| 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 | M | 77.4 | Confident | 95.9 | Very high | 118 Ų | 118 | 23.2 Ų | 23.2 | 58% | 0.581 | 13% | 0.129 | S | C | * | . | 0 | 141.5 | 0 | -65.3 | 173.8 | -64.4 | 0 | 0 | 106.7 | E66 F90 | M1-E66 HydrophobicContact CE-CB 3.7Å; M1-E66 HydrophobicContact CE-CG 4.2Å; M1-E66 HydrophobicContact SD-CB 3.58Å; M1-E66 VanDerWaalsContact SD-CB 3.58Å; M1-E66 HydrophobicContact SD-CG 3.38Å; M1-E66 WeakPolarHBondContact SD-CG 3.44Å; M1-E66 VanDerWaalsContact SD-OE2 3.39Å; M1-F90 WeakPolarHBondContact O-CD2 3.29Å; M1-F90 VanDerWaalsContact O-CE2 3.25Å; M1-F90 WeakPolarHBondContact O-CE2 3.32Å | |||
| 2 | P | 92.4 | Very high | 96 | Very high | 53 Ų | 53 | 25.3 Ų | 25.3 | 34% | 0.344 | 14% | 0.139 | S | C | . | . | trans | -67.2 | 149.3 | 179 | 30.8 | -34 | 0 | 0 | 0 | 110 | T4 E67 | P2-T4 HydrophobicContact CB-CG2 4Å; P2-T4 HydrophobicContact CG-CG2 3.99Å; P2-E67 WeakPolarHBondContact CD-OE1 3.49Å; P2-E67 HydrophobicContact CG-CG 4.39Å; P2-E67 VanDerWaalsContact CG-OE1 3.29Å; P2-E67 WeakPolarHBondContact CG-OE1 3.31Å; P2-E67 WeakPolarHBondContact O-CB 3.48Å; P2-E67 WeakPolarHBondContact O-CG 3.43Å | ||
| 3 | L | 96.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | trans | -88.1 | 107.2 | 167.5 | 172.7 | 56.9 | 0 | 0 | 0 | 108.6 | K5 M36 V69 F90 L180 R181 A184 | L3-K5 WeakPolarHBondContact CD1-O 3.38Å; L3-M36 HydrophobicContact CD1-CE 4.14Å; L3-M36 HydrophobicContact CD2-CE 4Å; L3-M36 HydrophobicContact CD2-SD 4.49Å; L3-M36 HydrophobicContact CG-CE 3.78Å; L3-M36 HydrophobicContact CG-SD 4.41Å; L3-V69 HydrophobicContact CD1-CB 3.79Å; L3-V69 HydrophobicContact CD1-CG1 3.78Å; L3-V69 HydrophobicContact CD2-CG1 4.39Å; L3-F90 HydrophobicContact CB-CD1 3.9Å; L3-F90 HydrophobicContact CB-CD2 4.02Å; L3-F90 HydrophobicContact CB-CE1 3.82Å; L3-F90 HydrophobicContact CB-CE2 3.94Å; L3-F90 HydrophobicContact CB-CG 4.02Å; L3-F90 HydrophobicContact CB-CZ 3.87Å; L3-F90 HydrophobicContact CD1-CB 4.29Å; L3-F90 HydrophobicContact CD1-CD1 3.74Å; L3-F90 HydrophobicContact CD1-CE1 4.37Å; L3-F90 HydrophobicContact CD1-CG 3.99Å; L3-F90 HydrophobicContact CD2-CD1 3.98Å; L3-F90 HydrophobicContact CD2-CE1 3.82Å; L3-F90 HydrophobicContact CG-CD1 4.07Å; L3-F90 HydrophobicContact CG-CE1 4.21Å; L3-F90 HydrophobicContact CG-CG 4.48Å; L3-L180 HydrophobicContact CD2-CB 3.97Å; L3-R181 HydrophobicContact CD2-CB 4.15Å; L3-R181 WeakPolarHBondContact O-CD 3.38Å; L3-R181 PolarHBondContact O-NE 2.74Å; L3-R181 VanDerWaalsContact O-NE 3.08Å; L3-A184 HydrophobicContact CB-CB 3.94Å | ||
| 4 | T | 97.4 | Very high | 94.9 | Very high | 42 Ų | 42 | 26.8 Ų | 26.8 | 26% | 0.258 | 17% | 0.17 | S | C | . | . | trans | -116.5 | -19.1 | -176.2 | 62.2 | 0 | 0 | 0 | 0 | 112.8 | P2 M36 T37 E67 | P2-T4 HydrophobicContact CB-CG2 4Å; P2-T4 HydrophobicContact CG-CG2 3.99Å; T4-M36 VanDerWaalsContact O-CA 3.31Å; T4-M36 WeakPolarHBondContact O-CA 3.27Å; T4-T37 PolarHBondContact O-N 3.2Å; T4-E67 VanDerWaalsContact CG2-OE2 3.29Å; T4-E67 WeakPolarHBondContact CG2-OE2 3.37Å; T4-E67 PolarHBondContact N-O 3.01Å; T4-E67 WeakPolarHBondContact OG1-CB 3.32Å; T4-E67 PolarHBondContact OG1-OE2 2.97Å | ||
| 5 | K | 98.4 | Very high | 94.5 | Very high | 32 Ų | 32 | 28.4 Ų | 28.4 | 14% | 0.139 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 141.5 | -174.9 | -166.2 | -176.5 | -61.7 | 151.8 | 0 | 111.8 | L3 I7 T37 L39 Q63 D65 E67 T68 V69 | L3-K5 WeakPolarHBondContact CD1-O 3.38Å; K5-I7 HydrophobicContact CD-CG2 4.23Å; K5-I7 HydrophobicContact CG-CG2 4.34Å; K5-T37 CarbonylContact C-O 3.36Å; K5-T37 WeakPolarHBondContact CA-O 3.4Å; K5-L39 HydrophobicContact CD-CD1 4.23Å; K5-Q63 PolarHBondContact NZ-O 2.99Å; K5-D65 IonicContact NZ-OD1 3.15Å; K5-D65 IonicContact NZ-OD2 3.07Å; K5-D65 PolarHBondContact NZ-OD2 2.87Å; K5-E67 PolarHBondContact N-O 3.21Å; K5-T68 HydrophobicContact CB-CG2 4.39Å; K5-T68 HydrophobicContact CD-CG2 4.33Å; K5-T68 HydrophobicContact CG-CG2 4.34Å; K5-T68 CarbonylContact O-C 3.54Å; K5-T68 WeakPolarHBondContact O-CA 3.26Å; K5-V69 PolarHBondContact O-N 2.94Å |
| 6 | A | 98.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 141.2 | 162.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | I30 M36 T37 C38 L39 V69 I71 | A6-I30 HydrophobicContact CB-CD1 4.26Å; A6-I30 HydrophobicContact CB-CG2 3.96Å; A6-M36 HydrophobicContact CB-CE 4.38Å; A6-T37 PolarHBondContact N-O 3.5Å; A6-C38 HydrophobicContact CB-CB 4.49Å; A6-C38 CarbonylContact O-C 3.57Å; A6-C38 VanDerWaalsContact O-CA 3.27Å; A6-C38 WeakPolarHBondContact O-CA 3.38Å; A6-L39 PolarHBondContact O-N 3.13Å; A6-V69 WeakPolarHBondContact CA-O 3.45Å; A6-V69 HydrophobicContact CB-CG1 3.62Å; A6-I71 HydrophobicContact CB-CD1 4.3Å |
| 7 | I | 98.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 135.6 | 168.3 | 68.2 | 174.1 | 0 | 0 | 0 | 108.5 | K5 V9 L39 I58 L62 C64 T68 V69 I70 I71 | K5-I7 HydrophobicContact CD-CG2 4.23Å; K5-I7 HydrophobicContact CG-CG2 4.34Å; I7-V9 HydrophobicContact CD1-CG2 4.37Å; I7-V9 HydrophobicContact CG1-CG2 4.48Å; I7-L39 HydrophobicContact CG2-CB 4.16Å; I7-L39 HydrophobicContact CG2-CD1 4.46Å; I7-I58 HydrophobicContact CD1-CG2 3.79Å; I7-L62 HydrophobicContact CB-CD1 4.47Å; I7-L62 HydrophobicContact CD1-CB 4.33Å; I7-L62 HydrophobicContact CD1-CD1 4.34Å; I7-L62 HydrophobicContact CG2-CB 4.19Å; I7-C64 HydrophobicContact CD1-CB 3.88Å; I7-T68 HydrophobicContact CB-CG2 4.4Å; I7-T68 HydrophobicContact CD1-CG2 4.27Å; I7-T68 HydrophobicContact CG1-CG2 3.96Å; I7-T68 HydrophobicContact CG2-CG2 3.78Å; I7-V69 PolarHBondContact N-O 2.63Å; I7-I70 HydrophobicContact CD1-CB 4.39Å; I7-I70 HydrophobicContact CD1-CD1 4.25Å; I7-I70 HydrophobicContact CD1-CG1 3.87Å; I7-I70 HydrophobicContact CD1-CG2 4.08Å; I7-I70 HydrophobicContact CG1-CB 4.11Å; I7-I70 HydrophobicContact CG1-CG1 3.98Å; I7-I70 HydrophobicContact CG1-CG2 3.91Å; I7-I71 PolarHBondContact O-N 3.44Å |
| 8 | I | 98.9 | Very high | 95 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 118.6 | 174.3 | -62.4 | 168.5 | 0 | 0 | 0 | 108 | W22 Y23 A26 K27 L39 L40 I71 | I8-W22 HydrophobicContact CD1-CZ3 4.41Å; I8-W22 HydrophobicContact CG2-CH2 4.33Å; I8-W22 HydrophobicContact CG2-CZ3 4.09Å; I8-Y23 HydrophobicContact CG2-CD1 3.85Å; I8-Y23 HydrophobicContact CG2-CG 4.2Å; I8-A26 HydrophobicContact CD1-CB 4.03Å; I8-K27 HydrophobicContact CD1-CB 4.24Å; I8-L39 PolarHBondContact N-O 3.15Å; I8-L40 HydrophobicContact CB-CD1 3.83Å; I8-L40 HydrophobicContact CG2-CD1 3.82Å; I8-I71 WeakPolarHBondContact CA-O 3.47Å; I8-I71 HydrophobicContact CG1-CB 4.25Å; I8-I71 HydrophobicContact CG1-CD1 4.25Å |
