-E160 VanDerWaalsContact NE-CD 3.31Å; R156-E160 IonicContact NE-OE1 3.23Å; R156-E160 PolarHBondContact NE-OE1 2.97Å; R156-E160 IonicContact NE-OE2 2.99Å; R156-E160 PolarHBondContact NE-OE2 3.16Å; R156-E160 IonicContact NH2-OE1 2.69Å; R156-E160 PolarHBondContact NH2-OE1 3.25Å; R156-E160 IonicContact NH2-OE2 2.89Å; R156-E160 PolarHBondContact NH2-OE2 3.02Å; R156-E160 VanDerWaalsContact NH2-OE2 3.15Å; R156-E160 WeakPolarHBondContact O-CB 3.28Å; R156-E160 PolarHBondContact O-N 3.29Å |
| 161 | G | 98.2 | Very high | 97.8 | Very high | 24 Ų | 24 | 52.4 Ų | 52.4 | 25% | 0.247 | 26% | 0.262 | C | S | . | . | I | π-helix | trans | -109.6 | -95.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A157 Y158 C163 V164 D165 | A157-G161 PolarHBondContact O-N 3.2Å; A157-G161 VanDerWaalsContact O-N 3.16Å; Y158-G161 CarbonylContact O-C 3.58Å; Y158-G161 PolarHBondContact O-N 3.26Å; G161-C163 PolarHBondContact O-N 2.88Å; G161-C163 VanDerWaalsContact O-N 3.09Å; G161-V164 PolarHBondContact O-N 2.96Å; G161-D165 PolarHBondContact O-N 3.29Å |
| 162 | T | 97.8 | Very high | 97.6 | Very high | 91 Ų | 91 | 57.2 Ų | 57.2 | 56% | 0.558 | 28% | 0.283 | S | S | * | . | I | π-helix | trans | -51.8 | -38.5 | -171.4 | -52.8 | 0 | 0 | 0 | 0 | 113.8 | Y158 G166 | Y158-T162 HydrophobicContact CD2-CG2 4.12Å; Y158-T162 HydrophobicContact CE2-CG2 3.92Å; Y158-T162 PolarHBondContact O-N 2.9Å; Y158-T162 VanDerWaalsContact O-N 3.16Å; T162-G166 PolarHBondContact O-N 3.11Å |
| 163 | C | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.1 | -47.6 | 177.5 | -173.4 | 0 | 0 | 0 | 0 | 111.8 | M4 C100 Y158 G161 G166 L167 | M4-C163 HydrophobicContact CE-CB 4.15Å; M4-C163 WeakPolarHBondContact CE-O 3.34Å; M4-C163 VanDerWaalsContact CE-SG 3.51Å; C100-C163 HydrophobicContact CB-CB 3.92Å; C100-C163 WeakPolarHBondContact CB-SG 3.33Å; C100-C163 PolarHBondContact N-SG 2.87Å; C100-C163 WeakPolarHBondContact SG-CB 3.39Å; C100-C163 PolarHBondContact SG-O 3.16Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 3.28Å; Y158-C163 HydrophobicContact CD1-CB 4.25Å; Y158-C163 HydrophobicContact CE1-CB 3.79Å; Y158-C163 WeakPolarHBondContact O-CB 3.49Å; Y158-C163 PolarHBondContact O-N 2.91Å; G161-C163 PolarHBondContact O-N 2.88Å; G161-C163 VanDerWaalsContact O-N 3.09Å; C163-G166 PolarHBondContact O-N 3.36Å; C163-L167 WeakPolarHBondContact O-CB 2.84Å; C163-L167 PolarHBondContact O-N 3.32Å |
| 164 | V | 98.5 | Very high | 97.1 | Very high | 5 Ų | 5 | 53 Ų | 53 | 3% | 0.03 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.8 | -43.5 | 179.9 | 173.7 | 0 | 0 | 0 | 0 | 110.8 | V102 F108 L159 G161 L167 R168 | V102-V164 HydrophobicContact CG1-CB 4.49Å; V102-V164 HydrophobicContact CG1-CG1 4.01Å; V102-V164 HydrophobicContact CG1-CG2 4.14Å; F108-V164 HydrophobicContact CB-CG2 4.04Å; F108-V164 HydrophobicContact CD2-CG2 3.71Å; F108-V164 HydrophobicContact CG-CG2 4.37Å; L159-V164 WeakPolarHBondContact O-CG2 3.49Å; G161-V164 PolarHBondContact O-N 2.96Å; V164-L167 PolarHBondContact O-N 3.5Å; V164-R168 VanDerWaalsContact O-CG 3.32Å; V164-R168 WeakPolarHBondContact O-CG 3.49Å; V164-R168 PolarHBondContact O-N 3.16Å |
