| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | S | 93.3 | Very high | 98.1 | Very high | 95 Ų | 95 | 37.9 Ų | 37.9 | 66% | 0.664 | 20% | 0.2 | S | C | * | . | 0 | 147.4 | 0 | -54.4 | 0 | 0 | 0 | 0 | 107.8 | L102 | S1-L102 WeakPolarHBondContact CA-O 3.29Å; S1-L102 VanDerWaalsContact CB-O 3.29Å; S1-L102 WeakPolarHBondContact CB-O 3.31Å | |||
| 2 | H | 97.4 | Very high | 98 | Very high | 52 Ų | 52 | 36.4 Ų | 36.4 | 24% | 0.241 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 159.4 | -179.1 | -67.5 | -76.4 | 0 | 0 | 0 | 109.8 | D28 D101 L102 L167 L171 | H2-D28 WeakPolarHBondContact CA-OD1 3.48Å; H2-D28 IonicContact CE1-OD2 2.8Å; H2-D28 IonicContact CG-OD2 3.73Å; H2-D28 IonicContact ND1-OD1 2.63Å; H2-D28 IonicContact ND1-OD2 3.07Å; H2-D28 PolarHBondContact ND1-OD2 3.47Å; H2-D101 CarbonylContact O-C 3.57Å; H2-D101 WeakPolarHBondContact O-CA 3.49Å; H2-L102 PolarHBondContact N-O 3.49Å; H2-L102 VanDerWaalsContact N-O 3.11Å; H2-L102 PolarHBondContact O-N 2.82Å; H2-L167 HydrophobicContact CB-CD1 4.37Å; H2-L171 HydrophobicContact CB-CD1 3.65Å; H2-L171 HydrophobicContact CB-CD2 4.02Å; H2-L171 HydrophobicContact CB-CG 4.4Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.48Å |
| 3 | S | 98.4 | Very high | 97.8 | Very high | 28 Ų | 28 | 38.7 Ų | 38.7 | 20% | 0.196 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 151.5 | 178.9 | 62.3 | 0 | 0 | 0 | 0 | 111.5 | V27 D28 C100 D101 | S3-V27 CarbonylContact O-C 3.58Å; S3-V27 WeakPolarHBondContact O-CA 3.45Å; S3-D28 PolarHBondContact N-OD1 3.36Å; S3-D28 PolarHBondContact O-N 2.95Å; S3-C100 WeakPolarHBondContact CA-O 3.35Å; S3-D101 WeakPolarHBondContact CB-OD1 3.28Å |
| 4 | M | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 129 | 166.8 | -172 | 173.1 | 60.7 | 0 | 0 | 107.9 | Y6 Y26 V27 F32 G99 C100 C163 L167 Y170 | M4-Y6 HydrophobicContact CE-CE2 4.09Å; M4-Y6 HydrophobicContact CG-CE2 4.14Å; M4-Y6 HydrophobicContact SD-CE2 4.01Å; M4-Y26 CarbonylContact C-O 3.56Å; M4-Y26 VanDerWaalsContact CA-O 3.29Å; M4-Y26 WeakPolarHBondContact CA-O 3.23Å; M4-V27 HydrophobicContact CG-CG2 4.31Å; M4-F32 HydrophobicContact CG-CE1 4.44Å; M4-F32 HydrophobicContact SD-CZ 4.35Å; M4-G99 CarbonylContact O-C 3.56Å; M4-G99 WeakPolarHBondContact O-CA 3.44Å; M4-C100 PolarHBondContact N-O 3.24Å; M4-C100 PolarHBondContact O-N 2.84Å; M4-C163 HydrophobicContact CE-CB 4.16Å; M4-C163 VanDerWaalsContact CE-O 3.28Å; M4-C163 WeakPolarHBondContact CE-O 3.38Å; M4-C163 WeakPolarHBondContact CE-SG 3.49Å; M4-L167 HydrophobicContact CB-CB 4.09Å; M4-L167 HydrophobicContact CB-CD1 4.08Å; M4-L167 HydrophobicContact CB-CD2 4Å; M4-L167 HydrophobicContact CB-CG 4.28Å; M4-L167 HydrophobicContact CE-CB 4.47Å; M4-L167 HydrophobicContact SD-CB 4.48Å; M4-Y170 HydrophobicContact SD-CD2 3.82Å; M4-Y170 HydrophobicContact SD-CE2 3.72Å |
| 5 | R | 98.7 | Very high | 96.9 | Very high | 55 Ų | 55 | 43.3 Ų | 43.3 | 21% | 0.208 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 134.5 | -178 | -64.8 | -70.6 | 176.5 | 87.9 | 10.4 | 110.6 | F7 G25 Y26 M97 D101 H112 | R5-F7 HydrophobicContact CB-CD2 4.41Å; R5-F7 HydrophobicContact CB-CE2 3.59Å; R5-F7 HydrophobicContact CB-CZ 3.92Å; R5-G25 CarbonylContact O-C 3.55Å; R5-G25 WeakPolarHBondContact O-CA 3.3Å; R5-Y26 PolarHBondContact N-O 2.65Å; R5-Y26 PolarHBondContact O-N 3.38Å; R5-M97 VanDerWaalsContact CD-SD 3.54Å; R5-D101 IonicContact CZ-OD1 3.71Å; R5-D101 IonicContact NE-OD1 3.53Å; R5-D101 IonicContact NH2-OD1 2.74Å; R5-D101 PolarHBondContact NH2-OD1 3Å; R5-D101 IonicContact NH2-OD2 3.7Å; R5-D101 PolarHBondContact NH2-OD2 3.47Å; R5-H112 PolarHBondContact NH2-CE1 3.29Å; R5-H112 PolarHBondContact NH2-NE2 2.83Å |
| 6 | Y | 98.8 | Very high | 96.6 | Very high | 15 Ų | 15 | 54.4 Ų | 54.4 | 6% | 0.059 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 140.2 | 166.9 | -69.2 | -89.7 | 0 | 0 | 0 | 109.5 | M4 V24 F32 V33 Y66 M97 F98 | M4-Y6 HydrophobicContact CE-CE2 4.09Å; M4-Y6 HydrophobicContact CG-CE2 4.14Å; M4-Y6 HydrophobicContact SD-CE2 4.01Å; Y6-V24 CarbonylContact C-O 3.58Å; Y6-V24 WeakPolarHBondContact CA-O 3.31Å; Y6-F32 HydrophobicContact CE1-CZ 4.1Å; Y6-F32 AromaticContact CZ-CZ 3.82Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.36Å; Y6-V33 HydrophobicContact CE1-CG2 3.95Å; Y6-Y66 WeakPolarHBondContact CE1-OH 3.37Å; Y6-M97 WeakPolarHBondContact O-CA 3.49Å; Y6-F98 VanDerWaalsContact CB-CE1 3.48Å; Y6-F98 VanDerWaalsContact CB-CZ 3.42Å; Y6-F98 AromaticContact CD2-CE2 3.89Å; Y6-F98 HydrophobicContact CD2-CE2 3.89Å; Y6-F98 AromaticContact CD2-CZ 3.98Å; Y6-F98 HydrophobicContact CD2-CZ 3.98Å; Y6-F98 HydrophobicContact CG-CE1 4.38Å; Y6-F98 HydrophobicContact CG-CE2 4.22Å; Y6-F98 AromaticContact CG-CZ 3.83Å; Y6-F98 HydrophobicContact CG-CZ 3.83Å; Y6-F98 PolarHBondContact N-O 2.79Å; Y6-F98 PolarHBondContact O-N 3.49Å; Y6-F98 VanDerWaalsContact O-N 3.13Å |
| 7 | F | 98.8 | Very high | 96.2 | Very high | 80 Ų | 80 | 54.5 Ų | 54.5 | 35% | 0.351 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 115.2 | 177.1 | -58 | -94.7 | 0 | 0 | 0 | 108.9 | R5 S23 V24 Y26 R96 M97 | R5-F7 HydrophobicContact CB-CD2 4.41Å; R5-F7 HydrophobicContact CB-CE2 3.59Å; R5-F7 HydrophobicContact CB-CZ 3.92Å; F7-S23 WeakPolarHBondContact O-CA 3.39Å; F7-V24 HydrophobicContact CB-CG2 3.84Å; F7-V24 HydrophobicContact CD2-CG2 4.23Å; F7-V24 HydrophobicContact CG-CG2 4.47Å; F7-V24 PolarHBondContact N-O 2.77Å; F7-V24 PolarHBondContact O-N 2.92Å; F7-Y26 AromaticContact CD2-CD2 4Å; F7-Y26 HydrophobicContact CD2-CD2 4Å; F7-Y26 HydrophobicContact CD2-CE2 4.4Å; F7-Y26 AromaticContact CE2-CD2 3.92Å; F7-Y26 HydrophobicContact CE2-CD2 3.92Å; F7-R96 WeakPolarHBondContact CA-O 3.38Å; F7-M97 HydrophobicContact CD1-CB 4.01Å; F7-M97 HydrophobicContact CD1-CG 3.74Å; F7-M97 HydrophobicContact CE1-CB 4.13Å; F7-M97 HydrophobicContact CE1-CG 3.42Å; F7-M97 VanDerWaalsContact CE1-CG 3.42Å; F7-M97 HydrophobicContact CZ-CG 4.07Å |
| 8 | Y | 98.8 | Very high | 96 | Very high | 14 Ų | 14 | 57.1 Ų | 57.1 | 6% | 0.055 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 140.3 | 173.7 | -61 | -7.5 | 0 | 0 | 0 | 109.1 | F21 I22 S23 Y66 Q69 Q95 R96 F98 | Y8-F21 HydrophobicContact CD1-CZ 4.07Å; Y8-F21 HydrophobicContact CD2-CE2 4.06Å; Y8-F21 AromaticContact CD2-CZ 3.99Å; Y8-F21 HydrophobicContact CD2-CZ 3.99Å; Y8-F21 HydrophobicContact CE2-CZ 4.39Å; Y8-F21 AromaticContact CG-CE2 3.93Å; Y8-F21 HydrophobicContact CG-CE2 3.93Å; Y8-F21 AromaticContact CG-CZ 3.8Å; Y8-F21 HydrophobicContact CG-CZ 3.8Å; Y8-I22 CarbonylContact C-O 3.54Å; Y8-I22 WeakPolarHBondContact CA-O 3.19Å; Y8-S23 WeakPolarHBondContact CD1-OG 3.29Å; Y8-S23 WeakPolarHBondContact CE1-OG 3.18Å; Y8-Y66 HydrophobicContact CE1-CD1 4.16Å; Y8-Y66 AromaticContact CE1-CE1 3.67Å; Y8-Y66 HydrophobicContact CE1-CE1 3.67Å; Y8-Y66 AromaticContact CZ-CE1 3.79Å; Y8-Y66 WeakPolarHBondContact OH-CE1 3.35Å; Y8-Q69 HydrophobicContact CD2-CG 3.7Å; Y8-Q69 HydrophobicContact CE2-CG 3.61Å; Y8-Q95 VanDerWaalsContact O-CA 3.28Å; Y8-Q95 WeakPolarHBondContact O-CA 3.14Å; Y8-R96 PolarHBondContact N-O 2.84Å; Y8-R96 PolarHBondContact O-N 2.84Å; Y8-F98 HydrophobicContact CD1-CE1 4.14Å; Y8-F98 HydrophobicContact CD2-CE1 4.03Å; Y8-F98 AromaticContact CE1-CE1 3.63Å; Y8-F98 HydrophobicContact CE1-CE1 3.63Å; Y8-F98 AromaticContact CE1-CZ 3.94Å; Y8-F98 HydrophobicContact CE1-CZ 3.94Å; Y8-F98 AromaticContact CE2-CE1 3.54Å; Y8-F98 HydrophobicContact CE2-CE1 3.54Å; Y8-F98 HydrophobicContact CE2-CZ 4.01Å; Y8-F98 HydrophobicContact CG-CE1 4.32Å; Y8-F98 AromaticContact CZ-CE1 3.34Å; Y8-F98 AromaticContact CZ-CZ 3.49Å; Y8-F98 VanDerWaalsContact CZ-CZ 3.49Å; Y8-F98 VanDerWaalsContact OH-CZ 3.28Å; Y8-F98 WeakPolarHBondContact OH-CZ 3.33Å |
| 9 | T | 98.8 | Very high | 96.1 | Very high | 31 Ų | 31 | 55.6 Ų | 55.6 | 19% | 0.19 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 116.5 | 174.3 | -61.4 | 0 | 0 | 0 | 0 | 108.9 | M11 F21 I22 T93 L94 Q95 | T9-M11 HydrophobicContact CG2-CE 4.38Å; T9-M11 HydrophobicContact CG2-CG 3.96Å; T9-M11 HydrophobicContact CG2-SD 4.3Å; T9-F21 WeakPolarHBondContact O-CA 3.35Å; T9-I22 PolarHBondContact N-O 3.21Å; T9-I22 PolarHBondContact O-N 2.85Å; T9-T93 HydrophobicContact CG2-CG2 3.84Å; T9-L94 WeakPolarHBondContact CA-O 3.4Å; T9-Q95 HydrophobicContact CG2-CG 4.26Å |
| 10 | A | 98.7 | Very high | 96.2 | Very high | 2 Ų | 2 | 56 Ų | 56 | 2% | 0.017 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 123.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | R20 F21 D73 L77 T93 L94 | A10-R20 CarbonylContact C-O 3.56Å; A10-R20 VanDerWaalsContact CA-O 3.29Å; A10-R20 WeakPolarHBondContact CA-O 3.5Å; A10-F21 HydrophobicContact CB-CD2 4.39Å; A10-D73 HydrophobicContact CB-CB 3.6Å; A10-L77 HydrophobicContact CB-CD1 3.89Å; A10-T93 WeakPolarHBondContact O-CA 3.29Å; A10-L94 HydrophobicContact CB-CB 4.46Å; A10-L94 PolarHBondContact N-O 2.81Å; A10-L94 PolarHBondContact O-N 3.29Å |
| 11 | M | 98.4 | Very high | 96.3 | Very high | 45 Ų | 45 | 53.4 Ų | 53.4 | 22% | 0.222 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 115.5 | -176.8 | -64.6 | 166.1 | -73.2 | 0 | 0 | 110 | T9 P19 R20 I22 H92 T93 | T9-M11 HydrophobicContact CG2-CE 4.38Å; T9-M11 HydrophobicContact CG2-CG 3.96Å; T9-M11 HydrophobicContact CG2-SD 4.3Å; M11-P19 CarbonylContact O-C 3.58Å; M11-P19 WeakPolarHBondContact O-CA 3.47Å; M11-P19 WeakPolarHBondContact O-CB 3.42Å; M11-R20 HydrophobicContact CE-CB 4.25Å; M11-R20 HydrophobicContact CE-CG 4.22Å; M11-R20 PolarHBondContact N-O 3.45Å; M11-R20 PolarHBondContact O-N 3.22Å; M11-I22 HydrophobicContact CE-CD1 3.92Å; M11-H92 WeakPolarHBondContact CA-O 3.47Å; M11-T93 HydrophobicContact CG-CG2 3.95Å |
| 12 | S | 97.6 | Very high | 96.5 | Very high | 20 Ų | 20 | 50.1 Ų | 50.1 | 14% | 0.14 | 27% | 0.27 | C | S | . | . | trans | -71.3 | 144.7 | 173.5 | 77.2 | 0 | 0 | 0 | 0 | 111 | S91 H92 | S12-S91 WeakPolarHBondContact O-CB 3.2Å; S12-S91 PolarHBondContact O-OG 3.28Å; S12-H92 PolarHBondContact N-O 3.44Å; S12-H92 PolarHBondContact OG-N 3.06Å; S12-H92 PolarHBondContact OG-O 3.42Å | ||
| 13 | R | 95.3 | Very high | 96.6 | Very high | 66 Ų | 66 | 47.7 Ų | 47.7 | 25% | 0.249 | 26% | 0.259 | C | S | . | . | trans | -139.7 | 74.9 | -174.2 | -59.5 | 166.9 | 174.4 | -169.5 | -12.1 | 110.6 | G15 R16 D38 | R13-G15 PolarHBondContact O-N 3.32Å; R13-R16 HydrophobicContact CB-CB 4.09Å; R13-R16 PolarHBondContact O-N 3.08Å; R13-D38 IonicContact CZ-OD2 3.34Å; R13-D38 IonicContact NH1-OD1 3.09Å; R13-D38 IonicContact NH1-OD2 3.13Å; R13-D38 PolarHBondContact NH1-OD2 3.06Å; R13-D38 IonicContact NH2-OD2 3.5Å | ||
| 14 | P | 91.3 | Very high | 96.6 | Very high | 57 Ų | 57 | 47.4 Ų | 47.4 | 37% | 0.37 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.9 | 129.4 | -177.9 | -26.9 | 34.9 | 0 | 0 | 0 | 111.9 | R16 E88 G90 | P14-R16 VanDerWaalsContact C-N 3.26Å; P14-R16 PolarHBondContact O-N 3.1Å; P14-E88 WeakPolarHBondContact CB-O 3.23Å; P14-E88 VanDerWaalsContact CG-O 3.27Å; P14-E88 WeakPolarHBondContact CG-O 3.42Å; P14-G90 WeakPolarHBondContact CG-O 3.45Å |
| 15 | G | 90.7 | Very high | 96.6 | Very high | 90 Ų | 90 | 47.4 Ų | 47.4 | 93% | 0.928 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.9 | 2.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | R13 | R13-G15 PolarHBondContact O-N 3.32Š|
| 16 | R | 91.1 | Very high | 96.6 | Very high | 220 Ų | 220 | 48.1 Ų | 48.1 | 83% | 0.83 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -124 | 23.4 | 179.6 | -58.3 | -173.7 | 179.6 | -176.3 | 0.5 | 113.6 | R13 P14 | R13-R16 HydrophobicContact CB-CB 4.09Å; R13-R16 PolarHBondContact O-N 3.08Å; P14-R16 VanDerWaalsContact C-N 3.26Å; P14-R16 PolarHBondContact O-N 3.1Å |
| 17 | G | 90.3 | Very high | 96.6 | Very high | 57 Ų | 57 | 47.4 Ų | 47.4 | 59% | 0.588 | 26% | 0.257 | S | S | * | . | S | Bend | trans | 96.2 | -155 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 18 | E | 93.3 | Very high | 96.5 | Very high | 101 Ų | 101 | 45.5 Ų | 45.5 | 47% | 0.472 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -72.5 | 158.8 | -178.5 | -64.7 | -57.2 | 161.9 | 0 | 0 | 112.6 | R20 R74 | E18-R20 PolarHBondContact O-N 3.11Å; E18-R74 VanDerWaalsContact CD-NE 3.31Å; E18-R74 IonicContact OE1-CZ 3.5Å; E18-R74 IonicContact OE1-NE 2.66Å; E18-R74 IonicContact OE1-NH1 3.31Å; E18-R74 IonicContact OE1-NH2 2.82Å; E18-R74 PolarHBondContact OE1-NH2 2.73Å; E18-R74 WeakPolarHBondContact OE2-CD 3.36Å; E18-R74 IonicContact OE2-CZ 3.56Å; E18-R74 IonicContact OE2-NE 3.63Å; E18-R74 PolarHBondContact OE2-NE 3.04Å; E18-R74 IonicContact OE2-NH2 3.35Å; E18-R74 PolarHBondContact OE2-NH2 3.09Å |
| 19 | P | 96.7 | Very high | 96.4 | Very high | 28 Ų | 28 | 52.4 Ų | 52.4 | 18% | 0.182 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -55.7 | 135.5 | 171.4 | -24.1 | 34.7 | 0 | 0 | 0 | 111.3 | M11 R74 L77 | M11-P19 CarbonylContact O-C 3.58Å; M11-P19 WeakPolarHBondContact O-CA 3.47Å; M11-P19 WeakPolarHBondContact O-CB 3.42Å; P19-R74 HydrophobicContact CG-CB 4.27Å; P19-R74 HydrophobicContact CG-CG 4.13Å; P19-L77 HydrophobicContact CB-CD1 3.66Å; P19-L77 HydrophobicContact CG-CD1 3.85Å |
| 20 | R | 98.2 | Very high | 96.4 | Very high | 64 Ų | 64 | 53.7 Ų | 53.7 | 24% | 0.242 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 132 | 169.9 | 176.7 | -175.5 | -169.9 | 176.6 | 11 | 109.1 | A10 M11 E18 I22 D36 S37 D38 | A10-R20 CarbonylContact C-O 3.56Å; A10-R20 VanDerWaalsContact CA-O 3.29Å; A10-R20 WeakPolarHBondContact CA-O 3.5Å; M11-R20 HydrophobicContact CE-CB 4.25Å; M11-R20 HydrophobicContact CE-CG 4.22Å; M11-R20 PolarHBondContact N-O 3.45Å; M11-R20 PolarHBondContact O-N 3.22Å; E18-R20 PolarHBondContact O-N 3.11Å; R20-I22 HydrophobicContact CG-CG1 4.16Å; R20-D36 IonicContact CZ-OD1 2.79Å; R20-D36 IonicContact CZ-OD2 2.68Å; R20-D36 IonicContact NE-OD1 3.58Å; R20-D36 PolarHBondContact NE-OD1 3.17Å; R20-D36 IonicContact NE-OD2 3.67Å; R20-D36 IonicContact NH2-OD1 3.82Å; R20-D36 PolarHBondContact NH2-OD1 2.93Å; R20-D36 IonicContact NH2-OD2 3.69Å; R20-D36 PolarHBondContact NH2-OD2 2.68Å; R20-S37 WeakPolarHBondContact CA-OG 3.46Å; R20-D38 VanDerWaalsContact CD-OD2 3.24Å; R20-D38 WeakPolarHBondContact CD-OD2 3.39Å; R20-D38 HydrophobicContact CG-CB 4.35Å; R20-D38 IonicContact NE-OD2 3.4Å |
| 21 | F | 98.7 | Very high | 96.3 | Very high | 2 Ų | 2 | 56.1 Ų | 56.1 | 1% | 0.009 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 129.3 | 172.9 | 175.9 | -93.6 | 0 | 0 | 0 | 110 | Y8 T9 A10 F35 S37 Y66 Q69 A70 D73 | Y8-F21 HydrophobicContact CD1-CZ 4.07Å; Y8-F21 HydrophobicContact CD2-CE2 4.06Å; Y8-F21 AromaticContact CD2-CZ 3.99Å; Y8-F21 HydrophobicContact CD2-CZ 3.99Å; Y8-F21 HydrophobicContact CE2-CZ 4.39Å; Y8-F21 AromaticContact CG-CE2 3.93Å; Y8-F21 HydrophobicContact CG-CE2 3.93Å; Y8-F21 AromaticContact CG-CZ 3.8Å; Y8-F21 HydrophobicContact CG-CZ 3.8Å; T9-F21 WeakPolarHBondContact O-CA 3.35Å; A10-F21 HydrophobicContact CB-CD2 4.39Å; F21-F35 AromaticContact CD1-CD1 3.7Å; F21-F35 HydrophobicContact CD1-CD1 3.7Å; F21-F35 AromaticContact CD1-CE1 3.82Å; F21-F35 HydrophobicContact CD1-CE1 3.82Å; F21-F35 AromaticContact CE1-CD1 3.91Å; F21-F35 HydrophobicContact CE1-CD1 3.91Å; F21-F35 HydrophobicContact CE1-CE1 4.32Å; F21-S37 PolarHBondContact N-OG 3.31Å; F21-S37 PolarHBondContact O-N 3.13Å; F21-S37 PolarHBondContact O-OG 2.99Å; F21-Y66 HydrophobicContact CE1-CD1 4.09Å; F21-Y66 HydrophobicContact CE1-CG 4.38Å; F21-Y66 HydrophobicContact CZ-CD1 4.3Å; F21-Q69 HydrophobicContact CE2-CB 4.34Å; F21-Q69 HydrophobicContact CE2-CG 3.68Å; F21-Q69 HydrophobicContact CZ-CB 4.07Å; F21-Q69 HydrophobicContact CZ-CG 3.73Å; F21-A70 HydrophobicContact CB-CB 3.64Å; F21-A70 HydrophobicContact CD1-CB 3.98Å; F21-A70 HydrophobicContact CD2-CB 4.41Å; F21-A70 HydrophobicContact CG-CB 3.76Å; F21-D73 HydrophobicContact CD2-CB 4.47Å; F21-D73 WeakPolarHBondContact CD2-OD2 3.5Å; F21-D73 WeakPolarHBondContact CE2-OD2 3.48Å |
| 22 | I | 98.8 | Very high | 96.3 | Very high | 26 Ų | 26 | 54 Ų | 54 | 13% | 0.133 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 134.6 | 172.6 | -61.3 | 167.1 | 0 | 0 | 0 | 107.8 | Y8 T9 M11 R20 V24 F35 | Y8-I22 CarbonylContact C-O 3.54Å; Y8-I22 WeakPolarHBondContact CA-O 3.19Å; T9-I22 PolarHBondContact N-O 3.21Å; T9-I22 PolarHBondContact O-N 2.85Å; M11-I22 HydrophobicContact CE-CD1 3.92Å; R20-I22 HydrophobicContact CG-CG1 4.16Å; I22-V24 HydrophobicContact CG2-CG1 4.27Å; I22-F35 WeakPolarHBondContact CA-O 3.41Å |
| 23 | S | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 138.7 | 166.1 | 169.2 | 0 | 0 | 0 | 0 | 109.4 | F7 Y8 R34 F35 Y66 | F7-S23 WeakPolarHBondContact O-CA 3.39Å; Y8-S23 WeakPolarHBondContact CD1-OG 3.29Å; Y8-S23 WeakPolarHBondContact CE1-OG 3.18Å; S23-R34 CarbonylContact O-C 3.57Å; S23-R34 WeakPolarHBondContact O-CA 3.32Å; S23-F35 PolarHBondContact N-O 3.22Å; S23-F35 PolarHBondContact O-N 2.73Å; S23-Y66 WeakPolarHBondContact OG-CE1 3.48Å |