| 9 | V | 98.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 111 | 174.3 | -170.8 | 0 | 0 | 0 | 0 | 107.7 | I7 M43 W54 I58 I70 I71 G72 H73 A79 | I7-V9 HydrophobicContact CD1-CG2 4.37Å; I7-V9 HydrophobicContact CG1-CG2 4.48Å; V9-M43 HydrophobicContact CG1-CE 4.07Å; V9-M43 HydrophobicContact CG1-SD 4.38Å; V9-W54 HydrophobicContact CG1-CE3 3.87Å; V9-W54 HydrophobicContact CG1-CZ3 3.81Å; V9-I58 HydrophobicContact CG1-CD1 4.31Å; V9-I58 HydrophobicContact CG2-CD1 4.09Å; V9-I58 HydrophobicContact CG2-CG1 4.12Å; V9-I70 HydrophobicContact CG2-CG2 3.84Å; V9-I71 PolarHBondContact N-O 3.36Å; V9-G72 WeakPolarHBondContact O-CA 3.35Å; V9-H73 PolarHBondContact O-N 2.78Å; V9-A79 HydrophobicContact CG1-CB 4.39Å |
| 10 | P | 98.8 | Very high | 95.2 | Very high | 3 Ų | 3 | 40.4 Ų | 40.4 | 2% | 0.019 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -73.3 | 170.1 | -173.8 | 35.8 | -40.7 | 0 | 0 | 0 | 111.7 | A14 V17 Y23 M43 W54 H73 G76 | P10-A14 HydrophobicContact CB-CB 4.25Å; P10-V17 HydrophobicContact CB-CG1 4.03Å; P10-V17 HydrophobicContact CG-CG1 3.76Å; P10-Y23 HydrophobicContact CB-CD2 4.08Å; P10-Y23 HydrophobicContact CB-CE1 4.35Å; P10-Y23 HydrophobicContact CB-CE2 3.5Å; P10-Y23 VanDerWaalsContact CB-CE2 3.5Å; P10-M43 HydrophobicContact CG-CG 3.69Å; P10-W54 WeakPolarHBondContact O-CH2 3.43Å; P10-W54 VanDerWaalsContact O-CZ3 3.31Å; P10-W54 WeakPolarHBondContact O-CZ3 3.26Å; P10-H73 CarbonylContact C-O 3.43Å; P10-G76 VanDerWaalsContact O-CA 3.31Å; P10-G76 WeakPolarHBondContact O-CA 3.29Å; P10-G76 PolarHBondContact O-N 3.47Å |
| 11 | G | 98.2 | Very high | 95.3 | Very high | 7 Ų | 7 | 40.3 Ų | 40.3 | 7% | 0.072 | 23% | 0.229 | C | C | . | . | P | Polyproline II helix | trans | -66.8 | 161 | 159.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | A14 Y23 H73 | G11-A14 WeakPolarHBondContact O-CB 3.47Å; G11-Y23 PolarHBondContact N-OH 2.95Å; G11-Y23 VanDerWaalsContact N-OH 3.08Å; G11-H73 WeakPolarHBondContact CA-O 3.38Å; G11-H73 PolarHBondContact N-O 3.4Å |
| 12 | N | 97.1 | Very high | 96.3 | Very high | 48 Ų | 48 | 34.8 Ų | 34.8 | 26% | 0.257 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | 163 | 173.3 | 72.4 | 25.3 | 0 | 0 | 0 | 111.7 | A14 P46 V47 A49 S75 E107 | N12-A14 PolarHBondContact O-N 3.37Å; N12-P46 CarbonylContact C-O 3.45Å; N12-P46 VanDerWaalsContact CA-O 3.28Å; N12-P46 WeakPolarHBondContact CA-O 3.25Å; N12-P46 WeakPolarHBondContact CB-O 3.4Å; N12-V47 WeakPolarHBondContact CB-O 3.48Å; N12-A49 HydrophobicContact CB-CB 3.9Å; N12-S75 PolarHBondContact N-OG 3.5Å; N12-S75 PolarHBondContact ND2-OG 3.21Å; N12-S75 VanDerWaalsContact ND2-OG 3.12Å; N12-E107 PolarHBondContact ND2-OE1 3.39Å |
| 13 | G | 94.3 | Very high | 96.7 | Very high | 53 Ų | 53 | 32.3 Ų | 32.3 | 55% | 0.546 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.9 | 4.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | G15 P46 | G13-G15 PolarHBondContact O-N 3.31Å; G13-P46 PolarHBondContact N-O 3.07Å |
| 14 | A | 83.1 | Confident | 96.8 | Very high | 19 Ų | 19 | 32.4 Ų | 32.4 | 16% | 0.157 | 19% | 0.187 | C | C | . | . | trans | -68.5 | -6.3 | -170.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | P10 G11 N12 D16 V17 S20 Y23 | P10-A14 HydrophobicContact CB-CB 4.25Å; G11-A14 WeakPolarHBondContact O-CB 3.47Å; N12-A14 PolarHBondContact O-N 3.37Å; A14-D16 PolarHBondContact O-N 2.99Å; A14-V17 HydrophobicContact CB-CG1 4.49Å; A14-S20 WeakPolarHBondContact O-CB 3.11Å; A14-S20 PolarHBondContact O-OG 3.13Å; A14-Y23 HydrophobicContact CB-CE2 4.06Å | ||
| 15 | G | 88.9 | Confident | 96.8 | Very high | 51 Ų | 51 | 33 Ų | 33 | 53% | 0.526 | 18% | 0.184 | S | C | . | . | S | Bend | trans | 62.9 | -130.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | G13 V17 N42 | G13-G15 PolarHBondContact O-N 3.31Å; G15-V17 PolarHBondContact O-N 3.5Å; G15-N42 PolarHBondContact O-OD1 2.83Å; G15-N42 VanDerWaalsContact O-OD1 3.1Å |
| 16 | D | 96.2 | Very high | 96.8 | Very high | 67 Ų | 67 | 31.5 Ų | 31.5 | 36% | 0.358 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -75.4 | 101.8 | 174.5 | 178.5 | 6.7 | 0 | 0 | 0 | 110.5 | A14 E18 R19 S20 | A14-D16 PolarHBondContact O-N 2.99Å; D16-E18 PolarHBondContact O-N 3.11Å; D16-E18 VanDerWaalsContact O-N 3.13Å; D16-E18 PolarHBondContact OD1-N 2.98Å; D16-R19 PolarHBondContact O-N 3.41Å; D16-R19 VanDerWaalsContact OD2-CD 3.31Å; D16-R19 WeakPolarHBondContact OD2-CD 3.5Å; D16-R19 WeakPolarHBondContact OD2-CG 3.36Å; D16-R19 IonicContact OD2-NE 3.86Å; D16-R19 PolarHBondContact OD2-NE 3.31Å; D16-S20 PolarHBondContact O-N 3.48Å; D16-S20 PolarHBondContact O-OG 3.16Å; D16-S20 VanDerWaalsContact O-OG 3.14Å |
| 17 | V | 97.6 | Very high | 96.8 | Very high | 4 Ų | 4 | 33.7 Ų | 33.7 | 2% | 0.024 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -62.3 | -25.2 | -172.2 | -58.5 | 0 | 0 | 0 | 0 | 113.3 | P10 A14 G15 R19 S20 Y23 L40 N42 | P10-V17 HydrophobicContact CB-CG1 4.03Å; P10-V17 HydrophobicContact CG-CG1 3.76Å; A14-V17 HydrophobicContact CB-CG1 4.49Å; G15-V17 PolarHBondContact O-N 3.5Å; V17-R19 PolarHBondContact O-N 2.96Å; V17-S20 PolarHBondContact O-N 3.37Å; V17-Y23 HydrophobicContact CB-CD2 4.27Å; V17-Y23 WeakPolarHBondContact O-CB 3.4Å; V17-L40 HydrophobicContact CB-CD1 3.93Å; V17-L40 HydrophobicContact CB-CG 4.38Å; V17-L40 HydrophobicContact CG2-CD1 3.58Å; V17-L40 HydrophobicContact CG2-CD2 4.19Å; V17-L40 HydrophobicContact CG2-CG 3.63Å; V17-N42 WeakPolarHBondContact CG1-OD1 3.42Å; V17-N42 WeakPolarHBondContact CG2-OD1 3.49Å; V17-N42 PolarHBondContact N-OD1 3.46Å |
| 18 | E | 97.9 | Very high | 96.8 | Very high | 72 Ų | 72 | 40 Ų | 40 | 34% | 0.336 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -68.3 | -18.7 | 176.3 | -74.6 | -79.2 | -170.4 | 0 | 0 | 112.5 | D16 K27 L40 | D16-E18 PolarHBondContact O-N 3.11Å; D16-E18 VanDerWaalsContact O-N 3.13Å; D16-E18 PolarHBondContact OD1-N 2.98Å; E18-K27 VanDerWaalsContact OE1-CD 3.32Å; E18-K27 WeakPolarHBondContact OE1-CD 3.46Å; E18-K27 IonicContact OE1-NZ 3.48Å; E18-K27 PolarHBondContact OE1-NZ 3.29Å; E18-L40 HydrophobicContact CG-CD2 4.4Å |
| 19 | R | 97.4 | Very high | 96.8 | Very high | 213 Ų | 213 | 42.1 Ų | 42.1 | 80% | 0.804 | 23% | 0.225 | S | C | * | . | G | 310 helix | trans | -113.8 | 1.6 | -177.7 | -60.1 | -176.8 | -177.1 | -164.5 | -1.9 | 113.4 | D16 V17 | D16-R19 PolarHBondContact O-N 3.41Å; D16-R19 VanDerWaalsContact OD2-CD 3.31Å; D16-R19 WeakPolarHBondContact OD2-CD 3.5Å; D16-R19 WeakPolarHBondContact OD2-CG 3.36Å; D16-R19 IonicContact OD2-NE 3.86Å; D16-R19 PolarHBondContact OD2-NE 3.31Å; V17-R19 PolarHBondContact O-N 2.96Å |