| 165 | D | 97.9 | Very high | 96.8 | Very high | 97 Ų | 97 | 52.2 Ų | 52.2 | 52% | 0.519 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64.8 | -43.2 | 178.9 | -68.8 | -23.5 | 0 | 0 | 0 | 111.5 | G161 R168 R169 | G161-D165 PolarHBondContact O-N 3.29Å; D165-R168 PolarHBondContact O-N 3Å; D165-R169 WeakPolarHBondContact O-CB 3.26Å; D165-R169 PolarHBondContact O-N 2.96Å |
| 166 | G | 97 | Very high | 96.3 | Very high | 13 Ų | 13 | 58.7 Ų | 58.7 | 13% | 0.134 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.4 | -48.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | T162 C163 R168 R169 Y170 | T162-G166 PolarHBondContact O-N 3.11Å; C163-G166 PolarHBondContact O-N 3.36Å; G166-R168 PolarHBondContact O-N 3.01Å; G166-R169 WeakPolarHBondContact O-CB 3.5Å; G166-R169 PolarHBondContact O-N 3.19Å; G166-Y170 VanDerWaalsContact O-CD2 3.22Å; G166-Y170 WeakPolarHBondContact O-CD2 3.47Å; G166-Y170 PolarHBondContact O-N 3.16Å |
| 167 | L | 98 | Very high | 95.6 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60 | -44.6 | 178.3 | 176.9 | 53.2 | 0 | 0 | 0 | 111.8 | H2 M4 V27 V102 C163 V164 R169 Y170 L171 | H2-L167 HydrophobicContact CB-CD1 4.31Å; H2-L167 HydrophobicContact CB-CD2 4.36Å; M4-L167 HydrophobicContact CB-CB 4.09Å; M4-L167 HydrophobicContact CB-CD1 4.07Å; M4-L167 HydrophobicContact CB-CD2 4.17Å; M4-L167 HydrophobicContact CB-CG 4.33Å; M4-L167 HydrophobicContact CE-CB 4.45Å; M4-L167 HydrophobicContact SD-CB 4.44Å; V27-L167 HydrophobicContact CG1-CD1 3.64Å; V27-L167 HydrophobicContact CG2-CD1 4.26Å; V102-L167 HydrophobicContact CB-CD2 4.38Å; V102-L167 HydrophobicContact CG1-CD2 3.99Å; V102-L167 HydrophobicContact CG2-CD2 3.64Å; V102-L167 HydrophobicContact CG2-CG 4.29Å; C163-L167 WeakPolarHBondContact O-CB 2.84Å; C163-L167 PolarHBondContact O-N 3.32Å; V164-L167 PolarHBondContact O-N 3.5Å; L167-R169 VanDerWaalsContact C-N 3.35Å; L167-R169 PolarHBondContact O-N 2.73Å; L167-Y170 PolarHBondContact O-N 3.23Å; L167-L171 HydrophobicContact CD1-CD1 3.84Å; L167-L171 HydrophobicContact CD1-CD2 4.44Å; L167-L171 HydrophobicContact CD1-CG 3.87Å; L167-L171 HydrophobicContact CG-CD1 3.93Å; L167-L171 HydrophobicContact CG-CG 4.42Å; L167-L171 WeakPolarHBondContact O-CB 3.49Å; L167-L171 VanDerWaalsContact O-CG 3.23Å; L167-L171 WeakPolarHBondContact O-CG 3.34Å; L167-L171 PolarHBondContact O-N 3.2Å |
| 168 | R | 96.7 | Very high | 94.9 | Very high | 112 Ų | 112 | 56.8 Ų | 56.8 | 42% | 0.423 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.1 | -44.3 | 176 | -73.9 | 172.1 | 179 | 175 | -1 | 112.1 | G106 V164 D165 G166 L171 E172 | G106-R168 PolarHBondContact O-NE 3.41Å; G106-R168 PolarHBondContact O-NH2 2.84Å; V164-R168 VanDerWaalsContact O-CG 3.32Å; V164-R168 WeakPolarHBondContact O-CG 3.49Å; V164-R168 PolarHBondContact O-N 3.16Å; D165-R168 PolarHBondContact O-N 3Å; G166-R168 PolarHBondContact O-N 3.01Å; R168-L171 PolarHBondContact O-N 3.15Å; R168-E172 PolarHBondContact O-N 3.02Å; R168-E172 VanDerWaalsContact O-N 3.1Å |