| 24 | V | 98.9 | Very high | 96.5 | Very high | 22 Ų | 22 | 52.9 Ų | 52.9 | 13% | 0.133 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 140.2 | 168.2 | -64.2 | 0 | 0 | 0 | 0 | 109.8 | Y6 F7 I22 Y26 Q31 V33 R34 | Y6-V24 CarbonylContact C-O 3.58Å; Y6-V24 WeakPolarHBondContact CA-O 3.31Å; F7-V24 HydrophobicContact CB-CG2 3.84Å; F7-V24 HydrophobicContact CD2-CG2 4.23Å; F7-V24 HydrophobicContact CG-CG2 4.47Å; F7-V24 PolarHBondContact N-O 2.77Å; F7-V24 PolarHBondContact O-N 2.92Å; I22-V24 HydrophobicContact CG2-CG1 4.27Å; V24-Y26 HydrophobicContact CB-CE2 4.2Å; V24-Y26 HydrophobicContact CG2-CD2 4.42Å; V24-Y26 HydrophobicContact CG2-CE2 3.85Å; V24-Q31 VanDerWaalsContact CG1-NE2 3.33Å; V24-V33 WeakPolarHBondContact CA-O 3.33Å; V24-R34 HydrophobicContact CG1-CB 4.42Å; V24-R34 HydrophobicContact CG1-CG 4.13Å |
| 25 | G | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 139.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | R5 Q31 F32 V33 | R5-G25 CarbonylContact O-C 3.55Å; R5-G25 WeakPolarHBondContact O-CA 3.3Å; G25-Q31 WeakPolarHBondContact O-CA 3.47Å; G25-F32 WeakPolarHBondContact O-CD1 3.42Å; G25-F32 PolarHBondContact O-N 3.01Å; G25-V33 PolarHBondContact N-O 3.24Å; G25-V33 VanDerWaalsContact N-O 3.11Å |
| 26 | Y | 98.8 | Very high | 97.3 | Very high | 71 Ų | 71 | 47 Ų | 47 | 28% | 0.278 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 139.5 | 177.8 | -76.1 | -100 | 0 | 0 | 0 | 110.8 | M4 R5 F7 V24 T30 Q31 | M4-Y26 CarbonylContact C-O 3.56Å; M4-Y26 VanDerWaalsContact CA-O 3.29Å; M4-Y26 WeakPolarHBondContact CA-O 3.23Å; R5-Y26 PolarHBondContact N-O 2.65Å; R5-Y26 PolarHBondContact O-N 3.38Å; F7-Y26 AromaticContact CD2-CD2 4Å; F7-Y26 HydrophobicContact CD2-CD2 4Å; F7-Y26 HydrophobicContact CD2-CE2 4.4Å; F7-Y26 AromaticContact CE2-CD2 3.92Å; F7-Y26 HydrophobicContact CE2-CD2 3.92Å; V24-Y26 HydrophobicContact CB-CE2 4.2Å; V24-Y26 HydrophobicContact CG2-CD2 4.42Å; V24-Y26 HydrophobicContact CG2-CE2 3.85Å; Y26-T30 WeakPolarHBondContact CA-O 3.28Å; Y26-Q31 HydrophobicContact CD1-CB 4.07Å; Y26-Q31 HydrophobicContact CD2-CG 4.47Å; Y26-Q31 HydrophobicContact CE1-CB 3.57Å; Y26-Q31 HydrophobicContact CE1-CG 4.31Å; Y26-Q31 HydrophobicContact CE2-CB 4.17Å; Y26-Q31 HydrophobicContact CE2-CG 3.99Å |
| 27 | V | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 118.9 | 157.8 | 174.9 | 0 | 0 | 0 | 0 | 106.3 | S3 M4 D29 T30 F32 W50 L167 Y170 L171 L178 | S3-V27 CarbonylContact O-C 3.58Å; S3-V27 WeakPolarHBondContact O-CA 3.45Å; M4-V27 HydrophobicContact CG-CG2 4.31Å; V27-D29 PolarHBondContact O-N 3.12Å; V27-T30 PolarHBondContact N-O 3.44Å; V27-T30 WeakPolarHBondContact O-CB 3.38Å; V27-T30 PolarHBondContact O-N 3.26Å; V27-F32 HydrophobicContact CG2-CD1 3.91Å; V27-F32 HydrophobicContact CG2-CE1 3.91Å; V27-W50 HydrophobicContact CB-CH2 4.27Å; V27-W50 HydrophobicContact CB-CZ2 4.36Å; V27-W50 HydrophobicContact CG2-CH2 3.82Å; V27-W50 HydrophobicContact CG2-CZ2 4.4Å; V27-L167 HydrophobicContact CG1-CD1 3.65Å; V27-L167 HydrophobicContact CG2-CD1 4.28Å; V27-Y170 HydrophobicContact CG2-CD2 4Å; V27-Y170 HydrophobicContact CG2-CG 4.48Å; V27-L171 HydrophobicContact CG1-CD2 4.11Å; V27-L178 HydrophobicContact CB-CD1 4.39Å; V27-L178 HydrophobicContact CG1-CD1 3.84Å; V27-L178 HydrophobicContact CG1-CD2 4.32Å |
| 28 | D | 96.9 | Very high | 98 | Very high | 40 Ų | 40 | 39.4 Ų | 39.4 | 21% | 0.214 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.4 | -126.5 | -164.7 | -55.9 | -40 | 0 | 0 | 0 | 110.2 | H2 S3 T30 | H2-D28 WeakPolarHBondContact CA-OD1 3.48Å; H2-D28 IonicContact CE1-OD2 2.8Å; H2-D28 IonicContact CG-OD2 3.73Å; H2-D28 IonicContact ND1-OD1 2.63Å; H2-D28 IonicContact ND1-OD2 3.07Å; H2-D28 PolarHBondContact ND1-OD2 3.47Å; S3-D28 PolarHBondContact N-OD1 3.36Å; S3-D28 PolarHBondContact O-N 2.95Å; D28-T30 VanDerWaalsContact C-N 3.32Å |
| 29 | D | 96.1 | Very high | 98.1 | Very high | 159 Ų | 159 | 36.4 Ų | 36.4 | 85% | 0.85 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | 8.2 | 178.9 | -60.3 | -52.4 | 0 | 0 | 0 | 113.4 | V27 | V27-D29 PolarHBondContact O-N 3.12Š|
| 30 | T | 97.7 | Very high | 98.1 | Very high | 57 Ų | 57 | 40.6 Ų | 40.6 | 35% | 0.35 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 113.4 | -176.5 | -57.5 | 0 | 0 | 0 | 0 | 111.4 | Y26 V27 D28 F32 A48 L178 | Y26-T30 WeakPolarHBondContact CA-O 3.28Å; V27-T30 PolarHBondContact N-O 3.44Å; V27-T30 WeakPolarHBondContact O-CB 3.38Å; V27-T30 PolarHBondContact O-N 3.26Å; D28-T30 VanDerWaalsContact C-N 3.32Å; T30-F32 PolarHBondContact O-N 2.93Å; T30-A48 HydrophobicContact CG2-CB 4.35Å; T30-L178 HydrophobicContact CG2-CD2 4.22Å |
| 31 | Q | 98.3 | Very high | 98.1 | Very high | 54 Ų | 54 | 41.3 Ų | 41.3 | 25% | 0.252 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 126.9 | 171.5 | -167.3 | -176.6 | -8.1 | 0 | 0 | 110.1 | V24 G25 Y26 V33 R47 | V24-Q31 VanDerWaalsContact CG1-NE2 3.33Å; G25-Q31 WeakPolarHBondContact O-CA 3.47Å; Y26-Q31 HydrophobicContact CD1-CB 4.07Å; Y26-Q31 HydrophobicContact CD2-CG 4.47Å; Y26-Q31 HydrophobicContact CE1-CB 3.57Å; Y26-Q31 HydrophobicContact CE1-CG 4.31Å; Y26-Q31 HydrophobicContact CE2-CB 4.17Å; Y26-Q31 HydrophobicContact CE2-CG 3.99Å; Q31-V33 PolarHBondContact NE2-O 2.83Å; Q31-R47 HydrophobicContact CG-CB 4.24Å; Q31-R47 HydrophobicContact CG-CG 4.46Å; Q31-R47 CarbonylContact O-C 3.49Å |
| 32 | F | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | -22.2 | -177.9 | 75.7 | -83 | 0 | 0 | 0 | 114.3 | M4 Y6 G25 V27 T30 R47 A48 W50 I51 Y170 | M4-F32 HydrophobicContact CG-CE1 4.44Å; M4-F32 HydrophobicContact SD-CZ 4.35Å; Y6-F32 HydrophobicContact CE1-CZ 4.1Å; Y6-F32 AromaticContact CZ-CZ 3.82Å; Y6-F32 WeakPolarHBondContact OH-CZ 3.36Å; G25-F32 WeakPolarHBondContact O-CD1 3.42Å; G25-F32 PolarHBondContact O-N 3.01Å; V27-F32 HydrophobicContact CG2-CD1 3.91Å; V27-F32 HydrophobicContact CG2-CE1 3.91Å; T30-F32 PolarHBondContact O-N 2.93Å; F32-R47 PolarHBondContact O-N 3.44Å; F32-A48 HydrophobicContact CB-CB 4.12Å; F32-W50 HydrophobicContact CB-CH2 3.17Å; F32-W50 HydrophobicContact CB-CZ2 3.33Å; F32-W50 HydrophobicContact CB-CZ3 4.04Å; F32-W50 HydrophobicContact CD1-CH2 4.04Å; F32-W50 AromaticContact CD2-CH2 3.71Å; F32-W50 HydrophobicContact CD2-CH2 3.71Å; F32-W50 HydrophobicContact CD2-CZ3 4.02Å; F32-W50 AromaticContact CG-CH2 3.39Å; F32-W50 HydrophobicContact CG-CH2 3.39Å; F32-W50 HydrophobicContact CG-CZ2 4.03Å; F32-W50 HydrophobicContact CG-CZ3 4.16Å; F32-I51 HydrophobicContact CD2-CB 4.41Å; F32-I51 HydrophobicContact CD2-CD1 3.84Å; F32-I51 HydrophobicContact CD2-CG1 3.96Å; F32-I51 HydrophobicContact CE2-CD1 4.13Å; F32-I51 WeakPolarHBondContact O-CG2 3.29Å; F32-Y170 HydrophobicContact CE2-CD2 4.18Å; F32-Y170 AromaticContact CE2-CE2 3.74Å; F32-Y170 HydrophobicContact CE2-CE2 3.74Å; F32-Y170 HydrophobicContact CZ-CD2 4.23Å; F32-Y170 AromaticContact CZ-CE2 3.87Å; F32-Y170 HydrophobicContact CZ-CE2 3.87Å |
| 33 | V | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 156.5 | 175.9 | -72.9 | 0 | 0 | 0 | 0 | 112.6 | Y6 V24 G25 Q31 E44 E45 I51 W59 | Y6-V33 HydrophobicContact CE1-CG2 3.95Å; V24-V33 WeakPolarHBondContact CA-O 3.33Å; G25-V33 PolarHBondContact N-O 3.24Å; G25-V33 VanDerWaalsContact N-O 3.11Å; Q31-V33 PolarHBondContact NE2-O 2.83Å; V33-E44 HydrophobicContact CB-CG 4Å; V33-E44 WeakPolarHBondContact CB-OE1 3.4Å; V33-E44 HydrophobicContact CG1-CG 4.11Å; V33-E44 WeakPolarHBondContact CG2-OE1 3.19Å; V33-E45 WeakPolarHBondContact CA-O 3.37Å; V33-I51 HydrophobicContact CG1-CG1 4.33Å; V33-W59 HydrophobicContact CG1-CH2 4.09Å; V33-W59 HydrophobicContact CG1-CZ3 3.93Å |
| 34 | R | 98.7 | Very high | 98 | Very high | 63 Ų | 63 | 48.8 Ų | 48.8 | 24% | 0.238 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 141.1 | 171.6 | -178.8 | 177.2 | 174.2 | 85.5 | 5.2 | 110.9 | S23 V24 D36 E44 E45 R47 | S23-R34 CarbonylContact O-C 3.57Å; S23-R34 WeakPolarHBondContact O-CA 3.32Å; V24-R34 HydrophobicContact CG1-CB 4.42Å; V24-R34 HydrophobicContact CG1-CG 4.13Å; R34-D36 IonicContact CZ-OD2 2.68Å; R34-D36 IonicContact NE-OD2 3.7Å; R34-D36 IonicContact NH2-OD2 3.73Å; R34-D36 PolarHBondContact NH2-OD2 2.77Å; R34-E44 WeakPolarHBondContact O-CA 3.46Å; R34-E45 PolarHBondContact N-O 3.21Å; R34-E45 PolarHBondContact O-N 2.93Å; R34-R47 HydrophobicContact CB-CG 3.96Å |
| 35 | F | 98.8 | Very high | 97.9 | Very high | 3 Ų | 3 | 50.6 Ų | 50.6 | 1% | 0.013 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 143.3 | 163.4 | 177.5 | -83 | 0 | 0 | 0 | 109.6 | F21 I22 S23 P42 R43 T63 Y66 K67 | F21-F35 AromaticContact CD1-CD1 3.7Å; F21-F35 HydrophobicContact CD1-CD1 3.7Å; F21-F35 AromaticContact CD1-CE1 3.82Å; F21-F35 HydrophobicContact CD1-CE1 3.82Å; F21-F35 AromaticContact CE1-CD1 3.91Å; F21-F35 HydrophobicContact CE1-CD1 3.91Å; F21-F35 HydrophobicContact CE1-CE1 4.32Å; I22-F35 WeakPolarHBondContact CA-O 3.41Å; S23-F35 PolarHBondContact N-O 3.22Å; S23-F35 PolarHBondContact O-N 2.73Å; F35-P42 HydrophobicContact CE2-CB 4.03Å; F35-P42 HydrophobicContact CZ-CB 3.78Å; F35-R43 VanDerWaalsContact CD2-C 3.44Å; F35-R43 WeakPolarHBondContact CD2-O 3.47Å; F35-T63 HydrophobicContact CE2-CG2 4.49Å; F35-Y66 HydrophobicContact CB-CD2 3.78Å; F35-Y66 HydrophobicContact CB-CE2 4.34Å; F35-Y66 HydrophobicContact CB-CG 3.98Å; F35-Y66 HydrophobicContact CD1-CG 4.44Å; F35-Y66 AromaticContact CD2-CD2 3.97Å; F35-Y66 HydrophobicContact CD2-CD2 3.97Å; F35-Y66 HydrophobicContact CD2-CG 4.21Å; F35-Y66 AromaticContact CG-CD2 3.99Å; F35-Y66 HydrophobicContact CG-CD2 3.99Å; F35-Y66 AromaticContact CG-CG 3.96Å; F35-Y66 HydrophobicContact CG-CG 3.96Å; F35-K67 HydrophobicContact CE2-CG 4.29Å; F35-K67 HydrophobicContact CZ-CG 4.06Å |
| 36 | D | 98.7 | Very high | 97.9 | Very high | 21 Ų | 21 | 52.9 Ų | 52.9 | 11% | 0.112 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 118.5 | 177 | -161.4 | -29.4 | 0 | 0 | 0 | 110.4 | R20 R34 D38 A39 | R20-D36 IonicContact CZ-OD1 2.79Å; R20-D36 IonicContact CZ-OD2 2.68Å; R20-D36 IonicContact NE-OD1 3.58Å; R20-D36 PolarHBondContact NE-OD1 3.17Å; R20-D36 IonicContact NE-OD2 3.67Å; R20-D36 IonicContact NH2-OD1 3.82Å; R20-D36 PolarHBondContact NH2-OD1 2.93Å; R20-D36 IonicContact NH2-OD2 3.69Å; R20-D36 PolarHBondContact NH2-OD2 2.68Å; R34-D36 IonicContact CZ-OD2 2.68Å; R34-D36 IonicContact NE-OD2 3.7Å; R34-D36 IonicContact NH2-OD2 3.73Å; R34-D36 PolarHBondContact NH2-OD2 2.77Å; D36-D38 PolarHBondContact O-N 2.91Å; D36-D38 PolarHBondContact OD1-N 2.93Å; D36-A39 HydrophobicContact CB-CB 4.45Å; D36-A39 WeakPolarHBondContact O-CB 3.35Å; D36-A39 PolarHBondContact O-N 3.29Å |
| 37 | S | 98.2 | Very high | 97.9 | Very high | 34 Ų | 34 | 55.3 Ų | 55.3 | 24% | 0.238 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -21.3 | -178.8 | 67.8 | 0 | 0 | 0 | 0 | 113.5 | R20 F21 A39 P42 | R20-S37 WeakPolarHBondContact CA-OG 3.46Å; F21-S37 PolarHBondContact N-OG 3.31Å; F21-S37 PolarHBondContact O-N 3.13Å; F21-S37 PolarHBondContact O-OG 2.99Å; S37-A39 VanDerWaalsContact C-N 3.33Å; S37-P42 WeakPolarHBondContact O-CG 3.23Å |
| 38 | D | 97.3 | Very high | 97.8 | Very high | 82 Ų | 82 | 55.6 Ų | 55.6 | 44% | 0.439 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -4.3 | 179.7 | -78 | 12.5 | 0 | 0 | 0 | 112.7 | R13 R20 D36 | R13-D38 IonicContact CZ-OD2 3.34Å; R13-D38 IonicContact NH1-OD1 3.09Å; R13-D38 IonicContact NH1-OD2 3.13Å; R13-D38 PolarHBondContact NH1-OD2 3.06Å; R13-D38 IonicContact NH2-OD2 3.5Å; R20-D38 VanDerWaalsContact CD-OD2 3.24Å; R20-D38 WeakPolarHBondContact CD-OD2 3.39Å; R20-D38 HydrophobicContact CG-CB 4.35Å; R20-D38 IonicContact NE-OD2 3.4Å; D36-D38 PolarHBondContact O-N 2.91Å; D36-D38 PolarHBondContact OD1-N 2.93Å |
| 39 | A | 97.2 | Very high | 97.8 | Very high | 39 Ų | 39 | 58.6 Ų | 58.6 | 32% | 0.322 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -63 | 149.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | D36 S37 S41 P42 | D36-A39 HydrophobicContact CB-CB 4.45Å; D36-A39 WeakPolarHBondContact O-CB 3.35Å; D36-A39 PolarHBondContact O-N 3.29Å; S37-A39 VanDerWaalsContact C-N 3.33Å; A39-S41 PolarHBondContact O-N 3.42Å; A39-S41 VanDerWaalsContact O-N 3.15Å; A39-P42 WeakPolarHBondContact O-CD 3.48Å; A39-P42 VanDerWaalsContact O-CG 3.27Å; A39-P42 WeakPolarHBondContact O-CG 3.32Å |
| 40 | A | 96.8 | Very high | 97.8 | Very high | 116 Ų | 116 | 51.8 Ų | 51.8 | 96% | 0.959 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -59.1 | -29.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 41 | S | 96.7 | Very high | 97.8 | Very high | 78 Ų | 78 | 49 Ų | 49 | 55% | 0.545 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -133.4 | 89.6 | 170.7 | -169.8 | 0 | 0 | 0 | 0 | 108.7 | A39 R43 | A39-S41 PolarHBondContact O-N 3.42Å; A39-S41 VanDerWaalsContact O-N 3.15Å; S41-R43 PolarHBondContact O-N 3.4Å; S41-R43 VanDerWaalsContact O-N 3.13Å |
| 42 | P | 97.5 | Very high | 97.6 | Very high | 37 Ų | 37 | 52.6 Ų | 52.6 | 24% | 0.24 | 29% | 0.291 | C | S | . | . | trans | -64.4 | 113.8 | -175.8 | -24.5 | 35.6 | 0 | 0 | 0 | 112.1 | F35 S37 A39 K67 | F35-P42 HydrophobicContact CE2-CB 4.03Å; F35-P42 HydrophobicContact CZ-CB 3.78Å; S37-P42 WeakPolarHBondContact O-CG 3.23Å; A39-P42 WeakPolarHBondContact O-CD 3.48Å; A39-P42 VanDerWaalsContact O-CG 3.27Å; A39-P42 WeakPolarHBondContact O-CG 3.32Å; P42-K67 WeakPolarHBondContact O-CE 3.36Å; P42-K67 PolarHBondContact O-NZ 3.11Å | ||
| 43 | R | 98.3 | Very high | 97.5 | Very high | 143 Ų | 143 | 58.4 Ų | 58.4 | 54% | 0.54 | 32% | 0.318 | S | S | . | . | trans | -147.7 | 159.2 | 177 | 62.2 | -176.8 | 166.3 | -176.3 | -4 | 110.7 | F35 S41 E45 T63 | F35-R43 VanDerWaalsContact CD2-C 3.44Å; F35-R43 WeakPolarHBondContact CD2-O 3.47Å; S41-R43 PolarHBondContact O-N 3.4Å; S41-R43 VanDerWaalsContact O-N 3.13Å; R43-E45 HydrophobicContact CG-CG 3.99Å; R43-E45 IonicContact NE-OE1 3.95Å; R43-T63 HydrophobicContact CB-CG2 4.14Å | ||
| 44 | E | 98.3 | Very high | 97.4 | Very high | 6 Ų | 6 | 59 Ų | 59 | 3% | 0.028 | 32% | 0.321 | C | S | . | . | trans | -71.3 | 134.2 | 167.2 | -168.1 | -179.5 | -137.2 | 0 | 0 | 108.9 | V33 R34 W59 N62 T63 Y66 | V33-E44 HydrophobicContact CB-CG 4Å; V33-E44 WeakPolarHBondContact CB-OE1 3.4Å; V33-E44 HydrophobicContact CG1-CG 4.11Å; V33-E44 WeakPolarHBondContact CG2-OE1 3.19Å; R34-E44 WeakPolarHBondContact O-CA 3.46Å; E44-W59 HydrophobicContact CB-CE3 4.18Å; E44-W59 HydrophobicContact CB-CZ3 4.42Å; E44-W59 HydrophobicContact CG-CE3 4.18Å; E44-W59 HydrophobicContact CG-CZ3 3.94Å; E44-N62 WeakPolarHBondContact OE2-CB 3.13Å; E44-N62 VanDerWaalsContact OE2-CG 3.3Å; E44-N62 PolarHBondContact OE2-ND2 3.01Å; E44-T63 PolarHBondContact N-OG1 2.77Å; E44-Y66 HydrophobicContact CB-CD2 4.17Å; E44-Y66 HydrophobicContact CB-CE2 3.96Å; E44-Y66 VanDerWaalsContact CD-CE2 3.41Å; E44-Y66 HydrophobicContact CG-CD2 4.41Å; E44-Y66 HydrophobicContact CG-CE2 3.75Å; E44-Y66 WeakPolarHBondContact OE1-CE2 3.42Å; E44-Y66 PolarHBondContact OE1-OH 3.13Å | ||
| 45 | E | 98.3 | Very high | 97.3 | Very high | 59 Ų | 59 | 57.4 Ų | 57.4 | 28% | 0.276 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 139.9 | -175.8 | -62.6 | -178.4 | 151.2 | 0 | 0 | 110.8 | V33 R34 R43 R47 | V33-E45 WeakPolarHBondContact CA-O 3.37Å; R34-E45 PolarHBondContact N-O 3.21Å; R34-E45 PolarHBondContact O-N 2.93Å; R43-E45 HydrophobicContact CG-CG 3.99Å; R43-E45 IonicContact NE-OE1 3.95Å; E45-R47 IonicContact OE2-CZ 3.67Å; E45-R47 IonicContact OE2-NH2 2.73Å; E45-R47 PolarHBondContact OE2-NH2 3.19Å |
| 46 | P | 98.3 | Very high | 97.2 | Very high | 49 Ų | 49 | 61.2 Ų | 61.2 | 32% | 0.318 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 145.7 | 174.2 | 29.8 | -35.8 | 0 | 0 | 0 | 111 | I51 E52 W59 | P46-I51 HydrophobicContact CB-CG2 3.47Å; P46-I51 VanDerWaalsContact CB-CG2 3.47Å; P46-E52 HydrophobicContact CB-CG 3.84Å; P46-E52 HydrophobicContact CG-CG 4.1Å; P46-W59 HydrophobicContact CB-CH2 3.71Å; P46-W59 HydrophobicContact CB-CZ2 4.06Å; P46-W59 HydrophobicContact CG-CH2 4.33Å; P46-W59 HydrophobicContact CG-CZ2 4.49Å |
| 47 | R | 98.3 | Very high | 97.2 | Very high | 121 Ų | 121 | 67 Ų | 67 | 46% | 0.457 | 38% | 0.375 | S | S | . | . | trans | -129.6 | -1.4 | 175.6 | -59.2 | -64.9 | 170.1 | 177.7 | -2.2 | 113.4 | Q31 F32 R34 E45 | Q31-R47 HydrophobicContact CG-CB 4.24Å; Q31-R47 HydrophobicContact CG-CG 4.46Å; Q31-R47 CarbonylContact O-C 3.49Å; F32-R47 PolarHBondContact O-N 3.44Å; R34-R47 HydrophobicContact CB-CG 3.96Å; E45-R47 IonicContact OE2-CZ 3.67Å; E45-R47 IonicContact OE2-NH2 2.73Å; E45-R47 PolarHBondContact OE2-NH2 3.19Å | ||