| 20 | S | 97.4 | Very high | 96.8 | Very high | 26 Ų | 26 | 42.1 Ų | 42.1 | 18% | 0.182 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -106.4 | 138.7 | -174.9 | -66.9 | 0 | 0 | 0 | 0 | 112.1 | A14 D16 V17 W22 Y23 | A14-S20 WeakPolarHBondContact O-CB 3.11Å; A14-S20 PolarHBondContact O-OG 3.13Å; D16-S20 PolarHBondContact O-N 3.48Å; D16-S20 PolarHBondContact O-OG 3.16Å; D16-S20 VanDerWaalsContact O-OG 3.14Å; V17-S20 PolarHBondContact O-N 3.37Å; S20-W22 PolarHBondContact O-N 3.47Å; S20-Y23 WeakPolarHBondContact O-CD2 3.32Å; S20-Y23 PolarHBondContact O-N 3.37Å |
| 21 | N | 97.8 | Very high | 96.8 | Very high | 39 Ų | 39 | 45.4 Ų | 45.4 | 21% | 0.209 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 43.9 | -135.1 | -179 | -54.7 | -28.1 | 0 | 0 | 0 | 110.5 | Y23 N167 T168 | N21-Y23 HydrophobicContact CB-CD2 4.47Å; N21-Y23 HydrophobicContact CB-CE1 4.24Å; N21-Y23 HydrophobicContact CB-CE2 4.18Å; N21-Y23 PolarHBondContact ND2-OH 3.04Å; N21-N167 CarbonylContact C-O 3.48Å; N21-N167 WeakPolarHBondContact CA-O 3.43Å; N21-T168 VanDerWaalsContact O-CA 3.32Å; N21-T168 WeakPolarHBondContact O-CA 3.43Å |
| 22 | W | 98.6 | Very high | 96.8 | Very high | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.008 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -1.6 | 179.8 | 48.6 | -96.4 | 0 | 0 | 0 | 113.4 | I8 S20 G24 W25 A26 I71 H73 V95 F165 N167 F170 L173 | I8-W22 HydrophobicContact CD1-CZ3 4.41Å; I8-W22 HydrophobicContact CG2-CH2 4.33Å; I8-W22 HydrophobicContact CG2-CZ3 4.09Å; S20-W22 PolarHBondContact O-N 3.47Å; W22-G24 PolarHBondContact O-N 2.88Å; W22-W25 PolarHBondContact O-N 3.19Å; W22-A26 HydrophobicContact CE3-CB 3.62Å; W22-A26 HydrophobicContact CZ3-CB 4.04Å; W22-A26 WeakPolarHBondContact O-CB 3.32Å; W22-A26 PolarHBondContact O-N 3.49Å; W22-I71 HydrophobicContact CH2-CG2 3.69Å; W22-I71 HydrophobicContact CZ3-CG2 4.1Å; W22-H73 HydrophobicContact CH2-CB 4.5Å; W22-H73 HydrophobicContact CZ2-CB 3.94Å; W22-V95 HydrophobicContact CH2-CG2 4.47Å; W22-V95 HydrophobicContact CZ2-CB 4.33Å; W22-V95 HydrophobicContact CZ2-CG1 4.42Å; W22-V95 HydrophobicContact CZ2-CG2 4.03Å; W22-F165 PolarHBondContact NE1-O 2.67Å; W22-F165 VanDerWaalsContact NE1-O 3.09Å; W22-N167 PolarHBondContact N-O 2.97Å; W22-F170 HydrophobicContact CB-CB 3.9Å; W22-F170 HydrophobicContact CD2-CB 4.3Å; W22-F170 HydrophobicContact CD2-CD1 4.1Å; W22-F170 AromaticContact CE2-CD1 3.91Å; W22-F170 HydrophobicContact CG-CB 3.86Å; W22-F170 HydrophobicContact CG-CD1 4.19Å; W22-F170 HydrophobicContact CZ2-CD1 4.42Å; W22-F170 AromaticContact NE1-CD1 3.9Å; W22-L173 HydrophobicContact CD2-CD2 4.21Å; W22-L173 HydrophobicContact CE3-CD2 3.51Å; W22-L173 HydrophobicContact CH2-CD2 3.74Å; W22-L173 HydrophobicContact CZ2-CD2 4.39Å; W22-L173 HydrophobicContact CZ3-CD2 3.25Å |
| 23 | Y | 98.8 | Very high | 96.8 | Very high | 1 Ų | 1 | 49.5 Ų | 49.5 | 0% | 0.004 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.1 | -54.6 | -164.2 | -47.3 | -44.6 | 0 | 0 | 0 | 112.6 | I8 P10 G11 A14 V17 S20 N21 W25 A26 K27 H73 | I8-Y23 HydrophobicContact CG2-CD1 3.85Å; I8-Y23 HydrophobicContact CG2-CG 4.2Å; P10-Y23 HydrophobicContact CB-CD2 4.08Å; P10-Y23 HydrophobicContact CB-CE1 4.35Å; P10-Y23 HydrophobicContact CB-CE2 3.5Å; P10-Y23 VanDerWaalsContact CB-CE2 3.5Å; G11-Y23 PolarHBondContact N-OH 2.95Å; G11-Y23 VanDerWaalsContact N-OH 3.08Å; A14-Y23 HydrophobicContact CB-CE2 4.06Å; V17-Y23 HydrophobicContact CB-CD2 4.27Å; V17-Y23 WeakPolarHBondContact O-CB 3.4Å; S20-Y23 WeakPolarHBondContact O-CD2 3.32Å; S20-Y23 PolarHBondContact O-N 3.37Å; N21-Y23 HydrophobicContact CB-CD2 4.47Å; N21-Y23 HydrophobicContact CB-CE1 4.24Å; N21-Y23 HydrophobicContact CB-CE2 4.18Å; N21-Y23 PolarHBondContact ND2-OH 3.04Å; Y23-W25 VanDerWaalsContact C-N 3.28Å; Y23-W25 PolarHBondContact O-N 3.39Å; Y23-A26 PolarHBondContact O-N 3.42Å; Y23-K27 WeakPolarHBondContact O-CB 3.33Å; Y23-K27 PolarHBondContact O-N 3.23Å; Y23-H73 HydrophobicContact CE1-CB 3.89Å; Y23-H73 AromaticContact CE1-ND1 3.74Å; Y23-H73 AromaticContact CZ-ND1 3.66Å; Y23-H73 PolarHBondContact OH-ND1 2.9Å |
| 24 | G | 98.7 | Very high | 96.9 | Very high | 2 Ų | 2 | 51.4 Ų | 51.4 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.7 | -32 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | W22 K28 | W22-G24 PolarHBondContact O-N 2.88Å; G24-K28 VanDerWaalsContact O-CG 3.31Å; G24-K28 WeakPolarHBondContact O-CG 3.38Å; G24-K28 PolarHBondContact O-N 3.02Å |
| 25 | W | 98.8 | Very high | 97.5 | Very high | 55 Ų | 55 | 57 Ų | 57 | 21% | 0.208 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67 | -46.1 | 172.7 | 176.5 | 94.7 | 0 | 0 | 0 | 111.2 | W22 Y23 K28 Q29 T168 Q169 F170 P171 I174 | W22-W25 PolarHBondContact O-N 3.19Å; Y23-W25 VanDerWaalsContact C-N 3.28Å; Y23-W25 PolarHBondContact O-N 3.39Å; W25-K28 WeakPolarHBondContact O-CB 3.31Å; W25-K28 PolarHBondContact O-N 3.24Å; W25-Q29 HydrophobicContact CD2-CG 4Å; W25-Q29 HydrophobicContact CE3-CG 4.19Å; W25-Q29 HydrophobicContact CH2-CG 3.77Å; W25-Q29 HydrophobicContact CZ2-CG 3.62Å; W25-Q29 HydrophobicContact CZ3-CG 4.06Å; W25-Q29 WeakPolarHBondContact O-CG 3.45Å; W25-Q29 PolarHBondContact O-N 3.08Å; W25-T168 WeakPolarHBondContact CB-O 3.31Å; W25-Q169 HydrophobicContact CD2-CB 4.05Å; W25-Q169 HydrophobicContact CD2-CG 4.11Å; W25-Q169 HydrophobicContact CE3-CB 4.39Å; W25-Q169 HydrophobicContact CG-CB 4.44Å; W25-Q169 HydrophobicContact CG-CG 4.03Å; W25-Q169 HydrophobicContact CZ2-CB 4.3Å; W25-F170 VanDerWaalsContact CZ3-C 3.47Å; W25-F170 VanDerWaalsContact CZ3-N 3.3Å; W25-F170 WeakPolarHBondContact CZ3-O 3.41Å; W25-P171 HydrophobicContact CH2-CG 4.31Å; W25-I174 HydrophobicContact CH2-CD1 4.45Å; W25-I174 HydrophobicContact CH2-CG1 3.58Å; W25-I174 HydrophobicContact CZ3-CD1 3.94Å; W25-I174 HydrophobicContact CZ3-CG1 3.5Å |
| 26 | A | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.6 | -43.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | I8 W22 Y23 K28 Q29 I30 L173 I174 | I8-A26 HydrophobicContact CD1-CB 4.03Å; W22-A26 HydrophobicContact CE3-CB 3.62Å; W22-A26 HydrophobicContact CZ3-CB 4.04Å; W22-A26 WeakPolarHBondContact O-CB 3.32Å; W22-A26 PolarHBondContact O-N 3.49Å; Y23-A26 PolarHBondContact O-N 3.42Å; A26-K28 VanDerWaalsContact C-N 3.26Å; A26-K28 PolarHBondContact O-N 2.95Å; A26-Q29 PolarHBondContact O-N 3.44Å; A26-I30 WeakPolarHBondContact O-CG1 3.42Å; A26-I30 PolarHBondContact O-N 3.3Å; A26-L173 HydrophobicContact CB-CD2 4.04Å; A26-I174 HydrophobicContact CB-CD1 4.09Å |