| 169 | R | 96 | Very high | 94.1 | Very high | 130 Ų | 130 | 57.7 Ų | 57.7 | 49% | 0.491 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.8 | -47.3 | 176.6 | 178.3 | -179.7 | 178.8 | 165.2 | 9 | 111.3 | E54 D165 G166 L167 L171 E172 N173 | E54-R169 VanDerWaalsContact CD-CZ 3.43Å; E54-R169 IonicContact OE1-CZ 3.04Å; E54-R169 IonicContact OE1-NE 2.71Å; E54-R169 PolarHBondContact OE1-NE 3.05Å; E54-R169 IonicContact OE1-NH1 2.6Å; E54-R169 IonicContact OE1-NH2 3.68Å; E54-R169 PolarHBondContact OE1-NH2 3.03Å; E54-R169 IonicContact OE2-CZ 3.63Å; E54-R169 IonicContact OE2-NE 3.75Å; E54-R169 IonicContact OE2-NH1 2.7Å; E54-R169 PolarHBondContact OE2-NH1 3.13Å; E54-R169 IonicContact OE2-NH2 3.44Å; E54-R169 PolarHBondContact OE2-NH2 2.95Å; D165-R169 WeakPolarHBondContact O-CB 3.26Å; D165-R169 PolarHBondContact O-N 2.96Å; G166-R169 WeakPolarHBondContact O-CB 3.5Å; G166-R169 PolarHBondContact O-N 3.19Å; L167-R169 VanDerWaalsContact C-N 3.35Å; L167-R169 PolarHBondContact O-N 2.73Å; R169-L171 PolarHBondContact O-N 3.23Å; R169-E172 PolarHBondContact O-N 3.09Å; R169-N173 PolarHBondContact O-N 2.74Å; R169-N173 PolarHBondContact O-OD1 2.89Å |
| 170 | Y | 96.3 | Very high | 93 | Very high | 14 Ų | 14 | 67.8 Ų | 67.8 | 6% | 0.055 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -68.2 | -35.5 | -178.9 | -59.1 | -25.7 | 0 | 0 | 0 | 112.9 | M4 V27 F32 W50 I51 Y58 G166 L167 E172 N173 G174 | M4-Y170 HydrophobicContact SD-CD2 3.71Å; M4-Y170 HydrophobicContact SD-CE2 3.53Å; M4-Y170 VanDerWaalsContact SD-CE2 3.53Å; V27-Y170 HydrophobicContact CG2-CD2 3.9Å; V27-Y170 HydrophobicContact CG2-CG 4.44Å; F32-Y170 HydrophobicContact CE2-CD2 4.11Å; F32-Y170 AromaticContact CE2-CE2 3.64Å; F32-Y170 HydrophobicContact CE2-CE2 3.64Å; F32-Y170 HydrophobicContact CZ-CD2 4.16Å; F32-Y170 AromaticContact CZ-CE2 3.72Å; F32-Y170 HydrophobicContact CZ-CE2 3.72Å; W50-Y170 HydrophobicContact CH2-CG 4.25Å; W50-Y170 AromaticContact CZ3-CD1 3.94Å; W50-Y170 HydrophobicContact CZ3-CD1 3.94Å; W50-Y170 HydrophobicContact CZ3-CD2 4.37Å; W50-Y170 AromaticContact CZ3-CG 3.69Å; W50-Y170 HydrophobicContact CZ3-CG 3.69Å; I51-Y170 HydrophobicContact CD1-CD1 3.66Å; I51-Y170 HydrophobicContact CD1-CE1 3.36Å; I51-Y170 HydrophobicContact CD1-CG 4.48Å; Y58-Y170 HydrophobicContact CE2-CE1 4.46Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.47Å; Y58-Y170 PolarHBondContact OH-OH 3.07Å; G166-Y170 VanDerWaalsContact O-CD2 3.22Å; G166-Y170 WeakPolarHBondContact O-CD2 3.47Å; G166-Y170 PolarHBondContact O-N 3.16Å; L167-Y170 PolarHBondContact O-N 3.23Å; Y170-E172 VanDerWaalsContact C-N 3.32Å; Y170-E172 PolarHBondContact O-N 3.31Å; Y170-N173 PolarHBondContact O-N 3.11Å; Y170-G174 PolarHBondContact O-N 3.21Å |