| 48 | A | 96.8 | Very high | 97.2 | Very high | 6 Ų | 6 | 66.2 Ų | 66.2 | 5% | 0.05 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -138.2 | 145.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | T30 F32 W50 I51 | T30-A48 HydrophobicContact CG2-CB 4.35Å; F32-A48 HydrophobicContact CB-CB 4.12Å; A48-W50 VanDerWaalsContact C-N 3.29Å; A48-W50 HydrophobicContact CB-CD2 4.28Å; A48-W50 HydrophobicContact CB-CG 4.45Å; A48-W50 HydrophobicContact CB-CZ2 4.08Å; A48-W50 PolarHBondContact O-N 3.07Å; A48-I51 VanDerWaalsContact O-CG2 3.32Å; A48-I51 WeakPolarHBondContact O-CG2 3.3Å; A48-I51 PolarHBondContact O-N 3.31Å |
| 49 | P | 96.3 | Very high | 97.2 | Very high | 103 Ų | 103 | 64.2 Ų | 64.2 | 67% | 0.669 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -59.7 | -35.9 | -174.7 | -26.5 | 35 | 0 | 0 | 0 | 114.3 | I51 E52 | P49-I51 PolarHBondContact O-N 2.92Å; P49-E52 WeakPolarHBondContact O-CB 3.42Å; P49-E52 PolarHBondContact O-N 2.94Å; P49-E52 VanDerWaalsContact O-N 3.11Å |
| 50 | W | 95.8 | Very high | 97.3 | Very high | 16 Ų | 16 | 67.4 Ų | 67.4 | 6% | 0.061 | 37% | 0.365 | C | S | . | . | G | 310 helix | trans | -71.3 | -11.9 | -174.8 | 53.8 | -105.8 | 0 | 0 | 0 | 114.6 | V27 F32 A48 Q53 Y170 N173 L178 | V27-W50 HydrophobicContact CB-CH2 4.27Å; V27-W50 HydrophobicContact CB-CZ2 4.36Å; V27-W50 HydrophobicContact CG2-CH2 3.82Å; V27-W50 HydrophobicContact CG2-CZ2 4.4Å; F32-W50 HydrophobicContact CB-CH2 3.17Å; F32-W50 HydrophobicContact CB-CZ2 3.33Å; F32-W50 HydrophobicContact CB-CZ3 4.04Å; F32-W50 HydrophobicContact CD1-CH2 4.04Å; F32-W50 AromaticContact CD2-CH2 3.71Å; F32-W50 HydrophobicContact CD2-CH2 3.71Å; F32-W50 HydrophobicContact CD2-CZ3 4.02Å; F32-W50 AromaticContact CG-CH2 3.39Å; F32-W50 HydrophobicContact CG-CH2 3.39Å; F32-W50 HydrophobicContact CG-CZ2 4.03Å; F32-W50 HydrophobicContact CG-CZ3 4.16Å; A48-W50 VanDerWaalsContact C-N 3.29Å; A48-W50 HydrophobicContact CB-CD2 4.28Å; A48-W50 HydrophobicContact CB-CG 4.45Å; A48-W50 HydrophobicContact CB-CZ2 4.08Å; A48-W50 PolarHBondContact O-N 3.07Å; W50-Q53 WeakPolarHBondContact O-CG 3.13Å; W50-Y170 HydrophobicContact CH2-CG 4.25Å; W50-Y170 AromaticContact CZ3-CD1 3.88Å; W50-Y170 HydrophobicContact CZ3-CD1 3.88Å; W50-Y170 HydrophobicContact CZ3-CD2 4.38Å; W50-Y170 AromaticContact CZ3-CG 3.69Å; W50-Y170 HydrophobicContact CZ3-CG 3.69Å; W50-N173 HydrophobicContact CB-CB 4.39Å; W50-L178 HydrophobicContact CZ2-CD1 3.93Å; W50-L178 HydrophobicContact CZ2-CD2 4.34Å |
| 51 | I | 97.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | -89 | -17.9 | 172.9 | -158.7 | 70.3 | 0 | 0 | 0 | 111.5 | F32 V33 P46 A48 P49 Q53 E54 Y58 W59 Y170 | F32-I51 HydrophobicContact CD2-CB 4.41Å; F32-I51 HydrophobicContact CD2-CD1 3.84Å; F32-I51 HydrophobicContact CD2-CG1 3.96Å; F32-I51 HydrophobicContact CE2-CD1 4.13Å; F32-I51 WeakPolarHBondContact O-CG2 3.29Å; V33-I51 HydrophobicContact CG1-CG1 4.33Å; P46-I51 HydrophobicContact CB-CG2 3.47Å; P46-I51 VanDerWaalsContact CB-CG2 3.47Å; A48-I51 VanDerWaalsContact O-CG2 3.32Å; A48-I51 WeakPolarHBondContact O-CG2 3.3Å; A48-I51 PolarHBondContact O-N 3.31Å; P49-I51 PolarHBondContact O-N 2.92Å; I51-Q53 PolarHBondContact O-N 2.79Å; I51-Q53 VanDerWaalsContact O-N 3.13Å; I51-E54 HydrophobicContact CD1-CG 3.67Å; I51-E54 HydrophobicContact CG1-CG 4Å; I51-E54 VanDerWaalsContact O-CB 3.3Å; I51-E54 WeakPolarHBondContact O-CB 3.49Å; I51-E54 VanDerWaalsContact O-CG 3.31Å; I51-E54 WeakPolarHBondContact O-CG 3.49Å; I51-E54 PolarHBondContact O-N 2.92Å; I51-Y58 HydrophobicContact CD1-CE1 4.42Å; I51-Y58 HydrophobicContact CG1-CE1 4.33Å; I51-W59 HydrophobicContact CB-CH2 4.46Å; I51-W59 HydrophobicContact CG1-CH2 3.86Å; I51-W59 HydrophobicContact CG1-CZ2 4.13Å; I51-W59 HydrophobicContact CG2-CH2 3.73Å; I51-W59 HydrophobicContact CG2-CZ2 4.07Å; I51-W59 WeakPolarHBondContact O-CZ2 3.27Å; I51-Y170 HydrophobicContact CD1-CD1 3.73Å; I51-Y170 HydrophobicContact CD1-CE1 3.35Å |
| 52 | E | 95.9 | Very high | 97.4 | Very high | 129 Ų | 129 | 66.2 Ų | 66.2 | 60% | 0.603 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -19.5 | -176.6 | -63.9 | -178.3 | -171.6 | 0 | 0 | 113 | P46 P49 E54 | P46-E52 HydrophobicContact CB-CG 3.84Å; P46-E52 HydrophobicContact CG-CG 4.1Å; P49-E52 WeakPolarHBondContact O-CB 3.42Å; P49-E52 PolarHBondContact O-N 2.94Å; P49-E52 VanDerWaalsContact O-N 3.11Å; E52-E54 PolarHBondContact O-N 2.9Å |
| 53 | Q | 94.8 | Very high | 97.4 | Very high | 121 Ų | 121 | 65 Ų | 65 | 57% | 0.565 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -10.7 | 173.6 | 68.1 | -177.3 | 51.6 | 0 | 0 | 114.1 | W50 I51 N173 | W50-Q53 WeakPolarHBondContact O-CG 3.13Å; I51-Q53 PolarHBondContact O-N 2.79Å; I51-Q53 VanDerWaalsContact O-N 3.13Å; Q53-N173 PolarHBondContact NE2-ND2 3.08Å; Q53-N173 VanDerWaalsContact NE2-ND2 3.13Å; Q53-N173 PolarHBondContact NE2-OD1 3.24Å |
| 54 | E | 96.8 | Very high | 97.5 | Very high | 14 Ų | 14 | 63.7 Ų | 63.7 | 7% | 0.065 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -64.1 | 136.8 | 173 | -67.9 | -62.4 | 156.6 | 0 | 0 | 110.9 | I51 E52 Y58 W59 R169 | I51-E54 HydrophobicContact CD1-CG 3.67Å; I51-E54 HydrophobicContact CG1-CG 4Å; I51-E54 VanDerWaalsContact O-CB 3.3Å; I51-E54 WeakPolarHBondContact O-CB 3.49Å; I51-E54 VanDerWaalsContact O-CG 3.31Å; I51-E54 WeakPolarHBondContact O-CG 3.49Å; I51-E54 PolarHBondContact O-N 2.92Å; E52-E54 PolarHBondContact O-N 2.9Å; E54-Y58 HydrophobicContact CB-CD1 3.58Å; E54-Y58 HydrophobicContact CB-CE1 4.19Å; E54-Y58 HydrophobicContact CB-CG 3.81Å; E54-Y58 HydrophobicContact CG-CD1 3.89Å; E54-Y58 HydrophobicContact CG-CD2 4.36Å; E54-Y58 HydrophobicContact CG-CE1 4.06Å; E54-Y58 HydrophobicContact CG-CG 4.05Å; E54-W59 HydrophobicContact CB-CZ2 4.27Å; E54-W59 PolarHBondContact O-NE1 3.45Å; E54-W59 VanDerWaalsContact O-NE1 3.07Å; E54-R169 IonicContact OE1-CZ 2.91Å; E54-R169 VanDerWaalsContact OE1-CZ 3.3Å; E54-R169 IonicContact OE1-NE 3.92Å; E54-R169 PolarHBondContact OE1-NE 2.9Å; E54-R169 IonicContact OE1-NH2 3.52Å; E54-R169 PolarHBondContact OE1-NH2 3.11Å; E54-R169 VanDerWaalsContact OE1-NH2 3.08Å; E54-R169 IonicContact OE2-CZ 3.54Å; E54-R169 IonicContact OE2-NE 3.59Å; E54-R169 IonicContact OE2-NH2 2.79Å; E54-R169 PolarHBondContact OE2-NH2 3.2Å |
| 55 | G | 96.9 | Very high | 97.4 | Very high | 29 Ų | 29 | 67.1 Ų | 67.1 | 30% | 0.299 | 34% | 0.335 | S | S | . | . | trans | -70.2 | 165.4 | -178 | 0 | 0 | 0 | 0 | 0 | 113.7 | E57 Y58 W59 | G55-E57 PolarHBondContact O-N 2.87Å; G55-E57 VanDerWaalsContact O-N 3.16Å; G55-Y58 WeakPolarHBondContact O-CB 3.45Å; G55-Y58 PolarHBondContact O-N 2.96Å; G55-W59 VanDerWaalsContact O-CD1 3.22Å | ||
| 56 | P | 97.4 | Very high | 97.5 | Very high | 83 Ų | 83 | 64.6 Ų | 64.6 | 54% | 0.539 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -56.7 | -32.6 | -179.5 | 23.3 | -32.6 | 0 | 0 | 0 | 113.2 | Y58 W59 D60 | P56-Y58 VanDerWaalsContact C-N 3.27Å; P56-Y58 PolarHBondContact O-N 2.87Å; P56-W59 PolarHBondContact O-N 3.42Å; P56-D60 WeakPolarHBondContact O-CB 3.46Å; P56-D60 PolarHBondContact O-N 2.79Å |
| 57 | E | 97.9 | Very high | 97.5 | Very high | 143 Ų | 143 | 66.4 Ų | 66.4 | 67% | 0.668 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -63.6 | -32.5 | 179 | -60.1 | 77.9 | -171.2 | 0 | 0 | 112.6 | G55 R61 | G55-E57 PolarHBondContact O-N 2.87Å; G55-E57 VanDerWaalsContact O-N 3.16Å; E57-R61 WeakPolarHBondContact O-CB 3.36Å; E57-R61 PolarHBondContact O-N 3.32Å |
| 58 | Y | 97.7 | Very high | 97.5 | Very high | 16 Ų | 16 | 63.5 Ų | 63.5 | 6% | 0.063 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.4 | -51.8 | 174.8 | 171.8 | -93.3 | 0 | 0 | 0 | 110.3 | I51 E54 G55 P56 R61 N62 Y170 | I51-Y58 HydrophobicContact CD1-CE1 4.42Å; I51-Y58 HydrophobicContact CG1-CE1 4.33Å; E54-Y58 HydrophobicContact CB-CD1 3.58Å; E54-Y58 HydrophobicContact CB-CE1 4.19Å; E54-Y58 HydrophobicContact CB-CG 3.81Å; E54-Y58 HydrophobicContact CG-CD1 3.89Å; E54-Y58 HydrophobicContact CG-CD2 4.36Å; E54-Y58 HydrophobicContact CG-CE1 4.06Å; E54-Y58 HydrophobicContact CG-CG 4.05Å; G55-Y58 WeakPolarHBondContact O-CB 3.45Å; G55-Y58 PolarHBondContact O-N 2.96Å; P56-Y58 VanDerWaalsContact C-N 3.27Å; P56-Y58 PolarHBondContact O-N 2.87Å; Y58-R61 PolarHBondContact O-N 3.46Å; Y58-N62 VanDerWaalsContact CE1-ND2 3.27Å; Y58-N62 WeakPolarHBondContact CE1-ND2 3.05Å; Y58-N62 WeakPolarHBondContact CE2-ND2 3.27Å; Y58-N62 WeakPolarHBondContact O-CB 3.39Å; Y58-N62 PolarHBondContact O-N 3Å; Y58-N62 PolarHBondContact O-ND2 3.49Å; Y58-N62 PolarHBondContact OH-ND2 3.19Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.42Å; Y58-Y170 PolarHBondContact OH-OH 3.03Å |
| 59 | W | 98.4 | Very high | 97.5 | Very high | 40 Ų | 40 | 64.8 Ų | 64.8 | 15% | 0.152 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.2 | -43.4 | -177.8 | -62.8 | 112.5 | 0 | 0 | 0 | 112.5 | V33 E44 P46 I51 E54 G55 P56 T63 | V33-W59 HydrophobicContact CG1-CH2 4.09Å; V33-W59 HydrophobicContact CG1-CZ3 3.93Å; E44-W59 HydrophobicContact CB-CE3 4.18Å; E44-W59 HydrophobicContact CB-CZ3 4.42Å; E44-W59 HydrophobicContact CG-CE3 4.18Å; E44-W59 HydrophobicContact CG-CZ3 3.94Å; P46-W59 HydrophobicContact CB-CH2 3.71Å; P46-W59 HydrophobicContact CB-CZ2 4.06Å; P46-W59 HydrophobicContact CG-CH2 4.33Å; P46-W59 HydrophobicContact CG-CZ2 4.49Å; I51-W59 HydrophobicContact CB-CH2 4.46Å; I51-W59 HydrophobicContact CG1-CH2 3.86Å; I51-W59 HydrophobicContact CG1-CZ2 4.13Å; I51-W59 HydrophobicContact CG2-CH2 3.73Å; I51-W59 HydrophobicContact CG2-CZ2 4.07Å; I51-W59 WeakPolarHBondContact O-CZ2 3.27Å; E54-W59 HydrophobicContact CB-CZ2 4.27Å; E54-W59 PolarHBondContact O-NE1 3.45Å; E54-W59 VanDerWaalsContact O-NE1 3.07Å; G55-W59 VanDerWaalsContact O-CD1 3.22Å; P56-W59 PolarHBondContact O-N 3.42Å; W59-T63 WeakPolarHBondContact O-CB 3.12Å; W59-T63 PolarHBondContact O-N 2.88Å; W59-T63 PolarHBondContact O-OG1 3.08Å |
| 60 | D | 98.4 | Very high | 97.6 | Very high | 106 Ų | 106 | 60.7 Ų | 60.7 | 57% | 0.567 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -64.8 | -48.2 | 177.6 | -77.8 | -19.8 | 0 | 0 | 0 | 110.9 | P56 N62 T63 Q64 | P56-D60 WeakPolarHBondContact O-CB 3.46Å; P56-D60 PolarHBondContact O-N 2.79Å; D60-N62 PolarHBondContact O-N 2.85Å; D60-T63 PolarHBondContact O-N 3.13Å; D60-Q64 WeakPolarHBondContact O-CG 3.45Å; D60-Q64 PolarHBondContact O-N 2.66Å |
| 61 | R | 98.1 | Very high | 97.7 | Very high | 153 Ų | 153 | 64.6 Ų | 64.6 | 58% | 0.577 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -58.7 | -51.6 | 179.5 | -178.9 | -176 | 67.9 | -170.3 | -1.1 | 111.5 | E57 Y58 T63 Q64 I65 | E57-R61 WeakPolarHBondContact O-CB 3.36Å; E57-R61 PolarHBondContact O-N 3.32Å; Y58-R61 PolarHBondContact O-N 3.46Å; R61-T63 VanDerWaalsContact C-N 3.34Å; R61-T63 PolarHBondContact O-N 2.72Å; R61-Q64 PolarHBondContact O-N 3.35Å; R61-I65 HydrophobicContact CG-CD1 4.13Å; R61-I65 WeakPolarHBondContact O-CG1 3.07Å; R61-I65 PolarHBondContact O-N 3.18Å |
| 62 | N | 98 | Very high | 97.7 | Very high | 17 Ų | 17 | 68 Ų | 68 | 9% | 0.091 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -68.4 | -36.1 | -177.7 | -67.9 | -22.9 | 0 | 0 | 0 | 112 | E44 Y58 D60 Q64 I65 Y66 | E44-N62 WeakPolarHBondContact OE2-CB 3.13Å; E44-N62 VanDerWaalsContact OE2-CG 3.3Å; E44-N62 PolarHBondContact OE2-ND2 3.01Å; Y58-N62 VanDerWaalsContact CE1-ND2 3.27Å; Y58-N62 WeakPolarHBondContact CE1-ND2 3.05Å; Y58-N62 WeakPolarHBondContact CE2-ND2 3.27Å; Y58-N62 WeakPolarHBondContact O-CB 3.39Å; Y58-N62 PolarHBondContact O-N 3Å; Y58-N62 PolarHBondContact O-ND2 3.49Å; Y58-N62 PolarHBondContact OH-ND2 3.19Å; D60-N62 PolarHBondContact O-N 2.85Å; N62-Q64 VanDerWaalsContact C-N 3.27Å; N62-Q64 PolarHBondContact O-N 2.82Å; N62-I65 WeakPolarHBondContact O-CB 3.13Å; N62-I65 PolarHBondContact O-N 2.82Å; N62-I65 VanDerWaalsContact O-N 3.11Å; N62-Y66 HydrophobicContact CB-CE2 4.02Å; N62-Y66 WeakPolarHBondContact O-CD2 3.38Å; N62-Y66 PolarHBondContact O-N 3.38Å |
| 63 | T | 98.6 | Very high | 97.8 | Very high | 11 Ų | 11 | 62.2 Ų | 62.2 | 7% | 0.067 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -56.2 | -42.9 | 171.8 | -67.3 | 0 | 0 | 0 | 0 | 111.5 | F35 R43 E44 W59 D60 R61 K67 | F35-T63 HydrophobicContact CE2-CG2 4.49Å; R43-T63 HydrophobicContact CB-CG2 4.14Å; E44-T63 PolarHBondContact N-OG1 2.77Å; W59-T63 WeakPolarHBondContact O-CB 3.12Å; W59-T63 PolarHBondContact O-N 2.88Å; W59-T63 PolarHBondContact O-OG1 3.08Å; D60-T63 PolarHBondContact O-N 3.13Å; R61-T63 VanDerWaalsContact C-N 3.34Å; R61-T63 PolarHBondContact O-N 2.72Å; T63-K67 HydrophobicContact CG2-CD 4.25Å; T63-K67 WeakPolarHBondContact O-CG 3.02Å; T63-K67 PolarHBondContact O-N 3.07Å; T63-K67 VanDerWaalsContact O-N 3.08Å |
| 64 | Q | 98.6 | Very high | 97.9 | Very high | 115 Ų | 115 | 59.2 Ų | 59.2 | 54% | 0.537 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -67.1 | -39.4 | 175.5 | -63.2 | -53 | -36.6 | 0 | 0 | 112.4 | D60 R61 N62 Y66 K67 A68 | D60-Q64 WeakPolarHBondContact O-CG 3.45Å; D60-Q64 PolarHBondContact O-N 2.66Å; R61-Q64 PolarHBondContact O-N 3.35Å; N62-Q64 VanDerWaalsContact C-N 3.27Å; N62-Q64 PolarHBondContact O-N 2.82Å; Q64-Y66 PolarHBondContact O-N 2.66Å; Q64-K67 PolarHBondContact O-N 3.06Å; Q64-A68 PolarHBondContact O-N 2.63Å |
| 65 | I | 97.9 | Very high | 98 | Very high | 79 Ų | 79 | 64.1 Ų | 64.1 | 41% | 0.405 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -57.6 | -48.2 | 175.5 | -70.3 | 168.3 | 0 | 0 | 0 | 110.7 | R61 N62 K67 A68 Q69 | R61-I65 HydrophobicContact CG-CD1 4.13Å; R61-I65 WeakPolarHBondContact O-CG1 3.07Å; R61-I65 PolarHBondContact O-N 3.18Å; N62-I65 WeakPolarHBondContact O-CB 3.13Å; N62-I65 PolarHBondContact O-N 2.82Å; N62-I65 VanDerWaalsContact O-N 3.11Å; I65-K67 PolarHBondContact O-N 3.16Å; I65-A68 PolarHBondContact O-N 3.22Å; I65-Q69 WeakPolarHBondContact O-CB 3.39Å; I65-Q69 PolarHBondContact O-N 2.74Å |
| 66 | Y | 98.4 | Very high | 98 | Very high | 6 Ų | 6 | 64.6 Ų | 64.6 | 2% | 0.024 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -69.8 | -32.6 | 179.7 | -61.9 | -55.7 | 0 | 0 | 0 | 113.4 | Y6 Y8 F21 S23 F35 E44 N62 Q64 A68 Q69 A70 | Y6-Y66 WeakPolarHBondContact CE1-OH 3.37Å; Y8-Y66 HydrophobicContact CE1-CD1 4.16Å; Y8-Y66 AromaticContact CE1-CE1 3.67Å; Y8-Y66 HydrophobicContact CE1-CE1 3.67Å; Y8-Y66 AromaticContact CZ-CE1 3.79Å; Y8-Y66 WeakPolarHBondContact OH-CE1 3.35Å; F21-Y66 HydrophobicContact CE1-CD1 4.09Å; F21-Y66 HydrophobicContact CE1-CG 4.38Å; F21-Y66 HydrophobicContact CZ-CD1 4.3Å; S23-Y66 WeakPolarHBondContact OG-CE1 3.48Å; F35-Y66 HydrophobicContact CB-CD2 3.78Å; F35-Y66 HydrophobicContact CB-CE2 4.34Å; F35-Y66 HydrophobicContact CB-CG 3.98Å; F35-Y66 HydrophobicContact CD1-CG 4.44Å; F35-Y66 AromaticContact CD2-CD2 3.97Å; F35-Y66 HydrophobicContact CD2-CD2 3.97Å; F35-Y66 HydrophobicContact CD2-CG 4.21Å; F35-Y66 AromaticContact CG-CD2 3.99Å; F35-Y66 HydrophobicContact CG-CD2 3.99Å; F35-Y66 AromaticContact CG-CG 3.96Å; F35-Y66 HydrophobicContact CG-CG 3.96Å; E44-Y66 HydrophobicContact CB-CD2 4.17Å; E44-Y66 HydrophobicContact CB-CE2 3.96Å; E44-Y66 VanDerWaalsContact CD-CE2 3.41Å; E44-Y66 HydrophobicContact CG-CD2 4.41Å; E44-Y66 HydrophobicContact CG-CE2 3.75Å; E44-Y66 WeakPolarHBondContact OE1-CE2 3.42Å; E44-Y66 PolarHBondContact OE1-OH 3.13Å; N62-Y66 HydrophobicContact CB-CE2 4.02Å; N62-Y66 WeakPolarHBondContact O-CD2 3.38Å; N62-Y66 PolarHBondContact O-N 3.38Å; Q64-Y66 PolarHBondContact O-N 2.66Å; Y66-A68 VanDerWaalsContact C-N 3.35Å; Y66-Q69 PolarHBondContact O-N 2.84Å; Y66-A70 WeakPolarHBondContact O-CB 3.12Å; Y66-A70 PolarHBondContact O-N 2.8Å |
| 67 | K | 98.3 | Very high | 98.1 | Very high | 87 Ų | 87 | 61 Ų | 61 | 38% | 0.378 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.5 | -41.8 | 172 | -76 | 176.7 | 179.5 | 176.1 | 0 | 111.6 | F35 P42 T63 Q64 I65 Q71 | F35-K67 HydrophobicContact CE2-CG 4.29Å; F35-K67 HydrophobicContact CZ-CG 4.06Å; P42-K67 WeakPolarHBondContact O-CE 3.36Å; P42-K67 PolarHBondContact O-NZ 3.11Å; T63-K67 HydrophobicContact CG2-CD 4.25Å; T63-K67 WeakPolarHBondContact O-CG 3.02Å; T63-K67 PolarHBondContact O-N 3.07Å; T63-K67 VanDerWaalsContact O-N 3.08Å; Q64-K67 PolarHBondContact O-N 3.06Å; I65-K67 PolarHBondContact O-N 3.16Å; K67-Q71 PolarHBondContact O-N 2.8Å |
| 68 | A | 98.4 | Very high | 98 | Very high | 60 Ų | 60 | 60.1 Ų | 60.1 | 50% | 0.496 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -65.3 | -46.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q64 I65 Y66 A70 Q71 T72 | Q64-A68 PolarHBondContact O-N 2.63Å; I65-A68 PolarHBondContact O-N 3.22Å; Y66-A68 VanDerWaalsContact C-N 3.35Å; A68-A70 VanDerWaalsContact C-N 3.31Å; A68-A70 PolarHBondContact O-N 3.16Å; A68-Q71 WeakPolarHBondContact O-CB 3.39Å; A68-Q71 PolarHBondContact O-N 3.18Å; A68-T72 PolarHBondContact O-N 2.86Å; A68-T72 PolarHBondContact O-OG1 3.03Å |