| 27 | K | 98.8 | Very high | 98 | Very high | 46 Ų | 46 | 55.5 Ų | 55.5 | 20% | 0.2 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -50.1 | -47.7 | 171.4 | -174.4 | -165.8 | -168.5 | 164.8 | 0 | 111.5 | I8 E18 Y23 Q29 N31 C38 L40 | I8-K27 HydrophobicContact CD1-CB 4.24Å; E18-K27 VanDerWaalsContact OE1-CD 3.32Å; E18-K27 WeakPolarHBondContact OE1-CD 3.46Å; E18-K27 IonicContact OE1-NZ 3.48Å; E18-K27 PolarHBondContact OE1-NZ 3.29Å; Y23-K27 WeakPolarHBondContact O-CB 3.33Å; Y23-K27 PolarHBondContact O-N 3.23Å; K27-Q29 PolarHBondContact O-N 3.32Å; K27-N31 WeakPolarHBondContact O-CB 3.44Å; K27-N31 PolarHBondContact O-N 2.99Å; K27-N31 PolarHBondContact O-ND2 3.07Å; K27-C38 WeakPolarHBondContact CE-O 3.33Å; K27-C38 HydrophobicContact CG-CB 4.04Å; K27-L40 HydrophobicContact CB-CB 4.48Å; K27-L40 HydrophobicContact CB-CD2 4.18Å; K27-L40 HydrophobicContact CD-CB 3.84Å; K27-L40 HydrophobicContact CD-CD2 4.14Å; K27-L40 HydrophobicContact CG-CB 4.27Å; K27-L40 PolarHBondContact NZ-O 3.08Å |
| 28 | K | 98.8 | Very high | 98 | Very high | 133 Ų | 133 | 55.4 Ų | 55.4 | 58% | 0.578 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -65.2 | -34.8 | 178.3 | -72.4 | 169.5 | -174 | 170 | 0 | 113 | G24 W25 A26 K32 | G24-K28 VanDerWaalsContact O-CG 3.31Å; G24-K28 WeakPolarHBondContact O-CG 3.38Å; G24-K28 PolarHBondContact O-N 3.02Å; W25-K28 WeakPolarHBondContact O-CB 3.31Å; W25-K28 PolarHBondContact O-N 3.24Å; A26-K28 VanDerWaalsContact C-N 3.26Å; A26-K28 PolarHBondContact O-N 2.95Å; K28-K32 WeakPolarHBondContact O-CG 3.38Å |
| 29 | Q | 98.8 | Very high | 98 | Very high | 44 Ų | 44 | 54.3 Ų | 54.3 | 21% | 0.206 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -77.1 | -38.9 | 178.2 | -59.6 | -48.7 | -32.4 | 0 | 0 | 112.4 | W25 A26 K27 K32 I174 | W25-Q29 HydrophobicContact CD2-CG 4Å; W25-Q29 HydrophobicContact CE3-CG 4.19Å; W25-Q29 HydrophobicContact CH2-CG 3.77Å; W25-Q29 HydrophobicContact CZ2-CG 3.62Å; W25-Q29 HydrophobicContact CZ3-CG 4.06Å; W25-Q29 WeakPolarHBondContact O-CG 3.45Å; W25-Q29 PolarHBondContact O-N 3.08Å; A26-Q29 PolarHBondContact O-N 3.44Å; K27-Q29 PolarHBondContact O-N 3.32Å; Q29-K32 WeakPolarHBondContact O-CB 3.42Å; Q29-K32 PolarHBondContact O-N 3.26Å; Q29-K32 VanDerWaalsContact O-N 3.16Å; Q29-I174 HydrophobicContact CB-CD1 3.71Å; Q29-I174 HydrophobicContact CB-CG1 3.85Å; Q29-I174 HydrophobicContact CB-CG2 4.15Å; Q29-I174 HydrophobicContact CG-CD1 4.42Å; Q29-I174 HydrophobicContact CG-CG1 4.24Å |
| 30 | I | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.1 | -41.5 | 178.8 | -64.1 | 165.6 | 0 | 0 | 0 | 110.3 | A6 A26 K32 I33 M36 C38 I71 I174 V177 | A6-I30 HydrophobicContact CB-CD1 4.26Å; A6-I30 HydrophobicContact CB-CG2 3.96Å; A26-I30 WeakPolarHBondContact O-CG1 3.42Å; A26-I30 PolarHBondContact O-N 3.3Å; I30-K32 PolarHBondContact O-N 3.21Å; I30-I33 HydrophobicContact CG2-CD1 4.49Å; I30-I33 VanDerWaalsContact O-CB 3.26Å; I30-I33 WeakPolarHBondContact O-CB 3.31Å; I30-I33 WeakPolarHBondContact O-CG1 3.32Å; I30-I33 PolarHBondContact O-N 3.25Å; I30-M36 HydrophobicContact CG2-CE 4.18Å; I30-C38 HydrophobicContact CB-CB 3.81Å; I30-C38 HydrophobicContact CG2-CB 3.72Å; I30-I71 HydrophobicContact CD1-CD1 3.56Å; I30-I174 HydrophobicContact CD1-CD1 4.47Å; I30-I174 HydrophobicContact CG1-CD1 3.95Å; I30-V177 HydrophobicContact CD1-CG2 4.25Å; I30-V177 HydrophobicContact CG1-CG1 4.37Å; I30-V177 HydrophobicContact CG1-CG2 4.43Å; I30-V177 HydrophobicContact CG2-CG1 4.43Å |
| 31 | N | 98.5 | Very high | 98.1 | Very high | 71 Ų | 71 | 45.8 Ų | 45.8 | 38% | 0.38 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -5.4 | 175.3 | -77.2 | -43.7 | 0 | 0 | 0 | 114.5 | K27 T37 C38 | K27-N31 WeakPolarHBondContact O-CB 3.44Å; K27-N31 PolarHBondContact O-N 2.99Å; K27-N31 PolarHBondContact O-ND2 3.07Å; N31-T37 WeakPolarHBondContact OD1-CA 3.31Å; N31-C38 PolarHBondContact OD1-N 3.47Å |
| 32 | K | 98.4 | Very high | 98.2 | Very high | 131 Ų | 131 | 48.1 Ų | 48.1 | 57% | 0.57 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -7.5 | 169.3 | -64.3 | 170 | -171.1 | 172.6 | 0 | 112.7 | K28 Q29 I30 | K28-K32 WeakPolarHBondContact O-CG 3.38Å; Q29-K32 WeakPolarHBondContact O-CB 3.42Å; Q29-K32 PolarHBondContact O-N 3.26Å; Q29-K32 VanDerWaalsContact O-N 3.16Å; I30-K32 PolarHBondContact O-N 3.21Å |
| 33 | I | 97.8 | Very high | 98.1 | Very high | 11 Ų | 11 | 48.5 Ų | 48.5 | 6% | 0.056 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -78.4 | 126.2 | 175.1 | -56.8 | 174.7 | 0 | 0 | 0 | 106.9 | I30 D35 M36 V177 R178 | I30-I33 HydrophobicContact CG2-CD1 4.49Å; I30-I33 VanDerWaalsContact O-CB 3.26Å; I30-I33 WeakPolarHBondContact O-CB 3.31Å; I30-I33 WeakPolarHBondContact O-CG1 3.32Å; I30-I33 PolarHBondContact O-N 3.25Å; I33-D35 PolarHBondContact O-N 2.88Å; I33-M36 HydrophobicContact CB-CB 4.16Å; I33-M36 HydrophobicContact CB-CG 4.31Å; I33-M36 HydrophobicContact CB-SD 4.14Å; I33-M36 HydrophobicContact CD1-SD 4.16Å; I33-M36 HydrophobicContact CG2-CB 4.33Å; I33-M36 HydrophobicContact CG2-CG 3.94Å; I33-M36 HydrophobicContact CG2-SD 3.7Å; I33-M36 PolarHBondContact O-N 3.18Å; I33-V177 HydrophobicContact CD1-CG1 3.78Å; I33-R178 HydrophobicContact CD1-CG 3.85Å; I33-R178 HydrophobicContact CG1-CG 4.39Å |
| 34 | P | 95.8 | Very high | 98.1 | Very high | 93 Ų | 93 | 50.5 Ų | 50.5 | 60% | 0.604 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | 139.7 | 178.1 | -26.5 | 35.1 | 0 | 0 | 0 | 112 | M36 | P34-M36 PolarHBondContact O-N 2.84Å; P34-M36 VanDerWaalsContact O-N 3.13Å |
| 35 | D | 94.6 | Very high | 98.1 | Very high | 135 Ų | 135 | 52.2 Ų | 52.2 | 72% | 0.722 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.5 | 22.7 | 176.4 | -46.9 | -47.3 | 0 | 0 | 0 | 114.7 | I33 | I33-D35 PolarHBondContact O-N 2.88Š|
| 36 | M | 97.2 | Very high | 98 | Very high | 10 Ų | 10 | 52.6 Ų | 52.6 | 5% | 0.049 | 28% | 0.282 | C | S | . | . | trans | -119.7 | 141.4 | 172.7 | -69.8 | -164.5 | 68.5 | 0 | 0 | 111.8 | L3 T4 A6 I30 I33 P34 V177 R181 | L3-M36 HydrophobicContact CD1-CE 4.14Å; L3-M36 HydrophobicContact CD2-CE 4Å; L3-M36 HydrophobicContact CD2-SD 4.49Å; L3-M36 HydrophobicContact CG-CE 3.78Å; L3-M36 HydrophobicContact CG-SD 4.41Å; T4-M36 VanDerWaalsContact O-CA 3.31Å; T4-M36 WeakPolarHBondContact O-CA 3.27Å; A6-M36 HydrophobicContact CB-CE 4.38Å; I30-M36 HydrophobicContact CG2-CE 4.18Å; I33-M36 HydrophobicContact CB-CB 4.16Å; I33-M36 HydrophobicContact CB-CG 4.31Å; I33-M36 HydrophobicContact CB-SD 4.14Å; I33-M36 HydrophobicContact CD1-SD 4.16Å; I33-M36 HydrophobicContact CG2-CB 4.33Å; I33-M36 HydrophobicContact CG2-CG 3.94Å; I33-M36 HydrophobicContact CG2-SD 3.7Å; I33-M36 PolarHBondContact O-N 3.18Å; P34-M36 PolarHBondContact O-N 2.84Å; P34-M36 VanDerWaalsContact O-N 3.13Å; M36-V177 HydrophobicContact CE-CG1 3.86Å; M36-V177 HydrophobicContact SD-CG1 4.13Å; M36-R181 HydrophobicContact SD-CB 4.07Å; M36-R181 HydrophobicContact SD-CG 3.97Å | ||