| 171 | L | 96.2 | Very high | 90.8 | Very high | 13 Ų | 13 | 73.9 Ų | 73.9 | 7% | 0.068 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -64.8 | -35.3 | 173.7 | -73.5 | 169.4 | 0 | 0 | 0 | 112.7 | H2 V27 L167 R168 R169 K175 L178 Q179 | H2-L171 HydrophobicContact CB-CD1 3.65Å; H2-L171 HydrophobicContact CB-CD2 4.03Å; H2-L171 HydrophobicContact CB-CG 4.41Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.37Å; V27-L171 HydrophobicContact CG1-CD2 4.09Å; L167-L171 HydrophobicContact CD1-CD1 3.84Å; L167-L171 HydrophobicContact CD1-CD2 4.44Å; L167-L171 HydrophobicContact CD1-CG 3.87Å; L167-L171 HydrophobicContact CG-CD1 3.93Å; L167-L171 HydrophobicContact CG-CG 4.42Å; L167-L171 WeakPolarHBondContact O-CB 3.49Å; L167-L171 VanDerWaalsContact O-CG 3.23Å; L167-L171 WeakPolarHBondContact O-CG 3.34Å; L167-L171 PolarHBondContact O-N 3.2Å; R168-L171 PolarHBondContact O-N 3.15Å; R169-L171 PolarHBondContact O-N 3.23Å; L171-K175 VanDerWaalsContact O-CA 3.32Å; L171-K175 WeakPolarHBondContact O-CA 3.36Å; L171-K175 PolarHBondContact O-N 2.87Å; L171-K175 VanDerWaalsContact O-N 3.14Å; L171-L178 HydrophobicContact CD2-CB 4.3Å; L171-L178 HydrophobicContact CD2-CD1 4.32Å; L171-Q179 PolarHBondContact O-NE2 3.43Å |
| 172 | E | 94.8 | Very high | 90.4 | Very high | 121 Ų | 121 | 76.4 Ų | 76.4 | 57% | 0.565 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -71.8 | -46.2 | 174.4 | -171.3 | 59.7 | -154 | 0 | 0 | 111 | R168 R169 Y170 G174 K175 | R168-E172 PolarHBondContact O-N 3.02Å; R168-E172 VanDerWaalsContact O-N 3.1Å; R169-E172 PolarHBondContact O-N 3.09Å; Y170-E172 VanDerWaalsContact C-N 3.32Å; Y170-E172 PolarHBondContact O-N 3.31Å; E172-G174 VanDerWaalsContact C-N 3.31Å; E172-G174 PolarHBondContact O-N 3.39Å; E172-K175 WeakPolarHBondContact O-CB 3.47Å; E172-K175 PolarHBondContact O-N 3.46Å |
| 173 | N | 93.8 | Very high | 90 | Very high | 43 Ų | 43 | 75.6 Ų | 75.6 | 23% | 0.23 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -59.7 | -42.1 | 177 | -64.4 | -4.3 | 0 | 0 | 0 | 112.1 | W50 Q53 E54 R169 Y170 | W50-N173 HydrophobicContact CB-CB 4.31Å; Q53-N173 PolarHBondContact NE2-ND2 3.04Å; Q53-N173 PolarHBondContact NE2-OD1 3.47Å; E54-N173 PolarHBondContact OE1-ND2 3.35Å; R169-N173 PolarHBondContact O-N 2.74Å; R169-N173 PolarHBondContact O-OD1 2.89Å; Y170-N173 PolarHBondContact O-N 3.11Å |
| 174 | G | 92.4 | Very high | 89.5 | Confident | 2 Ų | 2 | 79.8 Ų | 79.8 | 2% | 0.021 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | 13.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y170 E172 E176 T177 L178 | Y170-G174 PolarHBondContact O-N 3.21Å; E172-G174 VanDerWaalsContact C-N 3.31Å; E172-G174 PolarHBondContact O-N 3.39Å; G174-E176 VanDerWaalsContact C-N 3.26Å; G174-E176 PolarHBondContact O-N 3.17Å; G174-E176 VanDerWaalsContact O-N 3.09Å; G174-T177 PolarHBondContact O-N 3.32Å; G174-T177 PolarHBondContact O-OG1 2.86Å; G174-L178 PolarHBondContact O-N 3.25Å |