| 69 | Q | 98.2 | Very high | 98 | Very high | 32 Ų | 32 | 63.4 Ų | 63.4 | 15% | 0.15 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.8 | -39.9 | 177.8 | -173 | 66.9 | 58.2 | 0 | 0 | 112.3 | Y8 F21 I65 Y66 Q71 T72 D73 | Y8-Q69 HydrophobicContact CD2-CG 3.7Å; Y8-Q69 HydrophobicContact CE2-CG 3.61Å; F21-Q69 HydrophobicContact CE2-CB 4.34Å; F21-Q69 HydrophobicContact CE2-CG 3.68Å; F21-Q69 HydrophobicContact CZ-CB 4.07Å; F21-Q69 HydrophobicContact CZ-CG 3.73Å; I65-Q69 WeakPolarHBondContact O-CB 3.39Å; I65-Q69 PolarHBondContact O-N 2.74Å; Y66-Q69 PolarHBondContact O-N 2.84Å; Q69-Q71 PolarHBondContact O-N 3.36Å; Q69-T72 WeakPolarHBondContact O-CB 3.25Å; Q69-T72 PolarHBondContact O-N 3.13Å; Q69-T72 VanDerWaalsContact O-N 3.13Å; Q69-D73 PolarHBondContact NE2-OD1 3.04Å; Q69-D73 PolarHBondContact O-N 3.27Å |
| 70 | A | 98.2 | Very high | 97.9 | Very high | 18 Ų | 18 | 61.9 Ų | 61.9 | 15% | 0.149 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.1 | -35.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | F21 Y66 A68 R74 | F21-A70 HydrophobicContact CB-CB 3.64Å; F21-A70 HydrophobicContact CD1-CB 3.98Å; F21-A70 HydrophobicContact CD2-CB 4.41Å; F21-A70 HydrophobicContact CG-CB 3.76Å; Y66-A70 WeakPolarHBondContact O-CB 3.12Å; Y66-A70 PolarHBondContact O-N 2.8Å; A68-A70 VanDerWaalsContact C-N 3.31Å; A68-A70 PolarHBondContact O-N 3.16Å; A70-R74 WeakPolarHBondContact O-CB 3.42Å; A70-R74 PolarHBondContact O-N 3.03Å; A70-R74 VanDerWaalsContact O-N 3.15Å |
| 71 | Q | 97.9 | Very high | 97.9 | Very high | 98 Ų | 98 | 60 Ų | 60 | 46% | 0.458 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -72.3 | -41.3 | 173.7 | -62.6 | -52.7 | -49.2 | 0 | 0 | 111.9 | K67 A68 Q69 D73 R74 E75 | K67-Q71 PolarHBondContact O-N 2.8Å; A68-Q71 WeakPolarHBondContact O-CB 3.39Å; A68-Q71 PolarHBondContact O-N 3.18Å; Q69-Q71 PolarHBondContact O-N 3.36Å; Q71-D73 PolarHBondContact O-N 2.85Å; Q71-R74 WeakPolarHBondContact O-CB 3.29Å; Q71-R74 PolarHBondContact O-N 2.04Å; Q71-E75 PolarHBondContact O-N 2.66Å; Q71-E75 VanDerWaalsContact O-N 3.15Å |
| 72 | T | 97.8 | Very high | 97.8 | Very high | 70 Ų | 70 | 54.8 Ų | 54.8 | 43% | 0.429 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -58.6 | -48 | 174.5 | -58.9 | 0 | 0 | 0 | 0 | 111.4 | A68 Q69 R74 E75 S76 | A68-T72 PolarHBondContact O-N 2.86Å; A68-T72 PolarHBondContact O-OG1 3.03Å; Q69-T72 WeakPolarHBondContact O-CB 3.25Å; Q69-T72 PolarHBondContact O-N 3.13Å; Q69-T72 VanDerWaalsContact O-N 3.13Å; T72-R74 VanDerWaalsContact C-N 3.3Å; T72-R74 PolarHBondContact O-N 3.44Å; T72-E75 WeakPolarHBondContact O-CB 3.28Å; T72-E75 PolarHBondContact O-N 2.84Å; T72-E75 VanDerWaalsContact O-N 3.1Å; T72-S76 PolarHBondContact O-N 2.83Å; T72-S76 PolarHBondContact O-OG 2.86Å; T72-S76 VanDerWaalsContact O-OG 3.14Å |
| 73 | D | 97.6 | Very high | 97.8 | Very high | 9 Ų | 9 | 56.9 Ų | 56.9 | 5% | 0.048 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.4 | -32.1 | -178.5 | -74.3 | -0.3 | 0 | 0 | 0 | 112.3 | A10 F21 Q69 Q71 E75 S76 L77 L94 | A10-D73 HydrophobicContact CB-CB 3.6Å; F21-D73 HydrophobicContact CD2-CB 4.47Å; F21-D73 WeakPolarHBondContact CD2-OD2 3.5Å; F21-D73 WeakPolarHBondContact CE2-OD2 3.48Å; Q69-D73 PolarHBondContact NE2-OD1 3.04Å; Q69-D73 PolarHBondContact O-N 3.27Å; Q71-D73 PolarHBondContact O-N 2.85Å; D73-E75 VanDerWaalsContact C-N 3.34Å; D73-S76 PolarHBondContact O-N 2.85Å; D73-L77 WeakPolarHBondContact O-CB 3.13Å; D73-L77 VanDerWaalsContact O-CG 3.3Å; D73-L77 WeakPolarHBondContact O-CG 3.11Å; D73-L77 PolarHBondContact O-N 3.46Å; D73-L94 HydrophobicContact CB-CD2 4.42Å |
| 74 | R | 97.5 | Very high | 97.8 | Very high | 58 Ų | 58 | 59.7 Ų | 59.7 | 22% | 0.219 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.9 | -44.2 | 171 | 173.1 | -168.9 | -177.8 | -162.8 | 2.9 | 111.5 | E18 P19 A70 Q71 T72 R78 | E18-R74 VanDerWaalsContact CD-NE 3.31Å; E18-R74 IonicContact OE1-CZ 3.5Å; E18-R74 IonicContact OE1-NE 2.66Å; E18-R74 IonicContact OE1-NH1 3.31Å; E18-R74 IonicContact OE1-NH2 2.82Å; E18-R74 PolarHBondContact OE1-NH2 2.73Å; E18-R74 WeakPolarHBondContact OE2-CD 3.36Å; E18-R74 IonicContact OE2-CZ 3.56Å; E18-R74 IonicContact OE2-NE 3.63Å; E18-R74 PolarHBondContact OE2-NE 3.04Å; E18-R74 IonicContact OE2-NH2 3.35Å; E18-R74 PolarHBondContact OE2-NH2 3.09Å; P19-R74 HydrophobicContact CG-CB 4.27Å; P19-R74 HydrophobicContact CG-CG 4.13Å; A70-R74 WeakPolarHBondContact O-CB 3.42Å; A70-R74 PolarHBondContact O-N 3.03Å; A70-R74 VanDerWaalsContact O-N 3.15Å; Q71-R74 WeakPolarHBondContact O-CB 3.29Å; Q71-R74 PolarHBondContact O-N 2.04Å; T72-R74 VanDerWaalsContact C-N 3.3Å; T72-R74 PolarHBondContact O-N 3.44Å; R74-R78 VanDerWaalsContact CZ-NH2 3.32Å; R74-R78 WeakPolarHBondContact O-CG 3.42Å; R74-R78 PolarHBondContact O-N 3.04Å |
| 75 | E | 97.4 | Very high | 97.7 | Very high | 116 Ų | 116 | 61.5 Ų | 61.5 | 54% | 0.542 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -68.7 | -41.1 | 175.2 | -68.4 | -179.7 | -179.5 | 0 | 0 | 111.7 | Q71 T72 D73 L77 R78 N79 | Q71-E75 PolarHBondContact O-N 2.66Å; Q71-E75 VanDerWaalsContact O-N 3.15Å; T72-E75 WeakPolarHBondContact O-CB 3.28Å; T72-E75 PolarHBondContact O-N 2.84Å; T72-E75 VanDerWaalsContact O-N 3.1Å; D73-E75 VanDerWaalsContact C-N 3.34Å; E75-L77 VanDerWaalsContact C-N 3.35Å; E75-L77 PolarHBondContact O-N 3.01Å; E75-R78 WeakPolarHBondContact O-CB 3.34Å; E75-R78 PolarHBondContact O-N 3.41Å; E75-R78 VanDerWaalsContact O-N 3.14Å; E75-N79 PolarHBondContact O-N 2.89Å; E75-N79 PolarHBondContact O-ND2 2.88Å |
| 76 | S | 97.9 | Very high | 97.7 | Very high | 39 Ų | 39 | 60.6 Ų | 60.6 | 27% | 0.273 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -59 | -44 | 175.2 | -61.9 | 0 | 0 | 0 | 0 | 111.9 | T72 D73 R78 N79 L80 | T72-S76 PolarHBondContact O-N 2.83Å; T72-S76 PolarHBondContact O-OG 2.86Å; T72-S76 VanDerWaalsContact O-OG 3.14Å; D73-S76 PolarHBondContact O-N 2.85Å; S76-R78 VanDerWaalsContact C-N 3.3Å; S76-R78 PolarHBondContact O-N 2.88Å; S76-N79 PolarHBondContact O-N 3.02Å; S76-L80 WeakPolarHBondContact O-CB 3.15Å; S76-L80 VanDerWaalsContact O-CG 3.24Å; S76-L80 WeakPolarHBondContact O-CG 3.24Å; S76-L80 PolarHBondContact O-N 3.07Å |
| 77 | L | 98.2 | Very high | 97.5 | Very high | 9 Ų | 9 | 64 Ų | 64 | 5% | 0.047 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -58.9 | -39.3 | 175 | -77.9 | 167.7 | 0 | 0 | 0 | 112.3 | A10 P19 D73 E75 R81 H92 L94 Y117 | A10-L77 HydrophobicContact CB-CD1 3.89Å; P19-L77 HydrophobicContact CB-CD1 3.66Å; P19-L77 HydrophobicContact CG-CD1 3.85Å; D73-L77 WeakPolarHBondContact O-CB 3.13Å; D73-L77 VanDerWaalsContact O-CG 3.3Å; D73-L77 WeakPolarHBondContact O-CG 3.11Å; D73-L77 PolarHBondContact O-N 3.46Å; E75-L77 VanDerWaalsContact C-N 3.35Å; E75-L77 PolarHBondContact O-N 3.01Å; L77-R81 WeakPolarHBondContact O-CB 3.38Å; L77-R81 PolarHBondContact O-N 2.68Å; L77-R81 VanDerWaalsContact O-N 3.11Å; L77-H92 HydrophobicContact CD2-CB 4.31Å; L77-L94 HydrophobicContact CD2-CB 3.71Å; L77-L94 HydrophobicContact CG-CB 4.14Å; L77-Y117 HydrophobicContact CD2-CE2 4.06Å |
| 78 | R | 96.4 | Very high | 97.1 | Very high | 124 Ų | 124 | 66.4 Ų | 66.4 | 47% | 0.468 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -66.4 | -43.5 | 175.3 | -69.9 | 173.6 | 179.1 | 161.8 | -0.6 | 111.9 | R74 E75 S76 G82 | R74-R78 VanDerWaalsContact CZ-NH2 3.32Å; R74-R78 WeakPolarHBondContact O-CG 3.42Å; R74-R78 PolarHBondContact O-N 3.04Å; E75-R78 WeakPolarHBondContact O-CB 3.34Å; E75-R78 PolarHBondContact O-N 3.41Å; E75-R78 VanDerWaalsContact O-N 3.14Å; S76-R78 VanDerWaalsContact C-N 3.3Å; S76-R78 PolarHBondContact O-N 2.88Å; R78-G82 PolarHBondContact O-N 2.92Å |
| 79 | N | 97.1 | Very high | 96.8 | Very high | 85 Ų | 85 | 67.7 Ų | 67.7 | 46% | 0.455 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.9 | -46.4 | 178.8 | -71.5 | -29.8 | 0 | 0 | 0 | 111.7 | E75 S76 R81 G82 Y83 | E75-N79 PolarHBondContact O-N 2.89Å; E75-N79 PolarHBondContact O-ND2 2.88Å; S76-N79 PolarHBondContact O-N 3.02Å; N79-R81 PolarHBondContact O-N 3.28Å; N79-G82 CarbonylContact O-C 3.51Å; N79-G82 WeakPolarHBondContact O-CA 3.49Å; N79-G82 PolarHBondContact O-N 3.23Å; N79-G82 VanDerWaalsContact O-N 3.08Å; N79-Y83 WeakPolarHBondContact O-CD1 2.85Å; N79-Y83 PolarHBondContact O-N 2.97Å |
| 80 | L | 97.9 | Very high | 96.6 | Very high | 7 Ų | 7 | 67.1 Ų | 67.1 | 4% | 0.037 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -60.5 | -46.3 | 179.1 | -72 | 165.9 | 0 | 0 | 0 | 111.2 | S76 G82 Y83 Y84 L94 Y117 Y122 | S76-L80 WeakPolarHBondContact O-CB 3.15Å; S76-L80 VanDerWaalsContact O-CG 3.24Å; S76-L80 WeakPolarHBondContact O-CG 3.24Å; S76-L80 PolarHBondContact O-N 3.07Å; L80-G82 PolarHBondContact O-N 2.78Å; L80-Y83 PolarHBondContact O-N 3.49Å; L80-Y84 HydrophobicContact CD2-CE2 4.26Å; L80-Y84 VanDerWaalsContact O-CD2 3.26Å; L80-Y84 WeakPolarHBondContact O-CD2 3.36Å; L80-Y84 PolarHBondContact O-N 2.95Å; L80-L94 HydrophobicContact CD1-CD1 3.78Å; L80-L94 HydrophobicContact CD1-CD2 4.13Å; L80-L94 HydrophobicContact CD1-CG 4.38Å; L80-Y117 HydrophobicContact CB-CD1 4.38Å; L80-Y117 HydrophobicContact CB-CD2 4.21Å; L80-Y117 HydrophobicContact CB-CE1 4Å; L80-Y117 HydrophobicContact CB-CE2 3.83Å; L80-Y117 HydrophobicContact CB-CG 4.47Å; L80-Y117 HydrophobicContact CD1-CD2 3.62Å; L80-Y117 HydrophobicContact CD1-CE2 3.91Å; L80-Y117 HydrophobicContact CD1-CG 4.08Å; L80-Y117 HydrophobicContact CG-CD2 4.42Å; L80-Y117 HydrophobicContact CG-CE2 4.47Å; L80-Y122 HydrophobicContact CD2-CD1 4.37Å; L80-Y122 HydrophobicContact CD2-CD2 4.1Å; L80-Y122 HydrophobicContact CD2-CE1 3.8Å; L80-Y122 HydrophobicContact CD2-CE2 3.45Å; L80-Y122 VanDerWaalsContact CD2-CE2 3.45Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.42Å |
| 81 | R | 96.9 | Very high | 96.5 | Very high | 67 Ų | 67 | 70 Ų | 70 | 25% | 0.253 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -53.1 | -41.3 | 173.7 | -172.2 | -174.9 | 66.2 | 165.7 | 12.1 | 111.8 | L77 N79 N85 Q86 E88 | L77-R81 WeakPolarHBondContact O-CB 3.38Å; L77-R81 PolarHBondContact O-N 2.68Å; L77-R81 VanDerWaalsContact O-N 3.11Å; N79-R81 PolarHBondContact O-N 3.28Å; R81-N85 PolarHBondContact O-N 2.83Å; R81-N85 VanDerWaalsContact O-N 3.14Å; R81-Q86 HydrophobicContact CG-CB 3.81Å; R81-Q86 WeakPolarHBondContact CG-O 3Å; R81-Q86 PolarHBondContact O-N 3.42Å; R81-E88 IonicContact CZ-OE1 2.72Å; R81-E88 VanDerWaalsContact CZ-OE1 3.31Å; R81-E88 VanDerWaalsContact NH1-CA 3.35Å; R81-E88 VanDerWaalsContact NH1-CB 3.35Å; R81-E88 VanDerWaalsContact NH1-CG 3.27Å; R81-E88 IonicContact NH1-OE1 2.66Å; R81-E88 PolarHBondContact NH1-OE1 3.35Å; R81-E88 VanDerWaalsContact NH1-OE1 3.13Å; R81-E88 IonicContact NH2-OE1 3.82Å; R81-E88 PolarHBondContact NH2-OE1 3.32Å |
| 82 | G | 97 | Very high | 96.5 | Very high | 44 Ų | 44 | 66.1 Ų | 66.1 | 45% | 0.454 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -66.4 | -44.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | R78 N79 L80 Y84 N85 | R78-G82 PolarHBondContact O-N 2.92Å; N79-G82 CarbonylContact O-C 3.51Å; N79-G82 WeakPolarHBondContact O-CA 3.49Å; N79-G82 PolarHBondContact O-N 3.23Å; N79-G82 VanDerWaalsContact O-N 3.08Å; L80-G82 PolarHBondContact O-N 2.78Å; G82-Y84 VanDerWaalsContact C-N 3.25Å; G82-Y84 PolarHBondContact O-N 3.32Å; G82-N85 PolarHBondContact O-N 3Å; G82-N85 VanDerWaalsContact O-N 3.14Å; G82-N85 PolarHBondContact O-OD1 3.49Å |
| 83 | Y | 97.9 | Very high | 96.5 | Very high | 60 Ų | 60 | 64.7 Ų | 64.7 | 24% | 0.235 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.1 | -34.7 | 179.2 | -64.4 | -10.5 | 0 | 0 | 0 | 112.6 | N79 L80 I141 K145 | N79-Y83 WeakPolarHBondContact O-CD1 2.85Å; N79-Y83 PolarHBondContact O-N 2.97Å; L80-Y83 PolarHBondContact O-N 3.49Å; Y83-I141 HydrophobicContact CD1-CD1 4.22Å; Y83-I141 HydrophobicContact CE1-CG2 4.23Å; Y83-I141 HydrophobicContact CE2-CB 4.27Å; Y83-I141 HydrophobicContact CE2-CG2 4.05Å; Y83-I141 HydrophobicContact CG-CD1 4.24Å; Y83-K145 PolarHBondContact OH-NZ 3.37Å |
| 84 | Y | 97.8 | Very high | 96.6 | Very high | 70 Ų | 70 | 64.4 Ų | 64.4 | 28% | 0.275 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 4.4 | 178.2 | -69.1 | -74.1 | 0 | 0 | 0 | 114.1 | L80 G82 Q86 Y117 Y122 D136 A138 | L80-Y84 HydrophobicContact CD2-CE2 4.26Å; L80-Y84 VanDerWaalsContact O-CD2 3.26Å; L80-Y84 WeakPolarHBondContact O-CD2 3.36Å; L80-Y84 PolarHBondContact O-N 2.95Å; G82-Y84 VanDerWaalsContact C-N 3.25Å; G82-Y84 PolarHBondContact O-N 3.32Å; Y84-Q86 PolarHBondContact O-N 3.23Å; Y84-Y117 AromaticContact CD2-CD1 3.69Å; Y84-Y117 HydrophobicContact CD2-CD1 3.69Å; Y84-Y117 AromaticContact CD2-CE1 3.51Å; Y84-Y117 HydrophobicContact CD2-CE1 3.51Å; Y84-Y117 AromaticContact CE2-CD1 3.5Å; Y84-Y117 HydrophobicContact CE2-CD1 3.5Å; Y84-Y117 AromaticContact CE2-CE1 3.85Å; Y84-Y117 HydrophobicContact CE2-CE1 3.85Å; Y84-Y117 HydrophobicContact CG-CE1 4.37Å; Y84-Y122 HydrophobicContact CE2-CD2 4.31Å; Y84-Y122 AromaticContact CE2-CE2 3.98Å; Y84-Y122 HydrophobicContact CE2-CE2 3.98Å; Y84-Y122 VanDerWaalsContact OH-CD2 3.29Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.21Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.27Å; Y84-D136 VanDerWaalsContact CE1-OD2 3.24Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.49Å; Y84-D136 VanDerWaalsContact OH-CG 3.27Å; Y84-D136 PolarHBondContact OH-OD1 3.4Å; Y84-D136 PolarHBondContact OH-OD2 3.36Å; Y84-A138 HydrophobicContact CD1-CB 4.25Å; Y84-A138 HydrophobicContact CD2-CB 4.46Å; Y84-A138 HydrophobicContact CE1-CB 3.69Å; Y84-A138 HydrophobicContact CE2-CB 3.92Å |
| 85 | N | 96.9 | Very high | 96.6 | Very high | 154 Ų | 154 | 65.4 Ų | 65.4 | 82% | 0.824 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 39.3 | -177.2 | -59.2 | -57.3 | 0 | 0 | 0 | 113.5 | R81 G82 | R81-N85 PolarHBondContact O-N 2.83Å; R81-N85 VanDerWaalsContact O-N 3.14Å; G82-N85 PolarHBondContact O-N 3Å; G82-N85 VanDerWaalsContact O-N 3.14Å; G82-N85 PolarHBondContact O-OD1 3.49Å |
| 86 | Q | 97.1 | Very high | 96.7 | Very high | 59 Ų | 59 | 62.2 Ų | 62.2 | 28% | 0.276 | 34% | 0.34 | S | S | . | . | trans | -86.8 | 152 | -176.1 | -70.9 | 166.4 | -31.8 | 0 | 0 | 112 | R81 Y84 H92 Y117 D118 | R81-Q86 HydrophobicContact CG-CB 3.81Å; R81-Q86 WeakPolarHBondContact CG-O 3Å; R81-Q86 PolarHBondContact O-N 3.42Å; Y84-Q86 PolarHBondContact O-N 3.23Å; Q86-H92 PolarHBondContact NE2-CE1 3.15Å; Q86-H92 PolarHBondContact OE1-CE1 3.45Å; Q86-Y117 PolarHBondContact OE1-OH 2.74Å; Q86-D118 PolarHBondContact NE2-OD2 3.46Å | ||
| 87 | S | 95 | Very high | 96.7 | Very high | 77 Ų | 77 | 61.6 Ų | 61.6 | 54% | 0.538 | 33% | 0.334 | S | S | . | . | trans | -70.1 | 155.7 | -179.1 | 78.1 | 0 | 0 | 0 | 0 | 113.1 | A89 G90 | S87-A89 PolarHBondContact O-N 2.91Å; S87-G90 PolarHBondContact O-N 3.07Å | ||
| 88 | E | 91.2 | Very high | 96.8 | Very high | 138 Ų | 138 | 62 Ų | 62 | 65% | 0.645 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -20.5 | 176.9 | -53.1 | -148 | 119.6 | 0 | 0 | 114.6 | P14 R81 G90 | P14-E88 WeakPolarHBondContact CB-O 3.23Å; P14-E88 VanDerWaalsContact CG-O 3.27Å; P14-E88 WeakPolarHBondContact CG-O 3.42Å; R81-E88 IonicContact CZ-OE1 2.72Å; R81-E88 VanDerWaalsContact CZ-OE1 3.31Å; R81-E88 VanDerWaalsContact NH1-CA 3.35Å; R81-E88 VanDerWaalsContact NH1-CB 3.35Å; R81-E88 VanDerWaalsContact NH1-CG 3.27Å; R81-E88 IonicContact NH1-OE1 2.66Å; R81-E88 PolarHBondContact NH1-OE1 3.35Å; R81-E88 VanDerWaalsContact NH1-OE1 3.13Å; R81-E88 IonicContact NH2-OE1 3.82Å; R81-E88 PolarHBondContact NH2-OE1 3.32Å; E88-G90 VanDerWaalsContact C-N 3.29Å |
| 89 | A | 91.6 | Very high | 96.9 | Very high | 87 Ų | 87 | 56 Ų | 56 | 72% | 0.719 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -12.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | S87 | S87-A89 PolarHBondContact O-N 2.91Š|
| 90 | G | 92.4 | Very high | 97 | Very high | 20 Ų | 20 | 52 Ų | 52 | 21% | 0.206 | 29% | 0.291 | C | S | . | . | trans | -74.9 | 134 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | P14 S87 E88 H92 | P14-G90 WeakPolarHBondContact CG-O 3.45Å; S87-G90 PolarHBondContact O-N 3.07Å; E88-G90 VanDerWaalsContact C-N 3.29Å; G90-H92 PolarHBondContact O-CD2 2.9Å; G90-H92 VanDerWaalsContact O-CD2 3.23Å | ||
| 91 | S | 96.3 | Very high | 97 | Very high | 80 Ų | 80 | 53 Ų | 53 | 56% | 0.559 | 30% | 0.296 | S | S | * | . | trans | -85.3 | 133.1 | 164.9 | -179 | 0 | 0 | 0 | 0 | 108.8 | S12 | S12-S91 WeakPolarHBondContact O-CB 3.2Å; S12-S91 PolarHBondContact O-OG 3.28Å | ||