| 37 | T | 98.1 | Very high | 98 | Very high | 77 Ų | 77 | 56.9 Ų | 56.9 | 47% | 0.472 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 139.4 | 168.4 | -59.3 | 0 | 0 | 0 | 0 | 110.5 | T4 K5 A6 N31 L39 | T4-T37 PolarHBondContact O-N 3.2Å; K5-T37 CarbonylContact C-O 3.36Å; K5-T37 WeakPolarHBondContact CA-O 3.4Å; A6-T37 PolarHBondContact N-O 3.5Å; N31-T37 WeakPolarHBondContact OD1-CA 3.31Å; T37-L39 HydrophobicContact CG2-CD2 4.11Å |
| 38 | C | 98.7 | Very high | 97.9 | Very high | 2 Ų | 2 | 55.3 Ų | 55.3 | 1% | 0.014 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 118.7 | 172.7 | -167.1 | 0 | 0 | 0 | 0 | 111.4 | A6 K27 I30 N31 | A6-C38 HydrophobicContact CB-CB 4.49Å; A6-C38 CarbonylContact O-C 3.57Å; A6-C38 VanDerWaalsContact O-CA 3.27Å; A6-C38 WeakPolarHBondContact O-CA 3.38Å; K27-C38 WeakPolarHBondContact CE-O 3.33Å; K27-C38 HydrophobicContact CG-CB 4.04Å; I30-C38 HydrophobicContact CB-CB 3.81Å; I30-C38 HydrophobicContact CG2-CB 3.72Å; N31-C38 PolarHBondContact OD1-N 3.47Å |
| 39 | L | 98.6 | Very high | 97.9 | Very high | 49 Ų | 49 | 49 Ų | 49 | 26% | 0.257 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 142 | 171 | -53.9 | -177.8 | 0 | 0 | 0 | 110.6 | K5 A6 I7 I8 T37 L62 | K5-L39 HydrophobicContact CD-CD1 4.23Å; A6-L39 PolarHBondContact O-N 3.13Å; I7-L39 HydrophobicContact CG2-CB 4.16Å; I7-L39 HydrophobicContact CG2-CD1 4.46Å; I8-L39 PolarHBondContact N-O 3.15Å; T37-L39 HydrophobicContact CG2-CD2 4.11Å; L39-L62 HydrophobicContact CB-CD2 4.41Å; L39-L62 VanDerWaalsContact CD1-O 3.32Å; L39-L62 WeakPolarHBondContact CD1-O 3.38Å |
| 40 | L | 98.6 | Very high | 97.9 | Very high | 8 Ų | 8 | 50.7 Ų | 50.7 | 4% | 0.042 | 28% | 0.28 | C | S | . | . | trans | -156.9 | 120.8 | 178 | 172.1 | 66.8 | 0 | 0 | 0 | 106.4 | I8 V17 E18 K27 | I8-L40 HydrophobicContact CB-CD1 3.83Å; I8-L40 HydrophobicContact CG2-CD1 3.82Å; V17-L40 HydrophobicContact CB-CD1 3.93Å; V17-L40 HydrophobicContact CB-CG 4.38Å; V17-L40 HydrophobicContact CG2-CD1 3.58Å; V17-L40 HydrophobicContact CG2-CD2 4.19Å; V17-L40 HydrophobicContact CG2-CG 3.63Å; E18-L40 HydrophobicContact CG-CD2 4.4Å; K27-L40 HydrophobicContact CB-CB 4.48Å; K27-L40 HydrophobicContact CB-CD2 4.18Å; K27-L40 HydrophobicContact CD-CB 3.84Å; K27-L40 HydrophobicContact CD-CD2 4.14Å; K27-L40 HydrophobicContact CG-CB 4.27Å; K27-L40 PolarHBondContact NZ-O 3.08Å | ||
| 41 | S | 98.1 | Very high | 97.9 | Very high | 52 Ų | 52 | 52.4 Ų | 52.4 | 36% | 0.364 | 29% | 0.288 | S | S | . | . | trans | -138.5 | 153.4 | -179.1 | -63.8 | 0 | 0 | 0 | 0 | 109.5 | M43 | S41-M43 PolarHBondContact O-N 2.78Š| ||
| 42 | N | 98.3 | Very high | 97.9 | Very high | 89 Ų | 89 | 53.4 Ų | 53.4 | 48% | 0.476 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 128.8 | 168.5 | -68.1 | -38 | 0 | 0 | 0 | 108.7 | G15 V17 | G15-N42 PolarHBondContact O-OD1 2.83Å; G15-N42 VanDerWaalsContact O-OD1 3.1Å; V17-N42 WeakPolarHBondContact CG1-OD1 3.42Å; V17-N42 WeakPolarHBondContact CG2-OD1 3.49Å; V17-N42 PolarHBondContact N-OD1 3.46Å |
| 43 | M | 98.3 | Very high | 98 | Very high | 9 Ų | 9 | 50.2 Ų | 50.2 | 4% | 0.044 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -74.5 | 142 | 179 | -60.5 | -60.7 | -71.1 | 0 | 0 | 110.2 | V9 P10 S41 W54 F57 I58 L62 | V9-M43 HydrophobicContact CG1-CE 4.07Å; V9-M43 HydrophobicContact CG1-SD 4.38Å; P10-M43 HydrophobicContact CG-CG 3.69Å; S41-M43 PolarHBondContact O-N 2.78Å; M43-W54 HydrophobicContact CB-CD2 4.24Å; M43-W54 VanDerWaalsContact CB-CE2 3.5Å; M43-W54 HydrophobicContact CB-CH2 4.19Å; M43-W54 HydrophobicContact CB-CZ2 3.47Å; M43-W54 VanDerWaalsContact CB-CZ2 3.47Å; M43-W54 HydrophobicContact CE-CB 4.02Å; M43-W54 HydrophobicContact CE-CD2 3.57Å; M43-W54 HydrophobicContact CE-CE3 3.83Å; M43-W54 HydrophobicContact CE-CG 3.68Å; M43-W54 HydrophobicContact CG-CD2 4.31Å; M43-W54 HydrophobicContact CG-CE3 4.47Å; M43-W54 HydrophobicContact CG-CH2 3.98Å; M43-W54 HydrophobicContact CG-CZ2 3.78Å; M43-W54 HydrophobicContact CG-CZ3 4.32Å; M43-F57 HydrophobicContact CE-CD1 3.72Å; M43-F57 HydrophobicContact CE-CE1 4.37Å; M43-F57 HydrophobicContact SD-CD1 3.76Å; M43-F57 HydrophobicContact SD-CE1 3.79Å; M43-I58 HydrophobicContact CE-CG1 4.25Å; M43-L62 HydrophobicContact SD-CD1 4.36Å |
| 44 | P | 98.1 | Very high | 98 | Very high | 43 Ų | 43 | 49.7 Ų | 49.7 | 28% | 0.279 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -61.4 | 157.7 | 165.4 | 29.9 | -37.1 | 0 | 0 | 0 | 110.1 | P46 I53 W54 F57 | P44-P46 VanDerWaalsContact C-N 3.34Å; P44-I53 HydrophobicContact CB-CG2 3.76Å; P44-I53 HydrophobicContact CG-CG2 3.61Å; P44-W54 VanDerWaalsContact O-CD1 3.31Å; P44-W54 PolarHBondContact O-NE1 3.26Å; P44-F57 HydrophobicContact CG-CB 3.91Å; P44-F57 HydrophobicContact CG-CD1 4.46Å; P44-F57 HydrophobicContact CG-CD2 3.69Å; P44-F57 HydrophobicContact CG-CE2 4.32Å; P44-F57 HydrophobicContact CG-CG 3.77Å |
| 45 | D | 97.9 | Very high | 98.2 | Very high | 39 Ų | 39 | 46.4 Ų | 46.4 | 21% | 0.209 | 26% | 0.264 | C | S | . | . | S | Bend | trans | 45 | 53.8 | -176.9 | -172.2 | 27.7 | 0 | 0 | 0 | 113.1 | V47 A49 R50 I53 | D45-V47 PolarHBondContact O-N 2.81Å; D45-V47 VanDerWaalsContact O-N 3.07Å; D45-A49 WeakPolarHBondContact O-CA 3.48Å; D45-A49 PolarHBondContact O-N 3.35Å; D45-R50 VanDerWaalsContact CG-NH1 3.31Å; D45-R50 IonicContact OD1-NH1 3.16Å; D45-R50 PolarHBondContact OD1-NH1 3.19Å; D45-R50 VanDerWaalsContact OD1-NH1 3.15Å; D45-R50 WeakPolarHBondContact OD2-CB 3.32Å; D45-R50 WeakPolarHBondContact OD2-CD 3.45Å; D45-R50 WeakPolarHBondContact OD2-CG 3.47Å; D45-R50 IonicContact OD2-CZ 2.66Å; D45-R50 PolarHBondContact OD2-N 3.49Å; D45-R50 IonicContact OD2-NH1 3.34Å; D45-R50 PolarHBondContact OD2-NH1 3.03Å; D45-I53 HydrophobicContact CB-CD1 3.71Å; D45-I53 HydrophobicContact CB-CG2 4.22Å |