| 175 | K | 90.9 | Very high | 89 | Confident | 108 Ų | 108 | 84.2 Ų | 84.2 | 47% | 0.47 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -49.4 | -41.7 | -169 | -173.9 | 174 | -174.7 | 171.3 | 0 | 114.4 | L171 E172 T177 Q179 | L171-K175 VanDerWaalsContact O-CA 3.32Å; L171-K175 WeakPolarHBondContact O-CA 3.36Å; L171-K175 PolarHBondContact O-N 2.87Å; L171-K175 VanDerWaalsContact O-N 3.14Å; E172-K175 WeakPolarHBondContact O-CB 3.47Å; E172-K175 PolarHBondContact O-N 3.46Å; K175-T177 PolarHBondContact O-N 2.89Å; K175-Q179 WeakPolarHBondContact O-CB 3.44Å; K175-Q179 PolarHBondContact O-N 3.06Å |
| 176 | E | 86.3 | Confident | 88.4 | Confident | 175 Ų | 175 | 83.4 Ų | 83.4 | 82% | 0.818 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -66 | -23.1 | 180 | -61.7 | -172.9 | 166.3 | 0 | 0 | 113.8 | G174 R180 | G174-E176 VanDerWaalsContact C-N 3.26Å; G174-E176 PolarHBondContact O-N 3.17Å; G174-E176 VanDerWaalsContact O-N 3.09Å; E176-R180 WeakPolarHBondContact O-CD 3.33Å; E176-R180 WeakPolarHBondContact O-CG 3.49Å |
| 177 | T | 85.1 | Confident | 87.9 | Confident | 87 Ų | 87 | 88.1 Ų | 88.1 | 53% | 0.534 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -107.4 | -44.3 | -176.9 | 57 | 0 | 0 | 0 | 0 | 112.8 | G174 K175 | G174-T177 PolarHBondContact O-N 3.32Å; G174-T177 PolarHBondContact O-OG1 2.86Å; K175-T177 PolarHBondContact O-N 2.89Å |
| 178 | L | 83.9 | Confident | 87.2 | Confident | 19 Ų | 19 | 94.4 Ų | 94.4 | 10% | 0.099 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -83.8 | -21.5 | -173.3 | -62.1 | 173.2 | 0 | 0 | 0 | 113.3 | V27 T30 W50 L171 G174 | V27-L178 HydrophobicContact CB-CD1 4.42Å; V27-L178 HydrophobicContact CG1-CD1 3.86Å; V27-L178 HydrophobicContact CG1-CD2 4.36Å; T30-L178 HydrophobicContact CG2-CD2 4.23Å; W50-L178 HydrophobicContact CD2-CD1 4.46Å; W50-L178 HydrophobicContact CZ2-CD1 3.91Å; W50-L178 HydrophobicContact CZ2-CD2 4.38Å; L171-L178 HydrophobicContact CD2-CB 4.3Å; L171-L178 HydrophobicContact CD2-CD1 4.32Å; G174-L178 PolarHBondContact O-N 3.25Å |
| 179 | Q | 81.1 | Confident | 86.4 | Confident | 78 Ų | 78 | 93.1 Ų | 93.1 | 36% | 0.364 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.1 | 19.4 | -177.3 | -56.7 | -178.7 | 17.1 | 0 | 0 | 113 | L171 K175 T181 | L171-Q179 PolarHBondContact O-NE2 3.43Å; K175-Q179 WeakPolarHBondContact O-CB 3.44Å; K175-Q179 PolarHBondContact O-N 3.06Å; Q179-T181 PolarHBondContact O-N 3.02Å |
| 180 | R | 74.3 | Confident | 85.6 | Confident | 213 Ų | 213 | 90 Ų | 90 | 80% | 0.804 | 44% | 0.441 | S | S | * | . | trans | -69.2 | 103 | 168.3 | -93.2 | 177.3 | 76.8 | 168.3 | 2.1 | 109.4 | E176 | E176-R180 WeakPolarHBondContact O-CD 3.33Å; E176-R180 WeakPolarHBondContact O-CG 3.49Å | ||
| 181 | T | 52.3 | Low | 84.7 | Confident | 207 Ų | 207 | 96.9 Ų | 96.9 | 100% | 1.27 | 48% | 0.477 | S | S | * | . | trans | -63.5 | 0 | 159.6 | 46.5 | 0 | 0 | 0 | 0 | 111.8 | Q179 | Q179-T181 PolarHBondContact O-N 3.02Š|
Retrieved 181 of 181 residues in 107.9 ms
(Link to these results)