| 92 | H | 98.3 | Very high | 97 | Very high | 16 Ų | 16 | 50 Ų | 50 | 7% | 0.074 | 29% | 0.285 | C | S | . | . | trans | -132.6 | 149.6 | -174.2 | -63.3 | -73.1 | 0 | 0 | 0 | 110.4 | M11 S12 L77 Q86 G90 Y117 D118 | M11-H92 WeakPolarHBondContact CA-O 3.47Å; S12-H92 PolarHBondContact N-O 3.44Å; S12-H92 PolarHBondContact OG-N 3.06Å; S12-H92 PolarHBondContact OG-O 3.42Å; L77-H92 HydrophobicContact CD2-CB 4.31Å; Q86-H92 PolarHBondContact NE2-CE1 3.15Å; Q86-H92 PolarHBondContact OE1-CE1 3.45Å; G90-H92 PolarHBondContact O-CD2 2.9Å; G90-H92 VanDerWaalsContact O-CD2 3.23Å; H92-Y117 HydrophobicContact CB-CE2 3.81Å; H92-Y117 WeakPolarHBondContact CB-OH 3.17Å; H92-Y117 AromaticContact CG-CZ 4Å; H92-Y117 VanDerWaalsContact CG-OH 3.23Å; H92-Y117 AromaticContact ND1-CZ 3.96Å; H92-Y117 PolarHBondContact ND1-OH 2.84Å; H92-D118 WeakPolarHBondContact CA-OD1 3.43Å; H92-D118 WeakPolarHBondContact CB-OD1 3.43Å; H92-D118 IonicContact CE1-OD2 3.2Å; H92-D118 IonicContact CG-OD1 3.59Å; H92-D118 IonicContact CG-OD2 2.62Å; H92-D118 IonicContact ND1-OD1 2.61Å; H92-D118 IonicContact ND1-OD2 3.22Å; H92-D118 PolarHBondContact ND1-OD2 2.94Å | ||
| 93 | T | 98.6 | Very high | 97.1 | Very high | 39 Ų | 39 | 48.3 Ų | 48.3 | 24% | 0.239 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 127 | -179 | -53.8 | 0 | 0 | 0 | 0 | 110.5 | T9 A10 M11 Q95 Y117 D118 | T9-T93 HydrophobicContact CG2-CG2 3.84Å; A10-T93 WeakPolarHBondContact O-CA 3.29Å; M11-T93 HydrophobicContact CG-CG2 3.95Å; T93-Q95 HydrophobicContact CG2-CG 3.87Å; T93-Y117 WeakPolarHBondContact O-CA 3.28Å; T93-Y117 WeakPolarHBondContact O-CD2 3.27Å; T93-D118 PolarHBondContact N-OD1 3.08Å; T93-D118 PolarHBondContact O-N 3.29Å |
| 94 | L | 98.8 | Very high | 96.9 | Very high | 4 Ų | 4 | 51.3 Ų | 51.3 | 2% | 0.021 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 129.2 | 168.5 | 175.2 | 61 | 0 | 0 | 0 | 108.2 | T9 A10 D73 L77 L80 L115 A116 | T9-L94 WeakPolarHBondContact CA-O 3.4Å; A10-L94 HydrophobicContact CB-CB 4.46Å; A10-L94 PolarHBondContact N-O 2.81Å; A10-L94 PolarHBondContact O-N 3.29Å; D73-L94 HydrophobicContact CB-CD2 4.42Å; L77-L94 HydrophobicContact CD2-CB 3.71Å; L77-L94 HydrophobicContact CG-CB 4.14Å; L80-L94 HydrophobicContact CD1-CD1 3.78Å; L80-L94 HydrophobicContact CD1-CD2 4.13Å; L80-L94 HydrophobicContact CD1-CG 4.38Å; L94-L115 HydrophobicContact CD1-CD2 4.43Å; L94-A116 WeakPolarHBondContact CD1-O 3.3Å |
| 95 | Q | 98.8 | Very high | 96.7 | Very high | 78 Ų | 78 | 53.3 Ų | 53.3 | 36% | 0.364 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 143.3 | 177 | -58.9 | 177.5 | -83.6 | 0 | 0 | 109.6 | Y8 T9 T93 L115 A116 | Y8-Q95 VanDerWaalsContact O-CA 3.28Å; Y8-Q95 WeakPolarHBondContact O-CA 3.14Å; T9-Q95 HydrophobicContact CG2-CG 4.26Å; T93-Q95 HydrophobicContact CG2-CG 3.87Å; Q95-L115 CarbonylContact O-C 3.53Å; Q95-L115 VanDerWaalsContact O-CA 3.24Å; Q95-L115 WeakPolarHBondContact O-CA 3.39Å; Q95-A116 HydrophobicContact CB-CB 4.38Å; Q95-A116 PolarHBondContact N-O 3.49Å; Q95-A116 PolarHBondContact O-N 2.94Å |
| 96 | R | 98.7 | Very high | 96.5 | Very high | 49 Ų | 49 | 46.9 Ų | 46.9 | 19% | 0.185 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 132.3 | 171.5 | -174.9 | -177.7 | -176.4 | -168.4 | -2.1 | 109 | F7 Y8 F98 N113 Q114 L115 D155 | F7-R96 WeakPolarHBondContact CA-O 3.38Å; Y8-R96 PolarHBondContact N-O 2.84Å; Y8-R96 PolarHBondContact O-N 2.84Å; R96-F98 HydrophobicContact CG-CD1 4.11Å; R96-N113 PolarHBondContact NE-OD1 3.31Å; R96-N113 PolarHBondContact NH2-ND2 2.89Å; R96-N113 PolarHBondContact NH2-OD1 2.93Å; R96-Q114 CarbonylContact C-O 3.44Å; R96-Q114 VanDerWaalsContact CA-O 3.28Å; R96-Q114 WeakPolarHBondContact CA-O 3.17Å; R96-L115 HydrophobicContact CB-CG 4.25Å; R96-L115 HydrophobicContact CG-CD1 3.91Å; R96-L115 HydrophobicContact CG-CG 4.12Å; R96-D155 IonicContact NH2-OD1 3.98Å; R96-D155 PolarHBondContact NH2-OD1 2.86Å |
| 97 | M | 98.7 | Very high | 96.4 | Very high | 27 Ų | 27 | 52.3 Ų | 52.3 | 13% | 0.133 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 127.7 | 168.4 | -178 | -78.8 | -68 | 0 | 0 | 108.1 | R5 Y6 F7 H112 N113 Q114 | R5-M97 VanDerWaalsContact CD-SD 3.54Å; Y6-M97 WeakPolarHBondContact O-CA 3.49Å; F7-M97 HydrophobicContact CD1-CB 4.01Å; F7-M97 HydrophobicContact CD1-CG 3.74Å; F7-M97 HydrophobicContact CE1-CB 4.13Å; F7-M97 HydrophobicContact CE1-CG 3.42Å; F7-M97 VanDerWaalsContact CE1-CG 3.42Å; F7-M97 HydrophobicContact CZ-CG 4.07Å; M97-H112 HydrophobicContact CE-CB 4.05Å; M97-H112 HydrophobicContact SD-CB 3.95Å; M97-N113 CarbonylContact O-C 3.59Å; M97-N113 WeakPolarHBondContact O-CA 3.43Å; M97-Q114 HydrophobicContact CE-CG 4.32Å; M97-Q114 PolarHBondContact N-O 2.8Å; M97-Q114 PolarHBondContact O-N 3.45Å |
| 98 | F | 98.8 | Very high | 96.6 | Very high | 16 Ų | 16 | 51.2 Ų | 51.2 | 7% | 0.07 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 158.4 | 174.8 | 68.1 | -78.9 | 0 | 0 | 0 | 110.8 | Y6 Y8 R96 H112 N113 Y158 | Y6-F98 VanDerWaalsContact CB-CE1 3.48Å; Y6-F98 VanDerWaalsContact CB-CZ 3.42Å; Y6-F98 AromaticContact CD2-CE2 3.89Å; Y6-F98 HydrophobicContact CD2-CE2 3.89Å; Y6-F98 AromaticContact CD2-CZ 3.98Å; Y6-F98 HydrophobicContact CD2-CZ 3.98Å; Y6-F98 HydrophobicContact CG-CE1 4.38Å; Y6-F98 HydrophobicContact CG-CE2 4.22Å; Y6-F98 AromaticContact CG-CZ 3.83Å; Y6-F98 HydrophobicContact CG-CZ 3.83Å; Y6-F98 PolarHBondContact N-O 2.79Å; Y6-F98 PolarHBondContact O-N 3.49Å; Y6-F98 VanDerWaalsContact O-N 3.13Å; Y8-F98 HydrophobicContact CD1-CE1 4.14Å; Y8-F98 HydrophobicContact CD2-CE1 4.03Å; Y8-F98 AromaticContact CE1-CE1 3.63Å; Y8-F98 HydrophobicContact CE1-CE1 3.63Å; Y8-F98 AromaticContact CE1-CZ 3.94Å; Y8-F98 HydrophobicContact CE1-CZ 3.94Å; Y8-F98 AromaticContact CE2-CE1 3.54Å; Y8-F98 HydrophobicContact CE2-CE1 3.54Å; Y8-F98 HydrophobicContact CE2-CZ 4.01Å; Y8-F98 HydrophobicContact CG-CE1 4.32Å; Y8-F98 AromaticContact CZ-CE1 3.34Å; Y8-F98 AromaticContact CZ-CZ 3.49Å; Y8-F98 VanDerWaalsContact CZ-CZ 3.49Å; Y8-F98 VanDerWaalsContact OH-CZ 3.28Å; Y8-F98 WeakPolarHBondContact OH-CZ 3.33Å; R96-F98 HydrophobicContact CG-CD1 4.11Å; F98-H112 CarbonylContact C-O 3.55Å; F98-H112 WeakPolarHBondContact CA-O 3.48Å; F98-H112 VanDerWaalsContact CB-O 3.23Å; F98-H112 WeakPolarHBondContact CB-O 3.17Å; F98-N113 HydrophobicContact CB-CB 4.17Å; F98-Y158 AromaticContact CD2-CE1 3.79Å; F98-Y158 HydrophobicContact CD2-CE1 3.79Å; F98-Y158 AromaticContact CE2-CE1 3.88Å; F98-Y158 HydrophobicContact CE2-CE1 3.88Å |
| 99 | G | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 155.7 | -175.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | M4 H112 L159 | M4-G99 CarbonylContact O-C 3.56Å; M4-G99 WeakPolarHBondContact O-CA 3.44Å; G99-H112 PolarHBondContact N-O 2.82Å; G99-H112 PolarHBondContact O-N 3.13Å; G99-L159 WeakPolarHBondContact O-CD2 3.48Å |
| 100 | C | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 146.6 | -174.6 | 51.5 | 0 | 0 | 0 | 0 | 111.2 | S3 M4 L108 R110 C163 | S3-C100 WeakPolarHBondContact CA-O 3.35Å; M4-C100 PolarHBondContact N-O 3.24Å; M4-C100 PolarHBondContact O-N 2.84Å; C100-L108 HydrophobicContact CB-CD1 3.58Å; C100-R110 CarbonylContact C-O 3.58Å; C100-R110 WeakPolarHBondContact CA-O 3.18Å; C100-C163 HydrophobicContact CB-CB 3.94Å; C100-C163 WeakPolarHBondContact CB-SG 3.49Å; C100-C163 PolarHBondContact N-SG 2.87Å; C100-C163 WeakPolarHBondContact SG-CB 3.49Å; C100-C163 PolarHBondContact SG-O 2.88Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 3.11Å |
| 101 | D | 98.6 | Very high | 97.5 | Very high | 29 Ų | 29 | 50 Ų | 50 | 16% | 0.155 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 134.6 | 171.9 | -51.1 | -29.4 | 0 | 0 | 0 | 108.5 | H2 S3 R5 L109 R110 H112 | H2-D101 CarbonylContact O-C 3.57Å; H2-D101 WeakPolarHBondContact O-CA 3.49Å; S3-D101 WeakPolarHBondContact CB-OD1 3.28Å; R5-D101 IonicContact CZ-OD1 3.71Å; R5-D101 IonicContact NE-OD1 3.53Å; R5-D101 IonicContact NH2-OD1 2.74Å; R5-D101 PolarHBondContact NH2-OD1 3Å; R5-D101 IonicContact NH2-OD2 3.7Å; R5-D101 PolarHBondContact NH2-OD2 3.47Å; D101-L109 WeakPolarHBondContact O-CB 3.23Å; D101-L109 PolarHBondContact O-N 3.23Å; D101-R110 HydrophobicContact CB-CB 4.37Å; D101-R110 PolarHBondContact N-O 2.84Å; D101-R110 PolarHBondContact O-N 2.86Å; D101-H112 IonicContact OD1-CD2 3.75Å; D101-H112 IonicContact OD1-NE2 3.63Å; D101-H112 IonicContact OD2-CD2 3.08Å; D101-H112 IonicContact OD2-CE1 3.6Å; D101-H112 IonicContact OD2-NE2 2.72Å; D101-H112 PolarHBondContact OD2-NE2 3.2Å |
| 102 | L | 98.3 | Very high | 97.6 | Very high | 4 Ų | 4 | 47 Ų | 47 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 136.1 | 174.8 | -56.6 | -177 | 0 | 0 | 0 | 111.2 | S1 H2 R107 V164 L167 R168 | S1-L102 WeakPolarHBondContact CA-O 3.29Å; S1-L102 VanDerWaalsContact CB-O 3.29Å; S1-L102 WeakPolarHBondContact CB-O 3.31Å; H2-L102 PolarHBondContact N-O 3.49Å; H2-L102 VanDerWaalsContact N-O 3.11Å; H2-L102 PolarHBondContact O-N 2.82Å; L102-R107 VanDerWaalsContact CA-O 3.28Å; L102-R107 WeakPolarHBondContact CA-O 3.24Å; L102-V164 HydrophobicContact CD1-CG1 4.42Å; L102-V164 HydrophobicContact CD2-CB 4.17Å; L102-V164 HydrophobicContact CD2-CG1 3.83Å; L102-V164 HydrophobicContact CD2-CG2 3.73Å; L102-L167 HydrophobicContact CB-CD2 4.46Å; L102-L167 HydrophobicContact CD1-CB 4.22Å; L102-L167 HydrophobicContact CD1-CD2 3.7Å; L102-L167 HydrophobicContact CD1-CG 3.79Å; L102-L167 HydrophobicContact CG-CD2 3.6Å; L102-L167 HydrophobicContact CG-CG 4.28Å; L102-R168 HydrophobicContact CD1-CG 4.01Å |
| 103 | G | 97.2 | Very high | 97.6 | Very high | 8 Ų | 8 | 46.3 Ų | 46.3 | 8% | 0.082 | 24% | 0.235 | C | C | . | . | trans | -67.1 | 172.9 | 170 | 0 | 0 | 0 | 0 | 0 | 112.6 | D105 G106 R107 | G103-D105 PolarHBondContact O-N 2.87Å; G103-G106 PolarHBondContact O-N 3.17Å; G103-R107 PolarHBondContact N-O 2.89Å | ||
| 104 | P | 94.1 | Very high | 97.6 | Very high | 123 Ų | 123 | 48.1 Ų | 48.1 | 80% | 0.799 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -24.1 | 175.2 | -23.1 | 34.3 | 0 | 0 | 0 | 114 | G106 | P104-G106 PolarHBondContact O-N 2.88Š|
| 105 | D | 93.6 | Very high | 97.6 | Very high | 111 Ų | 111 | 49 Ų | 49 | 59% | 0.594 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | 1.9 | 174.8 | 67.3 | -14.3 | 0 | 0 | 0 | 113.3 | G103 R107 | G103-D105 PolarHBondContact O-N 2.87Å; D105-R107 HydrophobicContact CB-CG 4.49Å; D105-R107 PolarHBondContact O-N 3.16Å; D105-R107 PolarHBondContact OD1-N 3.4Å; D105-R107 WeakPolarHBondContact OD2-CD 3.4Å; D105-R107 VanDerWaalsContact OD2-CG 3.27Å; D105-R107 WeakPolarHBondContact OD2-CG 3.28Å |
| 106 | G | 92.3 | Very high | 97.6 | Very high | 20 Ų | 20 | 46.2 Ų | 46.2 | 21% | 0.206 | 24% | 0.235 | C | C | . | . | S | Bend | trans | 72.1 | 8.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | G103 P104 R168 | G103-G106 PolarHBondContact O-N 3.17Å; P104-G106 PolarHBondContact O-N 2.88Å; G106-R168 VanDerWaalsContact O-CZ 3.32Å; G106-R168 PolarHBondContact O-NE 3.39Å; G106-R168 VanDerWaalsContact O-NE 3.09Å; G106-R168 PolarHBondContact O-NH2 3.38Å |
| 107 | R | 96.1 | Very high | 97.6 | Very high | 172 Ų | 172 | 44.3 Ų | 44.3 | 65% | 0.649 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -87.1 | 155.8 | 176.5 | -58.5 | -177.4 | 97.5 | 106.1 | 0.4 | 110.7 | L102 G103 D105 L109 | L102-R107 VanDerWaalsContact CA-O 3.28Å; L102-R107 WeakPolarHBondContact CA-O 3.24Å; G103-R107 PolarHBondContact N-O 2.89Å; D105-R107 HydrophobicContact CB-CG 4.49Å; D105-R107 PolarHBondContact O-N 3.16Å; D105-R107 PolarHBondContact OD1-N 3.4Å; D105-R107 WeakPolarHBondContact OD2-CD 3.4Å; D105-R107 VanDerWaalsContact OD2-CG 3.27Å; D105-R107 WeakPolarHBondContact OD2-CG 3.28Å; R107-L109 PolarHBondContact O-N 2.84Å; R107-L109 VanDerWaalsContact O-N 3.16Å |
| 108 | L | 98.1 | Very high | 97.6 | Very high | 55 Ų | 55 | 46 Ų | 46 | 29% | 0.288 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -58 | 120.3 | 174.6 | -176.9 | 68.5 | 0 | 0 | 0 | 109.5 | C100 R110 L129 E160 V164 | C100-L108 HydrophobicContact CB-CD1 3.58Å; L108-R110 WeakPolarHBondContact CD1-O 3.39Å; L108-L129 HydrophobicContact CD2-CD1 4.27Å; L108-E160 HydrophobicContact CD2-CB 4.44Å; L108-E160 HydrophobicContact CD2-CG 3.69Å; L108-V164 HydrophobicContact CB-CG2 4Å; L108-V164 HydrophobicContact CD1-CG2 3.98Å; L108-V164 HydrophobicContact CG-CG2 4.49Å |
| 109 | L | 97.9 | Very high | 97.5 | Very high | 124 Ų | 124 | 48.1 Ų | 48.1 | 65% | 0.649 | 26% | 0.264 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.4 | -43 | 172.1 | 179.7 | 63.6 | 0 | 0 | 0 | 110.5 | D101 R107 | D101-L109 WeakPolarHBondContact O-CB 3.23Å; D101-L109 PolarHBondContact O-N 3.23Å; R107-L109 PolarHBondContact O-N 2.84Å; R107-L109 VanDerWaalsContact O-N 3.16Å |
| 110 | R | 97.8 | Very high | 97.5 | Very high | 91 Ų | 91 | 55.8 Ų | 55.8 | 34% | 0.343 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 138 | -177.6 | -173.4 | 173.7 | -179.1 | 124.6 | 8.1 | 111.6 | C100 D101 L108 H112 E127 | C100-R110 CarbonylContact C-O 3.58Å; C100-R110 WeakPolarHBondContact CA-O 3.18Å; D101-R110 HydrophobicContact CB-CB 4.37Å; D101-R110 PolarHBondContact N-O 2.84Å; D101-R110 PolarHBondContact O-N 2.86Å; L108-R110 WeakPolarHBondContact CD1-O 3.39Å; R110-H112 WeakPolarHBondContact CD-CE1 3.39Å; R110-H112 PolarHBondContact NE-CE1 3.39Å; R110-E127 VanDerWaalsContact CZ-CD 3.48Å; R110-E127 VanDerWaalsContact CZ-CG 3.49Å; R110-E127 IonicContact CZ-OE1 4Å; R110-E127 IonicContact NH1-OE1 3.41Å; R110-E127 PolarHBondContact NH1-OE1 2.75Å; R110-E127 IonicContact NH1-OE2 3.3Å; R110-E127 IonicContact NH2-OE1 3.79Å; R110-E127 PolarHBondContact NH2-OE1 2.89Å |
| 111 | G | 98.5 | Very high | 97.5 | Very high | 5 Ų | 5 | 62.1 Ų | 62.1 | 5% | 0.052 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 150.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 112 | H | 98.5 | Very high | 97.5 | Very high | 16 Ų | 16 | 61 Ų | 61 | 7% | 0.074 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 136.8 | -179 | -57.2 | -93.7 | 0 | 0 | 0 | 110.3 | R5 M97 F98 G99 D101 R110 | R5-H112 PolarHBondContact NH2-CE1 3.29Å; R5-H112 PolarHBondContact NH2-NE2 2.83Å; M97-H112 HydrophobicContact CE-CB 4.05Å; M97-H112 HydrophobicContact SD-CB 3.95Å; F98-H112 CarbonylContact C-O 3.55Å; F98-H112 WeakPolarHBondContact CA-O 3.48Å; F98-H112 VanDerWaalsContact CB-O 3.23Å; F98-H112 WeakPolarHBondContact CB-O 3.17Å; G99-H112 PolarHBondContact N-O 2.82Å; G99-H112 PolarHBondContact O-N 3.13Å; D101-H112 IonicContact OD1-CD2 3.75Å; D101-H112 IonicContact OD1-NE2 3.63Å; D101-H112 IonicContact OD2-CD2 3.08Å; D101-H112 IonicContact OD2-CE1 3.6Å; D101-H112 IonicContact OD2-NE2 2.72Å; D101-H112 PolarHBondContact OD2-NE2 3.2Å; R110-H112 WeakPolarHBondContact CD-CE1 3.39Å; R110-H112 PolarHBondContact NE-CE1 3.39Å |
| 113 | N | 98.6 | Very high | 97.5 | Very high | 2 Ų | 2 | 60.9 Ų | 60.9 | 1% | 0.011 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 110.9 | 161.7 | -177.7 | 9.6 | 0 | 0 | 0 | 108.7 | R96 M97 F98 L125 D155 | R96-N113 PolarHBondContact NE-OD1 3.31Å; R96-N113 PolarHBondContact NH2-ND2 2.89Å; R96-N113 PolarHBondContact NH2-OD1 2.93Å; M97-N113 CarbonylContact O-C 3.59Å; M97-N113 WeakPolarHBondContact O-CA 3.43Å; F98-N113 HydrophobicContact CB-CB 4.17Å; N113-L125 HydrophobicContact CB-CB 4.01Å; N113-L125 HydrophobicContact CB-CD2 4.23Å; N113-L125 WeakPolarHBondContact O-CB 3.49Å; N113-L125 PolarHBondContact O-N 3.35Å; N113-D155 PolarHBondContact ND2-OD1 3.25Å; N113-D155 PolarHBondContact ND2-OD2 3.22Å |
| 114 | Q | 98.6 | Very high | 97.6 | Very high | 77 Ų | 77 | 61.7 Ų | 61.7 | 36% | 0.36 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 136.9 | -173.3 | -58.6 | -179.3 | -19.6 | 0 | 0 | 110.1 | R96 M97 A124 | R96-Q114 CarbonylContact C-O 3.44Å; R96-Q114 VanDerWaalsContact CA-O 3.28Å; R96-Q114 WeakPolarHBondContact CA-O 3.17Å; M97-Q114 HydrophobicContact CE-CG 4.32Å; M97-Q114 PolarHBondContact N-O 2.8Å; M97-Q114 PolarHBondContact O-N 3.45Å; Q114-A124 HydrophobicContact CB-CB 4.4Å; Q114-A124 HydrophobicContact CG-CB 3.84Å |
| 115 | L | 98.8 | Very high | 97.8 | Very high | 23 Ų | 23 | 56.3 Ų | 56.3 | 12% | 0.12 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 141.5 | 177.3 | -73.4 | 72.1 | 0 | 0 | 0 | 109.9 | L94 Q95 R96 Y122 I123 W146 | L94-L115 HydrophobicContact CD1-CD2 4.43Å; Q95-L115 CarbonylContact O-C 3.53Å; Q95-L115 VanDerWaalsContact O-CA 3.24Å; Q95-L115 WeakPolarHBondContact O-CA 3.39Å; R96-L115 HydrophobicContact CB-CG 4.25Å; R96-L115 HydrophobicContact CG-CD1 3.91Å; R96-L115 HydrophobicContact CG-CG 4.12Å; L115-Y122 HydrophobicContact CB-CD1 4.44Å; L115-Y122 WeakPolarHBondContact O-CB 3.48Å; L115-Y122 PolarHBondContact O-N 3.2Å; L115-I123 HydrophobicContact CB-CG2 4.14Å; L115-I123 HydrophobicContact CD1-CG2 4.33Å; L115-I123 HydrophobicContact CD2-CG2 4.46Å; L115-I123 PolarHBondContact N-O 2.65Å; L115-I123 PolarHBondContact O-N 3.28Å; L115-W146 HydrophobicContact CD1-CH2 3.84Å; L115-W146 HydrophobicContact CD1-CZ3 4.32Å; L115-W146 HydrophobicContact CD2-CH2 3.84Å; L115-W146 HydrophobicContact CD2-CZ2 4.4Å |