| 46 | P | 97.6 | Very high | 98.4 | Very high | 62 Ų | 62 | 42.6 Ų | 42.6 | 40% | 0.403 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -16.4 | -164.4 | 27.1 | -36 | 0 | 0 | 0 | 113.4 | N12 G13 P44 | N12-P46 CarbonylContact C-O 3.45Å; N12-P46 VanDerWaalsContact CA-O 3.28Å; N12-P46 WeakPolarHBondContact CA-O 3.25Å; N12-P46 WeakPolarHBondContact CB-O 3.4Å; G13-P46 PolarHBondContact N-O 3.07Å; P44-P46 VanDerWaalsContact C-N 3.34Å |
| 47 | V | 97.7 | Very high | 98.4 | Very high | 90 Ų | 90 | 44 Ų | 44 | 55% | 0.545 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -52.2 | -176 | 179.5 | 0 | 0 | 0 | 0 | 111.5 | N12 D45 N106 | N12-V47 WeakPolarHBondContact CB-O 3.48Å; D45-V47 PolarHBondContact O-N 2.81Å; D45-V47 VanDerWaalsContact O-N 3.07Å; V47-N106 PolarHBondContact O-ND2 2.99Å |
| 48 | T | 98.4 | Very high | 98.5 | Very high | 14 Ų | 14 | 40.3 Ų | 40.3 | 9% | 0.086 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -21.5 | -179.5 | -49.8 | 0 | 0 | 0 | 0 | 112.2 | R50 N106 E109 S110 | T48-R50 VanDerWaalsContact C-N 3.32Å; T48-R50 VanDerWaalsContact CB-NH1 3.33Å; T48-R50 HydrophobicContact CG2-CG 3.86Å; T48-R50 PolarHBondContact O-N 3.49Å; T48-R50 PolarHBondContact OG1-NH1 2.96Å; T48-N106 WeakPolarHBondContact CA-OD1 3.34Å; T48-N106 PolarHBondContact OG1-OD1 2.61Å; T48-E109 HydrophobicContact CG2-CB 3.76Å; T48-S110 VanDerWaalsContact O-CB 3.26Å; T48-S110 WeakPolarHBondContact O-CB 3.37Å |
| 49 | A | 98.5 | Very high | 98.4 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.008 | 25% | 0.246 | C | C | . | . | trans | 53.5 | 46.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | N12 D45 E51 W54 Y112 | N12-A49 HydrophobicContact CB-CB 3.9Å; D45-A49 WeakPolarHBondContact O-CA 3.48Å; D45-A49 PolarHBondContact O-N 3.35Å; A49-E51 PolarHBondContact O-N 2.92Å; A49-W54 VanDerWaalsContact CA-CE2 3.48Å; A49-W54 HydrophobicContact CB-CD2 3.84Å; A49-W54 VanDerWaalsContact CB-CE2 3.42Å; A49-W54 HydrophobicContact CB-CE3 4.08Å; A49-W54 HydrophobicContact CB-CH2 3.6Å; A49-W54 HydrophobicContact CB-CZ2 3.31Å; A49-W54 HydrophobicContact CB-CZ3 3.97Å; A49-Y112 WeakPolarHBondContact O-CE2 3.22Å; A49-Y112 PolarHBondContact O-OH 3.04Å | ||
| 50 | R | 98.8 | Very high | 98.4 | Very high | 78 Ų | 78 | 47.9 Ų | 47.9 | 29% | 0.294 | 26% | 0.263 | S | S | . | . | trans | -59.5 | 131.2 | -174.7 | -74.5 | 176.2 | -175.1 | 80.2 | 6 | 111.6 | D45 T48 S52 I53 W54 E109 S110 | D45-R50 VanDerWaalsContact CG-NH1 3.31Å; D45-R50 IonicContact OD1-NH1 3.16Å; D45-R50 PolarHBondContact OD1-NH1 3.19Å; D45-R50 VanDerWaalsContact OD1-NH1 3.15Å; D45-R50 WeakPolarHBondContact OD2-CB 3.32Å; D45-R50 WeakPolarHBondContact OD2-CD 3.45Å; D45-R50 WeakPolarHBondContact OD2-CG 3.47Å; D45-R50 IonicContact OD2-CZ 2.66Å; D45-R50 PolarHBondContact OD2-N 3.49Å; D45-R50 IonicContact OD2-NH1 3.34Å; D45-R50 PolarHBondContact OD2-NH1 3.03Å; T48-R50 VanDerWaalsContact C-N 3.32Å; T48-R50 VanDerWaalsContact CB-NH1 3.33Å; T48-R50 HydrophobicContact CG2-CG 3.86Å; T48-R50 PolarHBondContact O-N 3.49Å; T48-R50 PolarHBondContact OG1-NH1 2.96Å; R50-S52 PolarHBondContact O-N 2.83Å; R50-I53 HydrophobicContact CB-CB 4.39Å; R50-I53 HydrophobicContact CB-CD1 4.07Å; R50-I53 HydrophobicContact CB-CG1 4.06Å; R50-I53 WeakPolarHBondContact O-CA 3.34Å; R50-I53 PolarHBondContact O-N 2.75Å; R50-W54 PolarHBondContact O-N 3.1Å; R50-E109 IonicContact NH2-OE2 4Å; R50-E109 PolarHBondContact NH2-OE2 3.1Å; R50-S110 WeakPolarHBondContact CA-O 3.26Å | ||
| 51 | E | 98.8 | Very high | 98.4 | Very high | 36 Ų | 36 | 53.7 Ų | 53.7 | 17% | 0.168 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -51.3 | -45.2 | 175.9 | -179.2 | 179.8 | 158.1 | 0 | 0 | 112.1 | A49 I53 W54 L55 S110 Y112 R115 | A49-E51 PolarHBondContact O-N 2.92Å; E51-I53 PolarHBondContact O-N 2.91Å; E51-W54 PolarHBondContact O-N 3.22Å; E51-L55 HydrophobicContact CG-CD1 3.84Å; E51-L55 HydrophobicContact CG-CD2 3.79Å; E51-L55 HydrophobicContact CG-CG 4.35Å; E51-L55 WeakPolarHBondContact O-CB 3.36Å; E51-L55 PolarHBondContact O-N 2.94Å; E51-L55 VanDerWaalsContact O-N 3.08Å; E51-S110 PolarHBondContact N-O 2.97Å; E51-Y112 HydrophobicContact CB-CD1 3.64Å; E51-Y112 HydrophobicContact CB-CE1 3.44Å; E51-Y112 VanDerWaalsContact CB-CE1 3.44Å; E51-Y112 HydrophobicContact CB-CG 4.43Å; E51-Y112 HydrophobicContact CG-CD1 3.83Å; E51-Y112 HydrophobicContact CG-CE1 3.66Å; E51-R115 VanDerWaalsContact CD-NH2 3.26Å; E51-R115 IonicContact OE1-CZ 3.85Å; E51-R115 IonicContact OE1-NH1 3.99Å; E51-R115 IonicContact OE1-NH2 3.24Å; E51-R115 PolarHBondContact OE1-NH2 3.5Å; E51-R115 IonicContact OE2-CZ 3.25Å; E51-R115 VanDerWaalsContact OE2-CZ 3.28Å; E51-R115 IonicContact OE2-NH1 2.76Å; E51-R115 PolarHBondContact OE2-NH1 3.2Å; E51-R115 IonicContact OE2-NH2 3.76Å; E51-R115 PolarHBondContact OE2-NH2 2.97Å; E51-R115 VanDerWaalsContact OE2-NH2 3.14Å |
| 52 | S | 98.8 | Very high | 98.4 | Very high | 93 Ų | 93 | 51.2 Ų | 51.2 | 65% | 0.65 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -63.6 | -11.1 | 180 | 57.4 | 0 | 0 | 0 | 0 | 114.2 | R50 P56 | R50-S52 PolarHBondContact O-N 2.83Å; S52-P56 WeakPolarHBondContact O-CG 3.49Å |
| 53 | I | 98.8 | Very high | 98.3 | Very high | 63 Ų | 63 | 53 Ų | 53 | 32% | 0.323 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -110.6 | -46.5 | 179 | -57.4 | -179.2 | 0 | 0 | 0 | 110 | P44 D45 R50 E51 F57 | P44-I53 HydrophobicContact CB-CG2 3.76Å; P44-I53 HydrophobicContact CG-CG2 3.61Å; D45-I53 HydrophobicContact CB-CD1 3.71Å; D45-I53 HydrophobicContact CB-CG2 4.22Å; R50-I53 HydrophobicContact CB-CB 4.39Å; R50-I53 HydrophobicContact CB-CD1 4.07Å; R50-I53 HydrophobicContact CB-CG1 4.06Å; R50-I53 WeakPolarHBondContact O-CA 3.34Å; R50-I53 PolarHBondContact O-N 2.75Å; E51-I53 PolarHBondContact O-N 2.91Å; I53-F57 WeakPolarHBondContact O-CB 3.43Å; I53-F57 PolarHBondContact O-N 2.76Å |