| 116 | A | 98.8 | Very high | 98.1 | Very high | 18 Ų | 18 | 53 Ų | 53 | 15% | 0.149 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 145.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | L94 Q95 K120 | L94-A116 WeakPolarHBondContact CD1-O 3.3Å; Q95-A116 HydrophobicContact CB-CB 4.38Å; Q95-A116 PolarHBondContact N-O 3.49Å; Q95-A116 PolarHBondContact O-N 2.94Å; A116-K120 CarbonylContact C-O 3.59Å; A116-K120 WeakPolarHBondContact CA-O 3.12Å; A116-K120 VanDerWaalsContact CB-O 3.29Å; A116-K120 WeakPolarHBondContact CB-O 3.17Å |
| 117 | Y | 98.8 | Very high | 98.3 | Very high | 10 Ų | 10 | 58.6 Ų | 58.6 | 4% | 0.039 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 126.7 | 176.7 | -173.3 | -122.5 | 0 | 0 | 0 | 110.1 | L77 L80 Y84 Q86 H92 T93 G119 K120 | L77-Y117 HydrophobicContact CD2-CE2 4.06Å; L80-Y117 HydrophobicContact CB-CD1 4.38Å; L80-Y117 HydrophobicContact CB-CD2 4.21Å; L80-Y117 HydrophobicContact CB-CE1 4Å; L80-Y117 HydrophobicContact CB-CE2 3.83Å; L80-Y117 HydrophobicContact CB-CG 4.47Å; L80-Y117 HydrophobicContact CD1-CD2 3.62Å; L80-Y117 HydrophobicContact CD1-CE2 3.91Å; L80-Y117 HydrophobicContact CD1-CG 4.08Å; L80-Y117 HydrophobicContact CG-CD2 4.42Å; L80-Y117 HydrophobicContact CG-CE2 4.47Å; Y84-Y117 AromaticContact CD2-CD1 3.69Å; Y84-Y117 HydrophobicContact CD2-CD1 3.69Å; Y84-Y117 AromaticContact CD2-CE1 3.51Å; Y84-Y117 HydrophobicContact CD2-CE1 3.51Å; Y84-Y117 AromaticContact CE2-CD1 3.5Å; Y84-Y117 HydrophobicContact CE2-CD1 3.5Å; Y84-Y117 AromaticContact CE2-CE1 3.85Å; Y84-Y117 HydrophobicContact CE2-CE1 3.85Å; Y84-Y117 HydrophobicContact CG-CE1 4.37Å; Q86-Y117 PolarHBondContact OE1-OH 2.74Å; H92-Y117 HydrophobicContact CB-CE2 3.81Å; H92-Y117 WeakPolarHBondContact CB-OH 3.17Å; H92-Y117 AromaticContact CG-CZ 4Å; H92-Y117 VanDerWaalsContact CG-OH 3.23Å; H92-Y117 AromaticContact ND1-CZ 3.96Å; H92-Y117 PolarHBondContact ND1-OH 2.84Å; T93-Y117 WeakPolarHBondContact O-CA 3.28Å; T93-Y117 WeakPolarHBondContact O-CD2 3.27Å; Y117-G119 PolarHBondContact O-N 3.11Å; Y117-K120 PolarHBondContact N-O 3.05Å; Y117-K120 PolarHBondContact O-N 3.02Å |
| 118 | D | 98.3 | Very high | 98.4 | Very high | 63 Ų | 63 | 54.4 Ų | 54.4 | 34% | 0.337 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.5 | 39.6 | -174.6 | -66 | -21.8 | 0 | 0 | 0 | 113.2 | Q86 H92 T93 K120 | Q86-D118 PolarHBondContact NE2-OD2 3.46Å; H92-D118 WeakPolarHBondContact CA-OD1 3.43Å; H92-D118 WeakPolarHBondContact CB-OD1 3.43Å; H92-D118 IonicContact CE1-OD2 3.2Å; H92-D118 IonicContact CG-OD1 3.59Å; H92-D118 IonicContact CG-OD2 2.62Å; H92-D118 IonicContact ND1-OD1 2.61Å; H92-D118 IonicContact ND1-OD2 3.22Å; H92-D118 PolarHBondContact ND1-OD2 2.94Å; T93-D118 PolarHBondContact N-OD1 3.08Å; T93-D118 PolarHBondContact O-N 3.29Å; D118-K120 VanDerWaalsContact C-N 3.31Å; D118-K120 PolarHBondContact O-N 3.34Å |
| 119 | G | 97.7 | Very high | 98.4 | Very high | 60 Ų | 60 | 52.3 Ų | 52.3 | 62% | 0.619 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.8 | 8.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y117 | Y117-G119 PolarHBondContact O-N 3.11Š|
| 120 | K | 98.5 | Very high | 98.4 | Very high | 161 Ų | 161 | 49.5 Ų | 49.5 | 70% | 0.7 | 27% | 0.268 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 146.9 | 175.5 | -62.1 | -178.3 | -178 | 178.4 | 0 | 110.7 | A116 Y117 D118 Y122 | A116-K120 CarbonylContact C-O 3.59Å; A116-K120 WeakPolarHBondContact CA-O 3.12Å; A116-K120 VanDerWaalsContact CB-O 3.29Å; A116-K120 WeakPolarHBondContact CB-O 3.17Å; Y117-K120 PolarHBondContact N-O 3.05Å; Y117-K120 PolarHBondContact O-N 3.02Å; D118-K120 VanDerWaalsContact C-N 3.31Å; D118-K120 PolarHBondContact O-N 3.34Å; K120-Y122 PolarHBondContact O-N 2.89Å |
| 121 | D | 98.7 | Very high | 98.5 | Very high | 132 Ų | 132 | 47 Ų | 47 | 71% | 0.706 | 26% | 0.264 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -53.5 | 136.4 | 173.6 | -66.3 | -12.4 | 0 | 0 | 0 | 110.5 | A135 | D121-A135 HydrophobicContact CB-CB 4.25Å; D121-A135 WeakPolarHBondContact O-CB 3.33Å |
| 122 | Y | 98.8 | Very high | 98.5 | Very high | 5 Ų | 5 | 47.2 Ų | 47.2 | 2% | 0.02 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | -64.4 | 178.1 | -178.3 | -108.8 | 0 | 0 | 0 | 110.4 | L80 Y84 L115 K120 A135 A138 A139 T142 | L80-Y122 HydrophobicContact CD2-CD1 4.37Å; L80-Y122 HydrophobicContact CD2-CD2 4.1Å; L80-Y122 HydrophobicContact CD2-CE1 3.8Å; L80-Y122 HydrophobicContact CD2-CE2 3.45Å; L80-Y122 VanDerWaalsContact CD2-CE2 3.45Å; L80-Y122 WeakPolarHBondContact CD2-OH 3.42Å; Y84-Y122 HydrophobicContact CE2-CD2 4.31Å; Y84-Y122 AromaticContact CE2-CE2 3.98Å; Y84-Y122 HydrophobicContact CE2-CE2 3.98Å; Y84-Y122 VanDerWaalsContact OH-CD2 3.29Å; Y84-Y122 WeakPolarHBondContact OH-CD2 3.21Å; Y84-Y122 WeakPolarHBondContact OH-CE2 3.27Å; L115-Y122 HydrophobicContact CB-CD1 4.44Å; L115-Y122 WeakPolarHBondContact O-CB 3.48Å; L115-Y122 PolarHBondContact O-N 3.2Å; K120-Y122 PolarHBondContact O-N 2.89Å; Y122-A135 WeakPolarHBondContact O-CB 3.09Å; Y122-A135 PolarHBondContact O-N 2.95Å; Y122-A138 HydrophobicContact CE2-CB 4.44Å; Y122-A138 PolarHBondContact OH-O 3.34Å; Y122-A139 HydrophobicContact CD2-CB 3.83Å; Y122-A139 HydrophobicContact CE1-CB 4.4Å; Y122-A139 HydrophobicContact CE2-CB 3.71Å; Y122-A139 HydrophobicContact CG-CB 4.24Å; Y122-A139 WeakPolarHBondContact O-CB 3.44Å; Y122-T142 HydrophobicContact CE1-CG2 4.21Å; Y122-T142 PolarHBondContact OH-OG1 3.33Å |
| 123 | I | 98.8 | Very high | 98.5 | Very high | 3 Ų | 3 | 50.2 Ų | 50.2 | 2% | 0.015 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 141.9 | 178.1 | -162.9 | 173.9 | 0 | 0 | 0 | 110.7 | L115 W132 T133 T142 Q143 W146 | L115-I123 HydrophobicContact CB-CG2 4.14Å; L115-I123 HydrophobicContact CD1-CG2 4.33Å; L115-I123 HydrophobicContact CD2-CG2 4.46Å; L115-I123 PolarHBondContact N-O 2.65Å; L115-I123 PolarHBondContact O-N 3.28Å; I123-W132 HydrophobicContact CD1-CB 4.1Å; I123-W132 HydrophobicContact CD1-CD2 4.34Å; I123-W132 HydrophobicContact CD1-CE3 4.17Å; I123-W132 HydrophobicContact CD1-CG 4.32Å; I123-W132 HydrophobicContact CG1-CB 4.23Å; I123-W132 HydrophobicContact CG1-CE3 4.01Å; I123-T133 WeakPolarHBondContact CA-O 3.13Å; I123-T133 WeakPolarHBondContact CG1-O 3.39Å; I123-T142 HydrophobicContact CD1-CG2 4.15Å; I123-Q143 HydrophobicContact CD1-CB 3.86Å; I123-W146 HydrophobicContact CD1-CE3 4.18Å; I123-W146 HydrophobicContact CD1-CZ3 4.49Å; I123-W146 HydrophobicContact CG2-CH2 4.22Å; I123-W146 HydrophobicContact CG2-CZ3 3.86Å |
| 124 | A | 98.8 | Very high | 98.5 | Very high | 24 Ų | 24 | 51.2 Ų | 51.2 | 20% | 0.198 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 137.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q114 W132 T133 | Q114-A124 HydrophobicContact CB-CB 4.4Å; Q114-A124 HydrophobicContact CG-CB 3.84Å; A124-W132 VanDerWaalsContact C-CE3 3.47Å; A124-W132 CarbonylContact O-C 3.59Å; A124-W132 WeakPolarHBondContact O-CA 3.45Å; A124-T133 PolarHBondContact N-O 3.1Å; A124-T133 PolarHBondContact O-N 2.94Å |
| 125 | L | 98.8 | Very high | 98.5 | Very high | 10 Ų | 10 | 50.3 Ų | 50.3 | 5% | 0.052 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 129.3 | 168.4 | -175.1 | 66 | 0 | 0 | 0 | 108.6 | N113 L129 W132 A152 D155 L159 | N113-L125 HydrophobicContact CB-CB 4.01Å; N113-L125 HydrophobicContact CB-CD2 4.23Å; N113-L125 WeakPolarHBondContact O-CB 3.49Å; N113-L125 PolarHBondContact O-N 3.35Å; L125-L129 HydrophobicContact CD2-CD2 3.77Å; L125-L129 HydrophobicContact CG-CD2 4.29Å; L125-W132 HydrophobicContact CB-CE3 3.99Å; L125-W132 HydrophobicContact CB-CH2 3.94Å; L125-W132 HydrophobicContact CB-CZ3 3.58Å; L125-W132 HydrophobicContact CD1-CD2 4.18Å; L125-W132 HydrophobicContact CD1-CE3 4.33Å; L125-W132 HydrophobicContact CD1-CH2 3.98Å; L125-W132 HydrophobicContact CD1-CZ2 3.82Å; L125-W132 HydrophobicContact CD1-CZ3 4.22Å; L125-W132 HydrophobicContact CG-CH2 4.44Å; L125-W132 HydrophobicContact CG-CZ3 4.47Å; L125-A152 HydrophobicContact CD1-CB 3.91Å; L125-D155 HydrophobicContact CD2-CB 4.05Å; L125-L159 HydrophobicContact CD2-CD1 3.85Å |
| 126 | N | 98.7 | Very high | 98.5 | Very high | 43 Ų | 43 | 51.8 Ų | 51.8 | 23% | 0.23 | 31% | 0.306 | C | S | . | . | trans | -74.6 | 164.5 | 179.4 | -66.9 | -28.4 | 0 | 0 | 0 | 111.3 | D128 L129 S131 T133 | N126-D128 PolarHBondContact O-N 2.88Å; N126-D128 VanDerWaalsContact O-N 3.12Å; N126-L129 PolarHBondContact O-N 2.95Å; N126-S131 WeakPolarHBondContact CB-O 3.33Å; N126-S131 WeakPolarHBondContact CB-OG 3.46Å; N126-S131 PolarHBondContact N-O 3.44Å; N126-S131 PolarHBondContact ND2-OG 2.85Å; N126-T133 PolarHBondContact ND2-OG1 2.61Å; N126-T133 WeakPolarHBondContact OD1-CB 3.43Å; N126-T133 PolarHBondContact OD1-OG1 3.19Å | ||
| 127 | E | 97.8 | Very high | 98.4 | Very high | 137 Ų | 137 | 56.2 Ų | 56.2 | 64% | 0.64 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -22.5 | -178.5 | -68.6 | 178.6 | -158.6 | 0 | 0 | 113.7 | R110 L129 | R110-E127 VanDerWaalsContact CZ-CD 3.48Å; R110-E127 VanDerWaalsContact CZ-CG 3.49Å; R110-E127 IonicContact CZ-OE1 4Å; R110-E127 IonicContact NH1-OE1 3.41Å; R110-E127 PolarHBondContact NH1-OE1 2.75Å; R110-E127 IonicContact NH1-OE2 3.3Å; R110-E127 IonicContact NH2-OE1 3.79Å; R110-E127 PolarHBondContact NH2-OE1 2.89Å; E127-L129 PolarHBondContact O-N 2.82Å |
| 128 | D | 97.9 | Very high | 98.4 | Very high | 84 Ų | 84 | 56 Ų | 56 | 45% | 0.449 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -5.9 | 174.7 | 67.2 | 21.1 | 0 | 0 | 0 | 113.8 | N126 S130 S131 | N126-D128 PolarHBondContact O-N 2.88Å; N126-D128 VanDerWaalsContact O-N 3.12Å; D128-S130 PolarHBondContact O-N 2.63Å; D128-S130 VanDerWaalsContact O-N 3.1Å; D128-S130 WeakPolarHBondContact OD1-CA 3.38Å; D128-S130 PolarHBondContact OD1-N 3.16Å; D128-S130 PolarHBondContact OD1-OG 3.42Å; D128-S130 PolarHBondContact OD2-OG 2.99Å; D128-S131 VanDerWaalsContact CG-OG 3.27Å; D128-S131 PolarHBondContact OD1-N 2.84Å; D128-S131 PolarHBondContact OD1-OG 2.8Å; D128-S131 WeakPolarHBondContact OD2-CB 3.35Å; D128-S131 PolarHBondContact OD2-OG 3.12Å |
| 129 | L | 98.3 | Very high | 98.4 | Very high | 10 Ų | 10 | 53 Ų | 53 | 5% | 0.052 | 32% | 0.315 | C | S | . | . | S | Bend | trans | 51.5 | 30.8 | -177.2 | -52.4 | -176.7 | 0 | 0 | 0 | 113.6 | L108 L125 N126 E127 R156 L159 E160 | L108-L129 HydrophobicContact CD2-CD1 4.27Å; L125-L129 HydrophobicContact CD2-CD2 3.77Å; L125-L129 HydrophobicContact CG-CD2 4.29Å; N126-L129 PolarHBondContact O-N 2.95Å; E127-L129 PolarHBondContact O-N 2.82Å; L129-R156 HydrophobicContact CB-CB 4.07Å; L129-R156 HydrophobicContact CB-CG 3.93Å; L129-R156 HydrophobicContact CD1-CG 4.18Å; L129-L159 HydrophobicContact CD2-CD1 3.93Å; L129-E160 HydrophobicContact CD1-CG 4.31Å |
| 130 | S | 97.9 | Very high | 98.4 | Very high | 66 Ų | 66 | 53.8 Ų | 53.8 | 46% | 0.462 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -141.3 | -24.8 | -175.7 | 67.5 | 0 | 0 | 0 | 0 | 113.6 | D128 | D128-S130 PolarHBondContact O-N 2.63Å; D128-S130 VanDerWaalsContact O-N 3.1Å; D128-S130 WeakPolarHBondContact OD1-CA 3.38Å; D128-S130 PolarHBondContact OD1-N 3.16Å; D128-S130 PolarHBondContact OD1-OG 3.42Å; D128-S130 PolarHBondContact OD2-OG 2.99Å |
| 131 | S | 98.3 | Very high | 98.4 | Very high | 37 Ų | 37 | 49 Ų | 49 | 26% | 0.259 | 28% | 0.284 | S | S | . | . | trans | -119.8 | 162.7 | -179.8 | 70.2 | 0 | 0 | 0 | 0 | 112.3 | N126 D128 | N126-S131 WeakPolarHBondContact CB-O 3.33Å; N126-S131 WeakPolarHBondContact CB-OG 3.46Å; N126-S131 PolarHBondContact N-O 3.44Å; N126-S131 PolarHBondContact ND2-OG 2.85Å; D128-S131 VanDerWaalsContact CG-OG 3.27Å; D128-S131 PolarHBondContact OD1-N 2.84Å; D128-S131 PolarHBondContact OD1-OG 2.8Å; D128-S131 WeakPolarHBondContact OD2-CB 3.35Å; D128-S131 PolarHBondContact OD2-OG 3.12Å | ||
| 132 | W | 98.8 | Very high | 98.4 | Very high | 10 Ų | 10 | 43.5 Ų | 43.5 | 4% | 0.038 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 146 | -176.6 | -61.5 | 91.6 | 0 | 0 | 0 | 111.4 | I123 A124 L125 Q143 W146 V151 A152 D155 | I123-W132 HydrophobicContact CD1-CB 4.1Å; I123-W132 HydrophobicContact CD1-CD2 4.34Å; I123-W132 HydrophobicContact CD1-CE3 4.17Å; I123-W132 HydrophobicContact CD1-CG 4.32Å; I123-W132 HydrophobicContact CG1-CB 4.23Å; I123-W132 HydrophobicContact CG1-CE3 4.01Å; A124-W132 VanDerWaalsContact C-CE3 3.47Å; A124-W132 CarbonylContact O-C 3.59Å; A124-W132 WeakPolarHBondContact O-CA 3.45Å; L125-W132 HydrophobicContact CB-CE3 3.99Å; L125-W132 HydrophobicContact CB-CH2 3.94Å; L125-W132 HydrophobicContact CB-CZ3 3.58Å; L125-W132 HydrophobicContact CD1-CD2 4.18Å; L125-W132 HydrophobicContact CD1-CE3 4.33Å; L125-W132 HydrophobicContact CD1-CH2 3.98Å; L125-W132 HydrophobicContact CD1-CZ2 3.82Å; L125-W132 HydrophobicContact CD1-CZ3 4.22Å; L125-W132 HydrophobicContact CG-CH2 4.44Å; L125-W132 HydrophobicContact CG-CZ3 4.47Å; W132-Q143 HydrophobicContact CB-CG 4.16Å; W132-Q143 PolarHBondContact O-NE2 3.14Å; W132-Q143 VanDerWaalsContact O-NE2 3.16Å; W132-W146 AromaticContact CD2-CE3 3.93Å; W132-W146 HydrophobicContact CD2-CE3 3.93Å; W132-W146 HydrophobicContact CD2-CZ3 4.42Å; W132-W146 AromaticContact CE2-CE3 3.72Å; W132-W146 AromaticContact CE3-CE3 3.87Å; W132-W146 HydrophobicContact CE3-CE3 3.87Å; W132-W146 AromaticContact CE3-CZ3 3.9Å; W132-W146 HydrophobicContact CE3-CZ3 3.9Å; W132-W146 AromaticContact CH2-CE3 3.45Å; W132-W146 HydrophobicContact CH2-CE3 3.45Å; W132-W146 VanDerWaalsContact CH2-CE3 3.45Å; W132-W146 HydrophobicContact CH2-CH2 4.46Å; W132-W146 AromaticContact CH2-CZ3 3.33Å; W132-W146 HydrophobicContact CH2-CZ3 3.33Å; W132-W146 HydrophobicContact CZ2-CD2 4.46Å; W132-W146 AromaticContact CZ2-CE3 3.48Å; W132-W146 HydrophobicContact CZ2-CE3 3.48Å; W132-W146 VanDerWaalsContact CZ2-CE3 3.48Å; W132-W146 AromaticContact CZ2-CZ3 3.9Å; W132-W146 HydrophobicContact CZ2-CZ3 3.9Å; W132-W146 AromaticContact CZ3-CE3 3.65Å; W132-W146 HydrophobicContact CZ3-CE3 3.65Å; W132-W146 AromaticContact CZ3-CZ3 3.34Å; W132-W146 HydrophobicContact CZ3-CZ3 3.34Å; W132-V151 HydrophobicContact CZ2-CB 4.43Å; W132-V151 HydrophobicContact CZ2-CG1 4.12Å; W132-A152 HydrophobicContact CZ2-CB 4.24Å; W132-D155 VanDerWaalsContact CH2-OD2 3.26Å; W132-D155 WeakPolarHBondContact CH2-OD2 3.26Å |
| 133 | T | 98.8 | Very high | 98.4 | Very high | 79 Ų | 79 | 45 Ų | 45 | 49% | 0.485 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 116 | 166.1 | -65.1 | 0 | 0 | 0 | 0 | 109 | I123 A124 N126 | I123-T133 WeakPolarHBondContact CA-O 3.13Å; I123-T133 WeakPolarHBondContact CG1-O 3.39Å; A124-T133 PolarHBondContact N-O 3.1Å; A124-T133 PolarHBondContact O-N 2.94Å; N126-T133 PolarHBondContact ND2-OG1 2.61Å; N126-T133 WeakPolarHBondContact OD1-CB 3.43Å; N126-T133 PolarHBondContact OD1-OG1 3.19Å |
| 134 | A | 98.7 | Very high | 98.4 | Very high | 23 Ų | 23 | 52.3 Ų | 52.3 | 19% | 0.19 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 133.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | A139 Q140 Q143 | A134-A139 HydrophobicContact CB-CB 3.75Å; A134-Q140 HydrophobicContact CB-CG 3.93Å; A134-Q143 HydrophobicContact CB-CB 4.38Å |
| 135 | A | 98.6 | Very high | 98.4 | Very high | 59 Ų | 59 | 56.7 Ų | 56.7 | 49% | 0.488 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -76.7 | -30.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | D121 Y122 | D121-A135 HydrophobicContact CB-CB 4.25Å; D121-A135 WeakPolarHBondContact O-CB 3.33Å; Y122-A135 WeakPolarHBondContact O-CB 3.09Å; Y122-A135 PolarHBondContact O-N 2.95Å |
| 136 | D | 98.3 | Very high | 98.3 | Very high | 54 Ų | 54 | 59 Ų | 59 | 29% | 0.289 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -149.9 | -175.8 | -178.8 | 66.4 | 25.8 | 0 | 0 | 0 | 112.8 | Y84 A138 A139 Q140 | Y84-D136 VanDerWaalsContact CE1-OD2 3.24Å; Y84-D136 WeakPolarHBondContact CE1-OD2 3.49Å; Y84-D136 VanDerWaalsContact OH-CG 3.27Å; Y84-D136 PolarHBondContact OH-OD1 3.4Å; Y84-D136 PolarHBondContact OH-OD2 3.36Å; D136-A138 VanDerWaalsContact C-N 3.3Å; D136-A138 PolarHBondContact O-N 2.81Å; D136-A138 WeakPolarHBondContact OD1-CA 3.49Å; D136-A138 WeakPolarHBondContact OD1-CB 3.38Å; D136-A138 PolarHBondContact OD1-N 2.75Å; D136-A139 PolarHBondContact O-N 3.2Å; D136-A139 PolarHBondContact OD1-N 2.92Å; D136-Q140 WeakPolarHBondContact O-CG 3.24Å; D136-Q140 PolarHBondContact O-N 2.82Å |
| 137 | T | 98.1 | Very high | 98.3 | Very high | 111 Ų | 111 | 61.5 Ų | 61.5 | 68% | 0.681 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -66.7 | -28.4 | -179.2 | 51.5 | 0 | 0 | 0 | 0 | 113.6 | ||
| 138 | A | 97.8 | Very high | 98.4 | Very high | 6 Ų | 6 | 59.1 Ų | 59.1 | 5% | 0.05 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -70.9 | -44.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y84 Y122 D136 Q140 I141 | Y84-A138 HydrophobicContact CD1-CB 4.25Å; Y84-A138 HydrophobicContact CD2-CB 4.46Å; Y84-A138 HydrophobicContact CE1-CB 3.69Å; Y84-A138 HydrophobicContact CE2-CB 3.92Å; Y122-A138 HydrophobicContact CE2-CB 4.44Å; Y122-A138 PolarHBondContact OH-O 3.34Å; D136-A138 VanDerWaalsContact C-N 3.3Å; D136-A138 PolarHBondContact O-N 2.81Å; D136-A138 WeakPolarHBondContact OD1-CA 3.49Å; D136-A138 WeakPolarHBondContact OD1-CB 3.38Å; D136-A138 PolarHBondContact OD1-N 2.75Å; A138-Q140 VanDerWaalsContact C-N 3.27Å; A138-Q140 PolarHBondContact O-N 3.45Å; A138-I141 VanDerWaalsContact O-CB 3.25Å; A138-I141 WeakPolarHBondContact O-CB 3.37Å; A138-I141 PolarHBondContact O-N 3.43Å |
| 139 | A | 98.5 | Very high | 98.4 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61 | -33 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y122 A134 D136 I141 T142 Q143 | Y122-A139 HydrophobicContact CD2-CB 3.83Å; Y122-A139 HydrophobicContact CE1-CB 4.4Å; Y122-A139 HydrophobicContact CE2-CB 3.71Å; Y122-A139 HydrophobicContact CG-CB 4.24Å; Y122-A139 WeakPolarHBondContact O-CB 3.44Å; A134-A139 HydrophobicContact CB-CB 3.75Å; D136-A139 PolarHBondContact O-N 3.2Å; D136-A139 PolarHBondContact OD1-N 2.92Å; A139-I141 PolarHBondContact O-N 2.87Å; A139-T142 WeakPolarHBondContact O-CB 3.49Å; A139-T142 PolarHBondContact O-N 3.23Å; A139-Q143 PolarHBondContact O-N 3.45Å |
| 140 | Q | 98.7 | Very high | 98.4 | Very high | 75 Ų | 75 | 64.9 Ų | 64.9 | 35% | 0.35 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.2 | -27.2 | 173.5 | -73.3 | 174.6 | 6.9 | 0 | 0 | 113 | A134 D136 A138 R144 | A134-Q140 HydrophobicContact CB-CG 3.93Å; D136-Q140 WeakPolarHBondContact O-CG 3.24Å; D136-Q140 PolarHBondContact O-N 2.82Å; A138-Q140 VanDerWaalsContact C-N 3.27Å; A138-Q140 PolarHBondContact O-N 3.45Å; Q140-R144 WeakPolarHBondContact O-CG 3.49Å; Q140-R144 PolarHBondContact O-N 3.08Å; Q140-R144 VanDerWaalsContact O-N 3.13Å |
| 141 | I | 98.3 | Very high | 98.4 | Very high | 60 Ų | 60 | 63 Ų | 63 | 31% | 0.308 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65.7 | -45.4 | 173.5 | -57.8 | 170.6 | 0 | 0 | 0 | 109.7 | Y83 A138 A139 K145 | Y83-I141 HydrophobicContact CD1-CD1 4.22Å; Y83-I141 HydrophobicContact CE1-CG2 4.23Å; Y83-I141 HydrophobicContact CE2-CB 4.27Å; Y83-I141 HydrophobicContact CE2-CG2 4.05Å; Y83-I141 HydrophobicContact CG-CD1 4.24Å; A138-I141 VanDerWaalsContact O-CB 3.25Å; A138-I141 WeakPolarHBondContact O-CB 3.37Å; A138-I141 PolarHBondContact O-N 3.43Å; A139-I141 PolarHBondContact O-N 2.87Å; I141-K145 WeakPolarHBondContact O-CG 3.37Å; I141-K145 PolarHBondContact O-N 3.06Å |
| 142 | T | 98.3 | Very high | 98.4 | Very high | 17 Ų | 17 | 61.6 Ų | 61.6 | 10% | 0.104 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.5 | -46.2 | 175 | -67.8 | 0 | 0 | 0 | 0 | 111.1 | Y122 I123 A139 R144 K145 W146 | Y122-T142 HydrophobicContact CE1-CG2 4.21Å; Y122-T142 PolarHBondContact OH-OG1 3.33Å; I123-T142 HydrophobicContact CD1-CG2 4.15Å; A139-T142 WeakPolarHBondContact O-CB 3.49Å; A139-T142 PolarHBondContact O-N 3.23Å; T142-R144 PolarHBondContact O-N 3.44Å; T142-K145 WeakPolarHBondContact O-CB 3.44Å; T142-K145 PolarHBondContact O-N 3.29Å; T142-K145 VanDerWaalsContact O-N 3.12Å; T142-W146 HydrophobicContact CG2-CD2 3.75Å; T142-W146 HydrophobicContact CG2-CE3 4.24Å; T142-W146 HydrophobicContact CG2-CG 4.08Å; T142-W146 HydrophobicContact CG2-CH2 4.47Å; T142-W146 HydrophobicContact CG2-CZ2 4Å; T142-W146 PolarHBondContact O-N 3.32Å |
| 143 | Q | 98.7 | Very high | 98.4 | Very high | 38 Ų | 38 | 65.3 Ų | 65.3 | 18% | 0.178 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -51.8 | -53.1 | 178.9 | 176.8 | 172.9 | 16.4 | 0 | 0 | 111.8 | I123 W132 A134 A139 K145 W146 E147 | I123-Q143 HydrophobicContact CD1-CB 3.86Å; W132-Q143 HydrophobicContact CB-CG 4.16Å; W132-Q143 PolarHBondContact O-NE2 3.14Å; W132-Q143 VanDerWaalsContact O-NE2 3.16Å; A134-Q143 HydrophobicContact CB-CB 4.38Å; A139-Q143 PolarHBondContact O-N 3.45Å; Q143-K145 VanDerWaalsContact C-N 3.29Å; Q143-K145 PolarHBondContact O-N 3.11Å; Q143-W146 PolarHBondContact O-N 3.5Å; Q143-W146 VanDerWaalsContact O-N 3.11Å; Q143-E147 HydrophobicContact CG-CG 4.3Å; Q143-E147 WeakPolarHBondContact CG-OE1 2.98Å; Q143-E147 PolarHBondContact NE2-OE1 3.37Å; Q143-E147 WeakPolarHBondContact O-CB 3.4Å; Q143-E147 WeakPolarHBondContact O-CG 3.29Å; Q143-E147 PolarHBondContact O-N 3.32Å |
| 144 | R | 98.6 | Very high | 98.3 | Very high | 156 Ų | 156 | 67.8 Ų | 67.8 | 59% | 0.589 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -59.6 | -38.8 | -179.5 | -68.6 | 170.6 | -168 | 155.7 | 8 | 112.6 | Q140 T142 A148 | Q140-R144 WeakPolarHBondContact O-CG 3.49Å; Q140-R144 PolarHBondContact O-N 3.08Å; Q140-R144 VanDerWaalsContact O-N 3.13Å; T142-R144 PolarHBondContact O-N 3.44Å; R144-A148 WeakPolarHBondContact O-CB 3.38Å; R144-A148 PolarHBondContact O-N 2.83Å |
| 145 | K | 98 | Very high | 98.3 | Very high | 115 Ų | 115 | 67.8 Ų | 67.8 | 50% | 0.5 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -66.2 | -43.6 | 176.4 | -71.6 | 177.7 | 175.5 | -174.2 | 0 | 111.5 | Y83 I141 T142 Q143 A148 A149 | Y83-K145 PolarHBondContact OH-NZ 3.37Å; I141-K145 WeakPolarHBondContact O-CG 3.37Å; I141-K145 PolarHBondContact O-N 3.06Å; T142-K145 WeakPolarHBondContact O-CB 3.44Å; T142-K145 PolarHBondContact O-N 3.29Å; T142-K145 VanDerWaalsContact O-N 3.12Å; Q143-K145 VanDerWaalsContact C-N 3.29Å; Q143-K145 PolarHBondContact O-N 3.11Å; K145-A148 PolarHBondContact O-N 3.33Å; K145-A149 WeakPolarHBondContact O-CB 3.46Å; K145-A149 PolarHBondContact O-N 2.86Å |
| 146 | W | 98.4 | Very high | 98.3 | Very high | 60 Ų | 60 | 69.2 Ų | 69.2 | 23% | 0.227 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -70.2 | -37.4 | -178.6 | -77.3 | 10.9 | 0 | 0 | 0 | 112.5 | L115 I123 W132 T142 Q143 A149 R150 V151 | L115-W146 HydrophobicContact CD1-CH2 3.84Å; L115-W146 HydrophobicContact CD1-CZ3 4.32Å; L115-W146 HydrophobicContact CD2-CH2 3.84Å; L115-W146 HydrophobicContact CD2-CZ2 4.4Å; I123-W146 HydrophobicContact CD1-CE3 4.18Å; I123-W146 HydrophobicContact CD1-CZ3 4.49Å; I123-W146 HydrophobicContact CG2-CH2 4.22Å; I123-W146 HydrophobicContact CG2-CZ3 3.86Å; W132-W146 AromaticContact CD2-CE3 3.93Å; W132-W146 HydrophobicContact CD2-CE3 3.93Å; W132-W146 HydrophobicContact CD2-CZ3 4.42Å; W132-W146 AromaticContact CE2-CE3 3.72Å; W132-W146 AromaticContact CE3-CE3 3.87Å; W132-W146 HydrophobicContact CE3-CE3 3.87Å; W132-W146 AromaticContact CE3-CZ3 3.9Å; W132-W146 HydrophobicContact CE3-CZ3 3.9Å; W132-W146 AromaticContact CH2-CE3 3.45Å; W132-W146 HydrophobicContact CH2-CE3 3.45Å; W132-W146 VanDerWaalsContact CH2-CE3 3.45Å; W132-W146 HydrophobicContact CH2-CH2 4.46Å; W132-W146 AromaticContact CH2-CZ3 3.33Å; W132-W146 HydrophobicContact CH2-CZ3 3.33Å; W132-W146 HydrophobicContact CZ2-CD2 4.46Å; W132-W146 AromaticContact CZ2-CE3 3.48Å; W132-W146 HydrophobicContact CZ2-CE3 3.48Å; W132-W146 VanDerWaalsContact CZ2-CE3 3.48Å; W132-W146 AromaticContact CZ2-CZ3 3.9Å; W132-W146 HydrophobicContact CZ2-CZ3 3.9Å; W132-W146 AromaticContact CZ3-CE3 3.65Å; W132-W146 HydrophobicContact CZ3-CE3 3.65Å; W132-W146 AromaticContact CZ3-CZ3 3.34Å; W132-W146 HydrophobicContact CZ3-CZ3 3.34Å; T142-W146 HydrophobicContact CG2-CD2 3.75Å; T142-W146 HydrophobicContact CG2-CE3 4.24Å; T142-W146 HydrophobicContact CG2-CG 4.08Å; T142-W146 HydrophobicContact CG2-CH2 4.47Å; T142-W146 HydrophobicContact CG2-CZ2 4Å; T142-W146 PolarHBondContact O-N 3.32Å; Q143-W146 PolarHBondContact O-N 3.5Å; Q143-W146 VanDerWaalsContact O-N 3.11Å; W146-A149 CarbonylContact O-C 3.54Å; W146-A149 PolarHBondContact O-N 3.14Å; W146-R150 PolarHBondContact O-N 2.85Å; W146-V151 HydrophobicContact CB-CB 3.95Å; W146-V151 HydrophobicContact CB-CG2 3.9Å; W146-V151 HydrophobicContact CD2-CB 4.38Å; W146-V151 HydrophobicContact CD2-CG1 4.17Å; W146-V151 HydrophobicContact CD2-CG2 4.46Å; W146-V151 HydrophobicContact CE3-CG1 4.38Å; W146-V151 HydrophobicContact CG-CB 4.05Å; W146-V151 HydrophobicContact CG-CG1 4.34Å; W146-V151 HydrophobicContact CG-CG2 3.82Å; W146-V151 PolarHBondContact O-N 3.19Å |
| 147 | E | 98.6 | Very high | 98.3 | Very high | 94 Ų | 94 | 69.7 Ų | 69.7 | 44% | 0.439 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.7 | -47.6 | 172.1 | -72.7 | 169.3 | 174.2 | 0 | 0 | 111.1 | Q143 A149 R150 | Q143-E147 HydrophobicContact CG-CG 4.3Å; Q143-E147 WeakPolarHBondContact CG-OE1 2.98Å; Q143-E147 PolarHBondContact NE2-OE1 3.37Å; Q143-E147 WeakPolarHBondContact O-CB 3.4Å; Q143-E147 WeakPolarHBondContact O-CG 3.29Å; Q143-E147 PolarHBondContact O-N 3.32Å; E147-A149 VanDerWaalsContact C-N 3.27Å; E147-A149 PolarHBondContact O-N 3.14Å; E147-R150 PolarHBondContact O-N 3.13Å; E147-R150 VanDerWaalsContact O-N 3.1Å |
| 148 | A | 98.4 | Very high | 98.3 | Very high | 88 Ų | 88 | 67.4 Ų | 67.4 | 73% | 0.727 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -61.2 | -35.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | R144 K145 | R144-A148 WeakPolarHBondContact O-CB 3.38Å; R144-A148 PolarHBondContact O-N 2.83Å; K145-A148 PolarHBondContact O-N 3.33Å |
| 149 | A | 98.2 | Very high | 98.3 | Very high | 59 Ų | 59 | 67.2 Ų | 67.2 | 49% | 0.488 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 2.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | K145 W146 E147 V151 | K145-A149 WeakPolarHBondContact O-CB 3.46Å; K145-A149 PolarHBondContact O-N 2.86Å; W146-A149 CarbonylContact O-C 3.54Å; W146-A149 PolarHBondContact O-N 3.14Å; E147-A149 VanDerWaalsContact C-N 3.27Å; E147-A149 PolarHBondContact O-N 3.14Å; A149-V151 VanDerWaalsContact C-N 3.27Å; A149-V151 HydrophobicContact CB-CG2 4.08Å; A149-V151 PolarHBondContact O-N 3.1Å |
| 150 | R | 98 | Very high | 98.3 | Very high | 156 Ų | 156 | 72.3 Ų | 72.3 | 59% | 0.589 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 39.9 | -178.9 | -60.5 | 173.5 | 171.3 | -128.6 | 7.6 | 113.8 | W146 E147 A152 E153 | W146-R150 PolarHBondContact O-N 2.85Å; E147-R150 PolarHBondContact O-N 3.13Å; E147-R150 VanDerWaalsContact O-N 3.1Å; R150-A152 PolarHBondContact O-N 3.15Å; R150-E153 HydrophobicContact CB-CG 4.2Å; R150-E153 WeakPolarHBondContact CD-OE1 3.24Å; R150-E153 IonicContact CZ-OE1 3.67Å; R150-E153 IonicContact NE-OE1 3.93Å; R150-E153 IonicContact NH1-OE1 2.86Å; R150-E153 PolarHBondContact NH1-OE1 2.82Å; R150-E153 IonicContact NH1-OE2 3.74Å; R150-E153 WeakPolarHBondContact O-CB 3.26Å; R150-E153 PolarHBondContact O-N 3.15Å; R150-E153 VanDerWaalsContact O-N 3.1Å |
| 151 | V | 98.3 | Very high | 98.3 | Very high | 27 Ų | 27 | 69.8 Ų | 69.8 | 16% | 0.164 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.2 | -35.1 | -177.5 | 176.6 | 0 | 0 | 0 | 0 | 111.8 | W132 W146 A149 E153 Q154 D155 | W132-V151 HydrophobicContact CZ2-CB 4.43Å; W132-V151 HydrophobicContact CZ2-CG1 4.12Å; W146-V151 HydrophobicContact CB-CB 3.95Å; W146-V151 HydrophobicContact CB-CG2 3.9Å; W146-V151 HydrophobicContact CD2-CB 4.38Å; W146-V151 HydrophobicContact CD2-CG1 4.17Å; W146-V151 HydrophobicContact CD2-CG2 4.46Å; W146-V151 HydrophobicContact CE3-CG1 4.38Å; W146-V151 HydrophobicContact CG-CB 4.05Å; W146-V151 HydrophobicContact CG-CG1 4.34Å; W146-V151 HydrophobicContact CG-CG2 3.82Å; W146-V151 PolarHBondContact O-N 3.19Å; A149-V151 VanDerWaalsContact C-N 3.27Å; A149-V151 HydrophobicContact CB-CG2 4.08Å; A149-V151 PolarHBondContact O-N 3.1Å; V151-E153 PolarHBondContact O-N 3.49Å; V151-Q154 WeakPolarHBondContact O-CB 3.4Å; V151-Q154 PolarHBondContact O-N 3.38Å; V151-D155 PolarHBondContact O-N 3.13Å; V151-D155 VanDerWaalsContact O-N 3.08Å |
| 152 | A | 98.5 | Very high | 98.3 | Very high | 7 Ų | 7 | 71.8 Ų | 71.8 | 6% | 0.058 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -59.2 | -33.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L125 W132 R150 Q154 D155 R156 | L125-A152 HydrophobicContact CD1-CB 3.91Å; W132-A152 HydrophobicContact CZ2-CB 4.24Å; R150-A152 PolarHBondContact O-N 3.15Å; A152-Q154 VanDerWaalsContact C-N 3.3Å; A152-Q154 PolarHBondContact O-N 3.37Å; A152-D155 PolarHBondContact O-N 3.04Å; A152-R156 VanDerWaalsContact O-CB 3.26Å; A152-R156 WeakPolarHBondContact O-CB 3.45Å; A152-R156 PolarHBondContact O-N 3.33Å |
| 153 | E | 98.3 | Very high | 98.3 | Very high | 88 Ų | 88 | 71 Ų | 71 | 41% | 0.411 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65.9 | -35.6 | 177.7 | -62.8 | 178.8 | -161.8 | 0 | 0 | 111.6 | R150 V151 A157 | R150-E153 HydrophobicContact CB-CG 4.2Å; R150-E153 WeakPolarHBondContact CD-OE1 3.24Å; R150-E153 IonicContact CZ-OE1 3.67Å; R150-E153 IonicContact NE-OE1 3.93Å; R150-E153 IonicContact NH1-OE1 2.86Å; R150-E153 PolarHBondContact NH1-OE1 2.82Å; R150-E153 IonicContact NH1-OE2 3.74Å; R150-E153 WeakPolarHBondContact O-CB 3.26Å; R150-E153 PolarHBondContact O-N 3.15Å; R150-E153 VanDerWaalsContact O-N 3.1Å; V151-E153 PolarHBondContact O-N 3.49Å; E153-A157 WeakPolarHBondContact O-CB 3.46Å; E153-A157 PolarHBondContact O-N 2.61Å |
| 154 | Q | 97.4 | Very high | 98.3 | Very high | 131 Ų | 131 | 69.6 Ų | 69.6 | 61% | 0.612 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -71.7 | -45.3 | 177.6 | -58.6 | 176.2 | 34.1 | 0 | 0 | 111.2 | V151 A152 R156 A157 Y158 | V151-Q154 WeakPolarHBondContact O-CB 3.4Å; V151-Q154 PolarHBondContact O-N 3.38Å; A152-Q154 VanDerWaalsContact C-N 3.3Å; A152-Q154 PolarHBondContact O-N 3.37Å; Q154-R156 VanDerWaalsContact C-N 3.35Å; Q154-A157 PolarHBondContact O-N 3.06Å; Q154-Y158 PolarHBondContact O-N 3.05Å; Q154-Y158 VanDerWaalsContact O-N 3.14Å |
| 155 | D | 97.9 | Very high | 98.2 | Very high | 22 Ų | 22 | 67.8 Ų | 67.8 | 12% | 0.118 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.8 | -43 | 176.4 | -74.5 | -33.2 | 0 | 0 | 0 | 111.1 | R96 N113 L125 W132 V151 A152 A157 Y158 L159 | R96-D155 IonicContact NH2-OD1 3.98Å; R96-D155 PolarHBondContact NH2-OD1 2.86Å; N113-D155 PolarHBondContact ND2-OD1 3.25Å; N113-D155 PolarHBondContact ND2-OD2 3.22Å; L125-D155 HydrophobicContact CD2-CB 4.05Å; W132-D155 VanDerWaalsContact CH2-OD2 3.26Å; W132-D155 WeakPolarHBondContact CH2-OD2 3.26Å; V151-D155 PolarHBondContact O-N 3.13Å; V151-D155 VanDerWaalsContact O-N 3.08Å; A152-D155 PolarHBondContact O-N 3.04Å; D155-A157 PolarHBondContact O-N 3.3Å; D155-Y158 PolarHBondContact O-N 3.42Å; D155-L159 WeakPolarHBondContact O-CB 3.44Å; D155-L159 WeakPolarHBondContact O-CG 3.38Å; D155-L159 PolarHBondContact O-N 3.42Å |
| 156 | R | 98.4 | Very high | 98.2 | Very high | 89 Ų | 89 | 63.8 Ų | 63.8 | 34% | 0.336 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -58.7 | -45.8 | 174.7 | -176.5 | 178.2 | 62.4 | -166.3 | -3.9 | 111.8 | L129 A152 Q154 Y158 L159 E160 | L129-R156 HydrophobicContact CB-CB 4.07Å; L129-R156 HydrophobicContact CB-CG 3.93Å; L129-R156 HydrophobicContact CD1-CG 4.18Å; A152-R156 VanDerWaalsContact O-CB 3.26Å; A152-R156 WeakPolarHBondContact O-CB 3.45Å; A152-R156 PolarHBondContact O-N 3.33Å; Q154-R156 VanDerWaalsContact C-N 3.35Å; R156-Y158 VanDerWaalsContact C-N 3.27Å; R156-Y158 PolarHBondContact O-N 2.62Å; R156-L159 PolarHBondContact O-N 2.89Å; R156-L159 VanDerWaalsContact O-N 3.17Å; R156-E160 HydrophobicContact CG-CG 4.02Å; R156-E160 WeakPolarHBondContact CG-OE1 3.26Å; R156-E160 WeakPolarHBondContact O-CB 3.41Å; R156-E160 PolarHBondContact O-N 3.16Å |
| 157 | A | 98.5 | Very high | 98.2 | Very high | 64 Ų | 64 | 60.9 Ų | 60.9 | 53% | 0.529 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -59.2 | -38.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | E153 Q154 D155 G161 | E153-A157 WeakPolarHBondContact O-CB 3.46Å; E153-A157 PolarHBondContact O-N 2.61Å; Q154-A157 PolarHBondContact O-N 3.06Å; D155-A157 PolarHBondContact O-N 3.3Å; A157-G161 PolarHBondContact O-N 3.25Å; A157-G161 VanDerWaalsContact O-N 3.16Å |