| 54 | W | 98.8 | Very high | 98.4 | Very high | 1 Ų | 1 | 53 Ų | 53 | 0% | 0.004 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -71.1 | -39.9 | -174.9 | -81.7 | 32.4 | 0 | 0 | 0 | 113.1 | V9 P10 M43 P44 A49 R50 E51 F57 I58 A79 Y112 | V9-W54 HydrophobicContact CG1-CE3 3.87Å; V9-W54 HydrophobicContact CG1-CZ3 3.81Å; P10-W54 WeakPolarHBondContact O-CH2 3.43Å; P10-W54 VanDerWaalsContact O-CZ3 3.31Å; P10-W54 WeakPolarHBondContact O-CZ3 3.26Å; M43-W54 HydrophobicContact CB-CD2 4.24Å; M43-W54 VanDerWaalsContact CB-CE2 3.5Å; M43-W54 HydrophobicContact CB-CH2 4.19Å; M43-W54 HydrophobicContact CB-CZ2 3.47Å; M43-W54 VanDerWaalsContact CB-CZ2 3.47Å; M43-W54 HydrophobicContact CE-CB 4.02Å; M43-W54 HydrophobicContact CE-CD2 3.57Å; M43-W54 HydrophobicContact CE-CE3 3.83Å; M43-W54 HydrophobicContact CE-CG 3.68Å; M43-W54 HydrophobicContact CG-CD2 4.31Å; M43-W54 HydrophobicContact CG-CE3 4.47Å; M43-W54 HydrophobicContact CG-CH2 3.98Å; M43-W54 HydrophobicContact CG-CZ2 3.78Å; M43-W54 HydrophobicContact CG-CZ3 4.32Å; P44-W54 VanDerWaalsContact O-CD1 3.31Å; P44-W54 PolarHBondContact O-NE1 3.26Å; A49-W54 VanDerWaalsContact CA-CE2 3.48Å; A49-W54 HydrophobicContact CB-CD2 3.84Å; A49-W54 VanDerWaalsContact CB-CE2 3.42Å; A49-W54 HydrophobicContact CB-CE3 4.08Å; A49-W54 HydrophobicContact CB-CH2 3.6Å; A49-W54 HydrophobicContact CB-CZ2 3.31Å; A49-W54 HydrophobicContact CB-CZ3 3.97Å; R50-W54 PolarHBondContact O-N 3.1Å; E51-W54 PolarHBondContact O-N 3.22Å; W54-F57 PolarHBondContact O-N 3.16Å; W54-I58 WeakPolarHBondContact O-CB 3.4Å; W54-I58 VanDerWaalsContact O-CG1 3.26Å; W54-I58 WeakPolarHBondContact O-CG1 3.33Å; W54-I58 PolarHBondContact O-N 3.32Å; W54-A79 HydrophobicContact CE3-CB 3.98Å; W54-Y112 WeakPolarHBondContact CB-OH 3.37Å |
| 55 | L | 98.8 | Very high | 98.3 | Very high | 24 Ų | 24 | 53.8 Ų | 53.8 | 13% | 0.126 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.9 | -47.2 | -179.7 | -88.5 | 57.3 | 0 | 0 | 0 | 112 | E51 F57 I58 Q59 A79 R82 Y83 Y112 | E51-L55 HydrophobicContact CG-CD1 3.84Å; E51-L55 HydrophobicContact CG-CD2 3.79Å; E51-L55 HydrophobicContact CG-CG 4.35Å; E51-L55 WeakPolarHBondContact O-CB 3.36Å; E51-L55 PolarHBondContact O-N 2.94Å; E51-L55 VanDerWaalsContact O-N 3.08Å; L55-F57 VanDerWaalsContact C-N 3.29Å; L55-F57 PolarHBondContact O-N 2.5Å; L55-I58 PolarHBondContact O-N 3.08Å; L55-Q59 PolarHBondContact O-N 3.28Å; L55-A79 HydrophobicContact CD1-CB 4.29Å; L55-R82 HydrophobicContact CD1-CB 4.49Å; L55-R82 HydrophobicContact CD2-CB 4.04Å; L55-Y83 HydrophobicContact CB-CD2 4.45Å; L55-Y83 HydrophobicContact CG-CD2 4.18Å; L55-Y112 HydrophobicContact CD1-CE1 3.86Å |
| 56 | P | 98.8 | Very high | 98.3 | Very high | 54 Ų | 54 | 56.6 Ų | 56.6 | 35% | 0.351 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -57.5 | -40.7 | 171.2 | -27.5 | 36.2 | 0 | 0 | 0 | 113 | S52 Q59 E60 | S52-P56 WeakPolarHBondContact O-CG 3.49Å; P56-Q59 WeakPolarHBondContact O-CB 3.36Å; P56-Q59 PolarHBondContact O-N 2.93Å; P56-E60 WeakPolarHBondContact O-CB 3.32Å; P56-E60 WeakPolarHBondContact O-CG 3.43Å; P56-E60 PolarHBondContact O-N 3.37Å |
| 57 | F | 98.8 | Very high | 98.4 | Very high | 40 Ų | 40 | 56.5 Ų | 56.5 | 18% | 0.175 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65 | -41.2 | 177.7 | -173.1 | -92.9 | 0 | 0 | 0 | 112.8 | M43 P44 I53 W54 L55 Q59 E61 L62 | M43-F57 HydrophobicContact CE-CD1 3.72Å; M43-F57 HydrophobicContact CE-CE1 4.37Å; M43-F57 HydrophobicContact SD-CD1 3.76Å; M43-F57 HydrophobicContact SD-CE1 3.79Å; P44-F57 HydrophobicContact CG-CB 3.91Å; P44-F57 HydrophobicContact CG-CD1 4.46Å; P44-F57 HydrophobicContact CG-CD2 3.69Å; P44-F57 HydrophobicContact CG-CE2 4.32Å; P44-F57 HydrophobicContact CG-CG 3.77Å; I53-F57 WeakPolarHBondContact O-CB 3.43Å; I53-F57 PolarHBondContact O-N 2.76Å; W54-F57 PolarHBondContact O-N 3.16Å; L55-F57 VanDerWaalsContact C-N 3.29Å; L55-F57 PolarHBondContact O-N 2.5Å; F57-Q59 VanDerWaalsContact C-N 3.27Å; F57-Q59 PolarHBondContact O-N 3.38Å; F57-E61 HydrophobicContact CD1-CB 4.4Å; F57-E61 HydrophobicContact CD2-CB 3.67Å; F57-E61 HydrophobicContact CD2-CG 3.52Å; F57-E61 HydrophobicContact CE1-CB 4.3Å; F57-E61 HydrophobicContact CE2-CB 3.55Å; F57-E61 HydrophobicContact CE2-CG 3.6Å; F57-E61 HydrophobicContact CG-CB 4.11Å; F57-E61 HydrophobicContact CG-CG 4.31Å; F57-E61 HydrophobicContact CZ-CB 3.89Å; F57-E61 HydrophobicContact CZ-CG 4.44Å; F57-E61 WeakPolarHBondContact O-CB 3.29Å; F57-E61 PolarHBondContact O-N 2.88Å; F57-L62 HydrophobicContact CD1-CD1 4.28Å; F57-L62 HydrophobicContact CD1-CG 4.07Å; F57-L62 HydrophobicContact CE1-CD1 4.22Å; F57-L62 HydrophobicContact CE1-CD2 3.99Å; F57-L62 HydrophobicContact CE1-CG 3.86Å; F57-L62 PolarHBondContact O-N 3.31Å |
| 58 | I | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58 | -43.1 | 173.6 | -73.2 | 163.4 | 0 | 0 | 0 | 110.4 | I7 V9 M43 W54 L55 L62 Q63 C64 I70 A79 Y83 | I7-I58 HydrophobicContact CD1-CG2 3.79Å; V9-I58 HydrophobicContact CG1-CD1 4.31Å; V9-I58 HydrophobicContact CG2-CD1 4.09Å; V9-I58 HydrophobicContact CG2-CG1 4.12Å; M43-I58 HydrophobicContact CE-CG1 4.25Å; W54-I58 WeakPolarHBondContact O-CB 3.4Å; W54-I58 VanDerWaalsContact O-CG1 3.26Å; W54-I58 WeakPolarHBondContact O-CG1 3.33Å; W54-I58 PolarHBondContact O-N 3.32Å; L55-I58 PolarHBondContact O-N 3.08Å; I58-L62 HydrophobicContact CG1-CD1 4.35Å; I58-L62 CarbonylContact O-C 3.57Å; I58-L62 WeakPolarHBondContact O-CB 3.27Å; I58-Q63 PolarHBondContact O-N 2.85Å; I58-C64 HydrophobicContact CG2-CB 3.69Å; I58-C64 VanDerWaalsContact O-CB 3.28Å; I58-C64 WeakPolarHBondContact O-CB 3.49Å; I58-C64 PolarHBondContact O-N 2.91Å; I58-C64 VanDerWaalsContact O-N 3.12Å; I58-I70 HydrophobicContact CG2-CD1 4.45Å; I58-A79 HydrophobicContact CD1-CB 4.05Å; I58-Y83 HydrophobicContact CB-CD2 4.43Å; I58-Y83 HydrophobicContact CG2-CD1 4.24Å; I58-Y83 HydrophobicContact CG2-CD2 3.93Å; I58-Y83 HydrophobicContact CG2-CE1 4.24Å; I58-Y83 HydrophobicContact CG2-CE2 3.98Å; I58-Y83 HydrophobicContact CG2-CG 4.08Å |
| 59 | Q | 98.5 | Very high | 98.4 | Very high | 79 Ų | 79 | 51.6 Ų | 51.6 | 37% | 0.369 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -69.6 | -53.6 | 179.6 | -178.1 | 135.2 | -54.4 | 0 | 0 | 113.1 | L55 P56 F57 Q63 Y83 H87 | L55-Q59 PolarHBondContact O-N 3.28Å; P56-Q59 WeakPolarHBondContact O-CB 3.36Å; P56-Q59 PolarHBondContact O-N 2.93Å; F57-Q59 VanDerWaalsContact C-N 3.27Å; F57-Q59 PolarHBondContact O-N 3.38Å; Q59-Q63 WeakPolarHBondContact O-CA 3.29Å; Q59-Q63 PolarHBondContact O-N 3.18Å; Q59-Y83 HydrophobicContact CB-CE2 4.03Å; Q59-Y83 PolarHBondContact OE1-OH 2.89Å; Q59-H87 PolarHBondContact OE1-CD2 3.46Å; Q59-H87 PolarHBondContact OE1-NE2 2.79Å |
| 60 | E | 97.9 | Very high | 98.4 | Very high | 131 Ų | 131 | 51.5 Ų | 51.5 | 61% | 0.612 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -88.8 | -44.9 | -164 | -64 | 176.9 | -173.8 | 0 | 0 | 111.7 | P56 Q63 | P56-E60 WeakPolarHBondContact O-CB 3.32Å; P56-E60 WeakPolarHBondContact O-CG 3.43Å; P56-E60 PolarHBondContact O-N 3.37Å; E60-Q63 WeakPolarHBondContact O-CG 3.09Å |