| 158 | Y | 98.2 | Very high | 98.2 | Very high | 63 Ų | 63 | 62.4 Ų | 62.4 | 25% | 0.247 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -67.7 | -48.1 | 173 | 170.1 | -97.4 | 0 | 0 | 0 | 112.3 | F98 Q154 D155 R156 G161 L162 C163 | F98-Y158 AromaticContact CD2-CE1 3.79Å; F98-Y158 HydrophobicContact CD2-CE1 3.79Å; F98-Y158 AromaticContact CE2-CE1 3.88Å; F98-Y158 HydrophobicContact CE2-CE1 3.88Å; Q154-Y158 PolarHBondContact O-N 3.05Å; Q154-Y158 VanDerWaalsContact O-N 3.14Å; D155-Y158 PolarHBondContact O-N 3.42Å; R156-Y158 VanDerWaalsContact C-N 3.27Å; R156-Y158 PolarHBondContact O-N 2.62Å; Y158-G161 CarbonylContact O-C 3.55Å; Y158-G161 PolarHBondContact O-N 3.01Å; Y158-L162 HydrophobicContact CD2-CB 3.93Å; Y158-L162 HydrophobicContact CD2-CD1 4.43Å; Y158-L162 HydrophobicContact CE2-CB 4.13Å; Y158-L162 PolarHBondContact O-N 3.32Å; Y158-C163 HydrophobicContact CD1-CB 4.22Å; Y158-C163 HydrophobicContact CE1-CB 3.76Å; Y158-C163 WeakPolarHBondContact O-CB 3.41Å; Y158-C163 PolarHBondContact O-N 2.88Å |
| 159 | L | 98.6 | Very high | 98.1 | Very high | 2 Ų | 2 | 64.4 Ų | 64.4 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -67 | -38.3 | -174 | -70.2 | 168.8 | 0 | 0 | 0 | 112.8 | G99 L125 L129 D155 R156 V164 | G99-L159 WeakPolarHBondContact O-CD2 3.48Å; L125-L159 HydrophobicContact CD2-CD1 3.85Å; L129-L159 HydrophobicContact CD2-CD1 3.93Å; D155-L159 WeakPolarHBondContact O-CB 3.44Å; D155-L159 WeakPolarHBondContact O-CG 3.38Å; D155-L159 PolarHBondContact O-N 3.42Å; R156-L159 PolarHBondContact O-N 2.89Å; R156-L159 VanDerWaalsContact O-N 3.17Å; L159-V164 WeakPolarHBondContact O-CG2 3.35Å |
| 160 | E | 98.3 | Very high | 98 | Very high | 108 Ų | 108 | 61.8 Ų | 61.8 | 51% | 0.505 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -82.7 | -23.7 | 177.6 | -67.6 | 179.2 | 167.9 | 0 | 0 | 113.3 | L108 L129 R156 | L108-E160 HydrophobicContact CD2-CB 4.44Å; L108-E160 HydrophobicContact CD2-CG 3.69Å; L129-E160 HydrophobicContact CD1-CG 4.31Å; R156-E160 HydrophobicContact CG-CG 4.02Å; R156-E160 WeakPolarHBondContact CG-OE1 3.26Å; R156-E160 WeakPolarHBondContact O-CB 3.41Å; R156-E160 PolarHBondContact O-N 3.16Å |
| 161 | G | 98.2 | Very high | 97.9 | Very high | 21 Ų | 21 | 55 Ų | 55 | 22% | 0.216 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | -98.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | A157 Y158 C163 V164 E165 | A157-G161 PolarHBondContact O-N 3.25Å; A157-G161 VanDerWaalsContact O-N 3.16Å; Y158-G161 CarbonylContact O-C 3.55Å; Y158-G161 PolarHBondContact O-N 3.01Å; G161-C163 VanDerWaalsContact C-N 3.25Å; G161-C163 PolarHBondContact O-N 3.35Å; G161-C163 VanDerWaalsContact O-N 3.13Å; G161-V164 PolarHBondContact O-N 3.29Å; G161-E165 WeakPolarHBondContact O-CG 3.41Å; G161-E165 PolarHBondContact O-N 3.24Å |
| 162 | L | 97.7 | Very high | 97.8 | Very high | 102 Ų | 102 | 59.5 Ų | 59.5 | 53% | 0.534 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -55.1 | -36.8 | -169.5 | -70.2 | 175.4 | 0 | 0 | 0 | 113.5 | Y158 E165 S166 | Y158-L162 HydrophobicContact CD2-CB 3.93Å; Y158-L162 HydrophobicContact CD2-CD1 4.43Å; Y158-L162 HydrophobicContact CE2-CB 4.13Å; Y158-L162 PolarHBondContact O-N 3.32Å; L162-E165 PolarHBondContact O-N 3.32Å; L162-S166 VanDerWaalsContact O-CB 3.25Å; L162-S166 WeakPolarHBondContact O-CB 3.44Å; L162-S166 PolarHBondContact O-N 3.06Å; L162-S166 PolarHBondContact O-OG 2.92Å; L162-S166 VanDerWaalsContact O-OG 3.07Å |
| 163 | C | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.4 | -48.7 | 177.8 | -169.6 | 0 | 0 | 0 | 0 | 111.6 | M4 C100 Y158 G161 L167 | M4-C163 HydrophobicContact CE-CB 4.16Å; M4-C163 VanDerWaalsContact CE-O 3.28Å; M4-C163 WeakPolarHBondContact CE-O 3.38Å; M4-C163 WeakPolarHBondContact CE-SG 3.49Å; C100-C163 HydrophobicContact CB-CB 3.94Å; C100-C163 WeakPolarHBondContact CB-SG 3.49Å; C100-C163 PolarHBondContact N-SG 2.87Å; C100-C163 WeakPolarHBondContact SG-CB 3.49Å; C100-C163 PolarHBondContact SG-O 2.88Å; C100-C163 CovalentContact SG-SG 2.04Å; C100-C163 PolarHBondContact SG-SG 3.11Å; Y158-C163 HydrophobicContact CD1-CB 4.22Å; Y158-C163 HydrophobicContact CE1-CB 3.76Å; Y158-C163 WeakPolarHBondContact O-CB 3.41Å; Y158-C163 PolarHBondContact O-N 2.88Å; G161-C163 VanDerWaalsContact C-N 3.25Å; G161-C163 PolarHBondContact O-N 3.35Å; G161-C163 VanDerWaalsContact O-N 3.13Å; C163-L167 WeakPolarHBondContact O-CB 3.21Å; C163-L167 PolarHBondContact O-N 3.47Å |
| 164 | V | 98.4 | Very high | 97.4 | Very high | 9 Ų | 9 | 57.1 Ų | 57.1 | 6% | 0.055 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.1 | -43.2 | 179.1 | 173.4 | 0 | 0 | 0 | 0 | 110.9 | L102 L108 L159 G161 R168 | L102-V164 HydrophobicContact CD1-CG1 4.42Å; L102-V164 HydrophobicContact CD2-CB 4.17Å; L102-V164 HydrophobicContact CD2-CG1 3.83Å; L102-V164 HydrophobicContact CD2-CG2 3.73Å; L108-V164 HydrophobicContact CB-CG2 4Å; L108-V164 HydrophobicContact CD1-CG2 3.98Å; L108-V164 HydrophobicContact CG-CG2 4.49Å; L159-V164 WeakPolarHBondContact O-CG2 3.35Å; G161-V164 PolarHBondContact O-N 3.29Å; V164-R168 WeakPolarHBondContact O-CG 3.36Å; V164-R168 PolarHBondContact O-N 2.85Å |
| 165 | E | 98.2 | Very high | 97.1 | Very high | 119 Ų | 119 | 55.8 Ų | 55.8 | 56% | 0.556 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -62.5 | -47.7 | 178.2 | -69.5 | 174.9 | -177.1 | 0 | 0 | 112 | G161 L162 R168 R169 | G161-E165 WeakPolarHBondContact O-CG 3.41Å; G161-E165 PolarHBondContact O-N 3.24Å; L162-E165 PolarHBondContact O-N 3.32Å; E165-R168 PolarHBondContact O-N 3.14Å; E165-R169 WeakPolarHBondContact O-CB 3.5Å; E165-R169 PolarHBondContact O-N 3.33Å |
| 166 | S | 97.7 | Very high | 96.6 | Very high | 30 Ų | 30 | 62 Ų | 62 | 21% | 0.21 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.5 | -46.1 | 177.1 | -69.5 | 0 | 0 | 0 | 0 | 111.8 | L162 R168 R169 Y170 | L162-S166 VanDerWaalsContact O-CB 3.25Å; L162-S166 WeakPolarHBondContact O-CB 3.44Å; L162-S166 PolarHBondContact O-N 3.06Å; L162-S166 PolarHBondContact O-OG 2.92Å; L162-S166 VanDerWaalsContact O-OG 3.07Å; S166-R168 PolarHBondContact O-N 3.14Å; S166-R169 WeakPolarHBondContact O-CB 3.25Å; S166-R169 PolarHBondContact O-N 2.99Å; S166-Y170 VanDerWaalsContact O-CD2 3.23Å; S166-Y170 WeakPolarHBondContact O-CD2 3.48Å; S166-Y170 PolarHBondContact O-N 2.74Å |
| 167 | L | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.7 | -43 | 179.1 | 176.5 | 50.9 | 0 | 0 | 0 | 111.7 | H2 M4 V27 L102 C163 R169 Y170 L171 | H2-L167 HydrophobicContact CB-CD1 4.37Å; M4-L167 HydrophobicContact CB-CB 4.09Å; M4-L167 HydrophobicContact CB-CD1 4.08Å; M4-L167 HydrophobicContact CB-CD2 4Å; M4-L167 HydrophobicContact CB-CG 4.28Å; M4-L167 HydrophobicContact CE-CB 4.47Å; M4-L167 HydrophobicContact SD-CB 4.48Å; V27-L167 HydrophobicContact CG1-CD1 3.65Å; V27-L167 HydrophobicContact CG2-CD1 4.28Å; L102-L167 HydrophobicContact CB-CD2 4.46Å; L102-L167 HydrophobicContact CD1-CB 4.22Å; L102-L167 HydrophobicContact CD1-CD2 3.7Å; L102-L167 HydrophobicContact CD1-CG 3.79Å; L102-L167 HydrophobicContact CG-CD2 3.6Å; L102-L167 HydrophobicContact CG-CG 4.28Å; C163-L167 WeakPolarHBondContact O-CB 3.21Å; C163-L167 PolarHBondContact O-N 3.47Å; L167-R169 PolarHBondContact O-N 3.02Å; L167-Y170 PolarHBondContact O-N 2.9Å; L167-L171 HydrophobicContact CD1-CD1 3.81Å; L167-L171 HydrophobicContact CD1-CD2 4.43Å; L167-L171 HydrophobicContact CD1-CG 3.85Å; L167-L171 HydrophobicContact CG-CD1 3.99Å; L167-L171 HydrophobicContact CG-CG 4.49Å; L167-L171 WeakPolarHBondContact O-CB 3.46Å; L167-L171 VanDerWaalsContact O-CG 3.23Å; L167-L171 WeakPolarHBondContact O-CG 3.45Å; L167-L171 PolarHBondContact O-N 2.93Å |
| 168 | R | 97.2 | Very high | 95.4 | Very high | 126 Ų | 126 | 59.7 Ų | 59.7 | 48% | 0.475 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.2 | -44.7 | 174.3 | -73 | 174.4 | -179.1 | 171.9 | 0.5 | 112.2 | L102 G106 V164 E165 S166 L171 E172 | L102-R168 HydrophobicContact CD1-CG 4.01Å; G106-R168 VanDerWaalsContact O-CZ 3.32Å; G106-R168 PolarHBondContact O-NE 3.39Å; G106-R168 VanDerWaalsContact O-NE 3.09Å; G106-R168 PolarHBondContact O-NH2 3.38Å; V164-R168 WeakPolarHBondContact O-CG 3.36Å; V164-R168 PolarHBondContact O-N 2.85Å; E165-R168 PolarHBondContact O-N 3.14Å; S166-R168 PolarHBondContact O-N 3.14Å; R168-L171 PolarHBondContact O-N 2.92Å; R168-E172 PolarHBondContact O-N 3.06Å; R168-E172 VanDerWaalsContact O-N 3.12Å |
| 169 | R | 96.6 | Very high | 94.6 | Very high | 130 Ų | 130 | 60.7 Ų | 60.7 | 49% | 0.491 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -59.6 | -46.5 | 176.5 | 176.2 | -178.7 | 175.5 | 123.4 | -1.6 | 111.4 | E54 E165 S166 L167 E172 N173 | E54-R169 IonicContact OE1-CZ 2.91Å; E54-R169 VanDerWaalsContact OE1-CZ 3.3Å; E54-R169 IonicContact OE1-NE 3.92Å; E54-R169 PolarHBondContact OE1-NE 2.9Å; E54-R169 IonicContact OE1-NH2 3.52Å; E54-R169 PolarHBondContact OE1-NH2 3.11Å; E54-R169 VanDerWaalsContact OE1-NH2 3.08Å; E54-R169 IonicContact OE2-CZ 3.54Å; E54-R169 IonicContact OE2-NE 3.59Å; E54-R169 IonicContact OE2-NH2 2.79Å; E54-R169 PolarHBondContact OE2-NH2 3.2Å; E165-R169 WeakPolarHBondContact O-CB 3.5Å; E165-R169 PolarHBondContact O-N 3.33Å; S166-R169 WeakPolarHBondContact O-CB 3.25Å; S166-R169 PolarHBondContact O-N 2.99Å; L167-R169 PolarHBondContact O-N 3.02Å; R169-E172 PolarHBondContact O-N 3.25Å; R169-N173 PolarHBondContact O-N 3.28Å; R169-N173 PolarHBondContact O-OD1 2.97Å |
| 170 | Y | 96.9 | Very high | 93.3 | Very high | 4 Ų | 4 | 69.8 Ų | 69.8 | 2% | 0.016 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -68.9 | -35.6 | -178.6 | -60.4 | -26 | 0 | 0 | 0 | 113 | M4 V27 F32 W50 I51 Y58 S166 L167 E172 N173 G174 | M4-Y170 HydrophobicContact SD-CD2 3.82Å; M4-Y170 HydrophobicContact SD-CE2 3.72Å; V27-Y170 HydrophobicContact CG2-CD2 4Å; V27-Y170 HydrophobicContact CG2-CG 4.48Å; F32-Y170 HydrophobicContact CE2-CD2 4.18Å; F32-Y170 AromaticContact CE2-CE2 3.74Å; F32-Y170 HydrophobicContact CE2-CE2 3.74Å; F32-Y170 HydrophobicContact CZ-CD2 4.23Å; F32-Y170 AromaticContact CZ-CE2 3.87Å; F32-Y170 HydrophobicContact CZ-CE2 3.87Å; W50-Y170 HydrophobicContact CH2-CG 4.25Å; W50-Y170 AromaticContact CZ3-CD1 3.88Å; W50-Y170 HydrophobicContact CZ3-CD1 3.88Å; W50-Y170 HydrophobicContact CZ3-CD2 4.38Å; W50-Y170 AromaticContact CZ3-CG 3.69Å; W50-Y170 HydrophobicContact CZ3-CG 3.69Å; I51-Y170 HydrophobicContact CD1-CD1 3.73Å; I51-Y170 HydrophobicContact CD1-CE1 3.35Å; Y58-Y170 WeakPolarHBondContact CE2-OH 3.42Å; Y58-Y170 PolarHBondContact OH-OH 3.03Å; S166-Y170 VanDerWaalsContact O-CD2 3.23Å; S166-Y170 WeakPolarHBondContact O-CD2 3.48Å; S166-Y170 PolarHBondContact O-N 2.74Å; L167-Y170 PolarHBondContact O-N 2.9Å; Y170-E172 VanDerWaalsContact C-N 3.31Å; Y170-E172 PolarHBondContact O-N 3.1Å; Y170-N173 PolarHBondContact O-N 3.12Å; Y170-G174 PolarHBondContact O-N 3.42Å |
| 171 | L | 96.4 | Very high | 91.1 | Very high | 13 Ų | 13 | 72.9 Ų | 72.9 | 7% | 0.068 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64.3 | -35.3 | 172.9 | -73.3 | 169 | 0 | 0 | 0 | 112.6 | H2 V27 L167 R168 K175 L178 Q179 | H2-L171 HydrophobicContact CB-CD1 3.65Å; H2-L171 HydrophobicContact CB-CD2 4.02Å; H2-L171 HydrophobicContact CB-CG 4.4Å; H2-L171 WeakPolarHBondContact ND1-CD2 3.48Å; V27-L171 HydrophobicContact CG1-CD2 4.11Å; L167-L171 HydrophobicContact CD1-CD1 3.81Å; L167-L171 HydrophobicContact CD1-CD2 4.43Å; L167-L171 HydrophobicContact CD1-CG 3.85Å; L167-L171 HydrophobicContact CG-CD1 3.99Å; L167-L171 HydrophobicContact CG-CG 4.49Å; L167-L171 WeakPolarHBondContact O-CB 3.46Å; L167-L171 VanDerWaalsContact O-CG 3.23Å; L167-L171 WeakPolarHBondContact O-CG 3.45Å; L167-L171 PolarHBondContact O-N 2.93Å; R168-L171 PolarHBondContact O-N 2.92Å; L171-K175 VanDerWaalsContact O-CA 3.23Å; L171-K175 WeakPolarHBondContact O-CA 3.42Å; L171-K175 WeakPolarHBondContact O-CB 3.45Å; L171-K175 PolarHBondContact O-N 3.39Å; L171-K175 VanDerWaalsContact O-N 3.08Å; L171-L178 HydrophobicContact CD2-CB 4.32Å; L171-L178 HydrophobicContact CD2-CD1 4.33Å; L171-Q179 PolarHBondContact O-NE2 2.84Å |
| 172 | E | 95.4 | Very high | 90.8 | Very high | 121 Ų | 121 | 75.5 Ų | 75.5 | 57% | 0.565 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -72.5 | -47.4 | 174.5 | -171.4 | 59.5 | -154.6 | 0 | 0 | 111.2 | R168 R169 Y170 G174 K175 | R168-E172 PolarHBondContact O-N 3.06Å; R168-E172 VanDerWaalsContact O-N 3.12Å; R169-E172 PolarHBondContact O-N 3.25Å; Y170-E172 VanDerWaalsContact C-N 3.31Å; Y170-E172 PolarHBondContact O-N 3.1Å; E172-G174 VanDerWaalsContact C-N 3.3Å; E172-G174 PolarHBondContact O-N 3.26Å; E172-K175 WeakPolarHBondContact O-CB 3.33Å; E172-K175 PolarHBondContact O-N 2.72Å |
| 173 | N | 94.4 | Very high | 90.4 | Very high | 44 Ų | 44 | 74.1 Ų | 74.1 | 24% | 0.235 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -59.4 | -42.2 | 178 | -63.2 | -7.2 | 0 | 0 | 0 | 111.9 | W50 Q53 R169 Y170 | W50-N173 HydrophobicContact CB-CB 4.39Å; Q53-N173 PolarHBondContact NE2-ND2 3.08Å; Q53-N173 VanDerWaalsContact NE2-ND2 3.13Å; Q53-N173 PolarHBondContact NE2-OD1 3.24Å; R169-N173 PolarHBondContact O-N 3.28Å; R169-N173 PolarHBondContact O-OD1 2.97Å; Y170-N173 PolarHBondContact O-N 3.12Å |
| 174 | G | 93.6 | Very high | 90 | Very high | 2 Ų | 2 | 78.2 Ų | 78.2 | 2% | 0.021 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | 12.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y170 E172 E176 T177 L178 | Y170-G174 PolarHBondContact O-N 3.42Å; E172-G174 VanDerWaalsContact C-N 3.3Å; E172-G174 PolarHBondContact O-N 3.26Å; G174-E176 PolarHBondContact O-N 3.13Å; G174-E176 VanDerWaalsContact O-N 3.1Å; G174-T177 WeakPolarHBondContact O-CA 3.34Å; G174-T177 PolarHBondContact O-N 3.07Å; G174-T177 PolarHBondContact O-OG1 3.33Å; G174-L178 PolarHBondContact O-N 3.1Å |
| 175 | K | 91.9 | Very high | 89.5 | Confident | 103 Ų | 103 | 82.3 Ų | 82.3 | 45% | 0.448 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -49.7 | -41.9 | -170.6 | -175.9 | 174.7 | -173.8 | 173.1 | 0 | 113.8 | L171 E172 T177 Q179 | L171-K175 VanDerWaalsContact O-CA 3.23Å; L171-K175 WeakPolarHBondContact O-CA 3.42Å; L171-K175 WeakPolarHBondContact O-CB 3.45Å; L171-K175 PolarHBondContact O-N 3.39Å; L171-K175 VanDerWaalsContact O-N 3.08Å; E172-K175 WeakPolarHBondContact O-CB 3.33Å; E172-K175 PolarHBondContact O-N 2.72Å; K175-T177 PolarHBondContact O-N 3.36Å; K175-Q179 WeakPolarHBondContact O-CB 3.45Å; K175-Q179 PolarHBondContact O-N 3.36Å |
| 176 | E | 87.3 | Confident | 88.9 | Confident | 153 Ų | 153 | 80 Ų | 80 | 72% | 0.715 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -66.3 | -17.4 | 179.3 | -64.8 | -170 | 172.3 | 0 | 0 | 114 | G174 R180 | G174-E176 PolarHBondContact O-N 3.13Å; G174-E176 VanDerWaalsContact O-N 3.1Å; E176-R180 VanDerWaalsContact O-CD 3.31Å; E176-R180 WeakPolarHBondContact O-CD 3.34Å; E176-R180 VanDerWaalsContact O-CG 3.29Å; E176-R180 WeakPolarHBondContact O-CG 3.32Å; E176-R180 PolarHBondContact O-NE 2.99Å; E176-R180 PolarHBondContact O-NH2 3.47Å |
| 177 | T | 86.3 | Confident | 88.4 | Confident | 85 Ų | 85 | 83.3 Ų | 83.3 | 52% | 0.521 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -114 | -42.5 | -177.8 | 55.3 | 0 | 0 | 0 | 0 | 112.8 | G174 K175 | G174-T177 WeakPolarHBondContact O-CA 3.34Å; G174-T177 PolarHBondContact O-N 3.07Å; G174-T177 PolarHBondContact O-OG1 3.33Å; K175-T177 PolarHBondContact O-N 3.36Å |
| 178 | L | 85.4 | Confident | 87.7 | Confident | 18 Ų | 18 | 89.3 Ų | 89.3 | 9% | 0.094 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -83.2 | -22.7 | -173.8 | -62.5 | 172.8 | 0 | 0 | 0 | 113.4 | V27 T30 W50 L171 G174 | V27-L178 HydrophobicContact CB-CD1 4.39Å; V27-L178 HydrophobicContact CG1-CD1 3.84Å; V27-L178 HydrophobicContact CG1-CD2 4.32Å; T30-L178 HydrophobicContact CG2-CD2 4.22Å; W50-L178 HydrophobicContact CZ2-CD1 3.93Å; W50-L178 HydrophobicContact CZ2-CD2 4.34Å; L171-L178 HydrophobicContact CD2-CB 4.32Å; L171-L178 HydrophobicContact CD2-CD1 4.33Å; G174-L178 PolarHBondContact O-N 3.1Å |
| 179 | Q | 81.1 | Confident | 86.9 | Confident | 84 Ų | 84 | 86.5 Ų | 86.5 | 39% | 0.393 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.9 | 18.4 | -177.1 | -58.3 | -179 | 14.5 | 0 | 0 | 112.8 | L171 K175 A181 | L171-Q179 PolarHBondContact O-NE2 2.84Å; K175-Q179 WeakPolarHBondContact O-CB 3.45Å; K175-Q179 PolarHBondContact O-N 3.36Å; Q179-A181 PolarHBondContact O-N 2.86Å |
| 180 | R | 72.6 | Confident | 86.1 | Confident | 193 Ų | 193 | 82.8 Ų | 82.8 | 73% | 0.728 | 44% | 0.437 | S | S | * | . | trans | -75.2 | 108.4 | 168.2 | -71.9 | -170.5 | -176.9 | -174.2 | 6.9 | 108.5 | E176 | E176-R180 VanDerWaalsContact O-CD 3.31Å; E176-R180 WeakPolarHBondContact O-CD 3.34Å; E176-R180 VanDerWaalsContact O-CG 3.29Å; E176-R180 WeakPolarHBondContact O-CG 3.32Å; E176-R180 PolarHBondContact O-NE 2.99Å; E176-R180 PolarHBondContact O-NH2 3.47Å | ||
| 181 | A | 52.3 | Low | 85.1 | Confident | 174 Ų | 174 | 90 Ų | 90 | 100% | 1.438 | 48% | 0.475 | S | S | * | . | trans | -71.6 | 0 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q179 | Q179-A181 PolarHBondContact O-N 2.86Š|
Retrieved 181 of 181 residues in 671.1 ms
(Link to these results)