| 61 | E | 98.1 | Very high | 98.4 | Very high | 129 Ų | 129 | 47.8 Ų | 47.8 | 60% | 0.603 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | -39.1 | -172.4 | -61.5 | -64.5 | 161 | 0 | 0 | 112 | F57 Q63 | F57-E61 HydrophobicContact CD1-CB 4.4Å; F57-E61 HydrophobicContact CD2-CB 3.67Å; F57-E61 HydrophobicContact CD2-CG 3.52Å; F57-E61 HydrophobicContact CE1-CB 4.3Å; F57-E61 HydrophobicContact CE2-CB 3.55Å; F57-E61 HydrophobicContact CE2-CG 3.6Å; F57-E61 HydrophobicContact CG-CB 4.11Å; F57-E61 HydrophobicContact CG-CG 4.31Å; F57-E61 HydrophobicContact CZ-CB 3.89Å; F57-E61 HydrophobicContact CZ-CG 4.44Å; F57-E61 WeakPolarHBondContact O-CB 3.29Å; F57-E61 PolarHBondContact O-N 2.88Å; E61-Q63 VanDerWaalsContact C-N 3.27Å |
| 62 | L | 97.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -85.7 | -2.7 | 171.4 | -55.3 | -177.7 | 0 | 0 | 0 | 112.6 | I7 L39 M43 F57 I58 C64 | I7-L62 HydrophobicContact CB-CD1 4.47Å; I7-L62 HydrophobicContact CD1-CB 4.33Å; I7-L62 HydrophobicContact CD1-CD1 4.34Å; I7-L62 HydrophobicContact CG2-CB 4.19Å; L39-L62 HydrophobicContact CB-CD2 4.41Å; L39-L62 VanDerWaalsContact CD1-O 3.32Å; L39-L62 WeakPolarHBondContact CD1-O 3.38Å; M43-L62 HydrophobicContact SD-CD1 4.36Å; F57-L62 HydrophobicContact CD1-CD1 4.28Å; F57-L62 HydrophobicContact CD1-CG 4.07Å; F57-L62 HydrophobicContact CE1-CD1 4.22Å; F57-L62 HydrophobicContact CE1-CD2 3.99Å; F57-L62 HydrophobicContact CE1-CG 3.86Å; F57-L62 PolarHBondContact O-N 3.31Å; I58-L62 HydrophobicContact CG1-CD1 4.35Å; I58-L62 CarbonylContact O-C 3.57Å; I58-L62 WeakPolarHBondContact O-CB 3.27Å; L62-C64 PolarHBondContact O-N 3.47Å |
| 63 | Q | 97.6 | Very high | 98.5 | Very high | 125 Ų | 125 | 41.8 Ų | 41.8 | 58% | 0.584 | 20% | 0.204 | S | C | * | . | trans | 49.2 | 45.1 | 175 | -57.4 | -171 | -53.7 | 0 | 0 | 112 | K5 I58 Q59 E60 E61 | K5-Q63 PolarHBondContact NZ-O 2.99Å; I58-Q63 PolarHBondContact O-N 2.85Å; Q59-Q63 WeakPolarHBondContact O-CA 3.29Å; Q59-Q63 PolarHBondContact O-N 3.18Å; E60-Q63 WeakPolarHBondContact O-CG 3.09Å; E61-Q63 VanDerWaalsContact C-N 3.27Å | ||
| 64 | C | 98.4 | Very high | 98.4 | Very high | 11 Ų | 11 | 39.3 Ų | 39.3 | 7% | 0.074 | 19% | 0.193 | C | C | . | . | trans | -66.1 | 133.8 | -179.9 | -166.4 | 0 | 0 | 0 | 0 | 110.4 | I7 I58 L62 Y83 | I7-C64 HydrophobicContact CD1-CB 3.88Å; I58-C64 HydrophobicContact CG2-CB 3.69Å; I58-C64 VanDerWaalsContact O-CB 3.28Å; I58-C64 WeakPolarHBondContact O-CB 3.49Å; I58-C64 PolarHBondContact O-N 2.91Å; I58-C64 VanDerWaalsContact O-N 3.12Å; L62-C64 PolarHBondContact O-N 3.47Å; C64-Y83 HydrophobicContact CB-CE1 3.96Å | ||
| 65 | D | 97.8 | Very high | 98.4 | Very high | 59 Ų | 59 | 39.3 Ų | 39.3 | 32% | 0.316 | 19% | 0.193 | S | C | . | . | trans | -147 | -175.4 | -176.5 | 57.4 | 34.6 | 0 | 0 | 0 | 111.2 | K5 E67 T68 | K5-D65 IonicContact NZ-OD1 3.15Å; K5-D65 IonicContact NZ-OD2 3.07Å; K5-D65 PolarHBondContact NZ-OD2 2.87Å; D65-E67 PolarHBondContact O-N 2.82Å; D65-E67 PolarHBondContact OD1-N 2.81Å; D65-T68 PolarHBondContact N-OG1 3.29Å; D65-T68 VanDerWaalsContact O-CB 3.23Å; D65-T68 WeakPolarHBondContact O-CB 3.43Å; D65-T68 PolarHBondContact O-N 3.48Å; D65-T68 VanDerWaalsContact O-N 3.08Å; D65-T68 PolarHBondContact O-OG1 3.09Å; D65-T68 PolarHBondContact OD1-N 3.4Å; D65-T68 PolarHBondContact OD1-OG1 3.25Å | ||
| 66 | E | 97.8 | Very high | 98.4 | Very high | 97 Ų | 97 | 38.1 Ų | 38.1 | 45% | 0.453 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -12.7 | -177.7 | 66 | -178.6 | -164.5 | 0 | 0 | 114.7 | M1 F90 | M1-E66 HydrophobicContact CE-CB 3.7Å; M1-E66 HydrophobicContact CE-CG 4.2Å; M1-E66 HydrophobicContact SD-CB 3.58Å; M1-E66 VanDerWaalsContact SD-CB 3.58Å; M1-E66 HydrophobicContact SD-CG 3.38Å; M1-E66 WeakPolarHBondContact SD-CG 3.44Å; M1-E66 VanDerWaalsContact SD-OE2 3.39Å; E66-F90 WeakPolarHBondContact O-CA 3.23Å; E66-F90 WeakPolarHBondContact O-CB 3.41Å; E66-F90 PolarHBondContact O-N 3.08Å |
| 67 | E | 98 | Very high | 98.5 | Very high | 61 Ų | 61 | 35.6 Ų | 35.6 | 29% | 0.285 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 8 | 174.9 | -59.7 | -166.8 | 166.1 | 0 | 0 | 112.7 | P2 T4 K5 D65 | P2-E67 WeakPolarHBondContact CD-OE1 3.49Å; P2-E67 HydrophobicContact CG-CG 4.39Å; P2-E67 VanDerWaalsContact CG-OE1 3.29Å; P2-E67 WeakPolarHBondContact CG-OE1 3.31Å; P2-E67 WeakPolarHBondContact O-CB 3.48Å; P2-E67 WeakPolarHBondContact O-CG 3.43Å; T4-E67 VanDerWaalsContact CG2-OE2 3.29Å; T4-E67 WeakPolarHBondContact CG2-OE2 3.37Å; T4-E67 PolarHBondContact N-O 3.01Å; T4-E67 WeakPolarHBondContact OG1-CB 3.32Å; T4-E67 PolarHBondContact OG1-OE2 2.97Å; K5-E67 PolarHBondContact N-O 3.21Å; D65-E67 PolarHBondContact O-N 2.82Å; D65-E67 PolarHBondContact OD1-N 2.81Å |
| 68 | T | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 132.2 | -174 | -59 | 0 | 0 | 0 | 0 | 112.2 | K5 I7 D65 F90 G91 | K5-T68 HydrophobicContact CB-CG2 4.39Å; K5-T68 HydrophobicContact CD-CG2 4.33Å; K5-T68 HydrophobicContact CG-CG2 4.34Å; K5-T68 CarbonylContact O-C 3.54Å; K5-T68 WeakPolarHBondContact O-CA 3.26Å; I7-T68 HydrophobicContact CB-CG2 4.4Å; I7-T68 HydrophobicContact CD1-CG2 4.27Å; I7-T68 HydrophobicContact CG1-CG2 3.96Å; I7-T68 HydrophobicContact CG2-CG2 3.78Å; D65-T68 PolarHBondContact N-OG1 3.29Å; D65-T68 VanDerWaalsContact O-CB 3.23Å; D65-T68 WeakPolarHBondContact O-CB 3.43Å; D65-T68 PolarHBondContact O-N 3.48Å; D65-T68 VanDerWaalsContact O-N 3.08Å; D65-T68 PolarHBondContact O-OG1 3.09Å; D65-T68 PolarHBondContact OD1-N 3.4Å; D65-T68 PolarHBondContact OD1-OG1 3.25Å; T68-F90 WeakPolarHBondContact O-CB 3.36Å; T68-F90 PolarHBondContact O-N 3.43Å; T68-G91 PolarHBondContact O-N 2.96Å |
| 69 | V | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 123.3 | 160.2 | 67.8 | 0 | 0 | 0 | 0 | 110.1 | L3 K5 A6 I7 G91 I93 L180 | L3-V69 HydrophobicContact CD1-CB 3.79Å; L3-V69 HydrophobicContact CD1-CG1 3.78Å; L3-V69 HydrophobicContact CD2-CG1 4.39Å; K5-V69 PolarHBondContact O-N 2.94Å; A6-V69 WeakPolarHBondContact CA-O 3.45Å; A6-V69 HydrophobicContact CB-CG1 3.62Å; I7-V69 PolarHBondContact N-O 2.63Å; V69-G91 WeakPolarHBondContact CA-O 3.42Å; V69-I93 HydrophobicContact CG2-CD1 4.16Å; V69-I93 HydrophobicContact CG2-CG1 3.89Å; V69-L180 HydrophobicContact CG2-CD1 4Å |
| 70 | I | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 122.9 | 173.4 | -48.1 | -174.8 | 0 | 0 | 0 | 108.8 | I7 V9 I58 A80 Y83 V89 G91 L92 I93 | I7-I70 HydrophobicContact CD1-CB 4.39Å; I7-I70 HydrophobicContact CD1-CD1 4.25Å; I7-I70 HydrophobicContact CD1-CG1 3.87Å; I7-I70 HydrophobicContact CD1-CG2 4.08Å; I7-I70 HydrophobicContact CG1-CB 4.11Å; I7-I70 HydrophobicContact CG1-CG1 3.98Å; I7-I70 HydrophobicContact CG1-CG2 3.91Å; V9-I70 HydrophobicContact CG2-CG2 3.84Å; I58-I70 HydrophobicContact CG2-CD1 4.45Å; I70-A80 HydrophobicContact CB-CB 4.23Å; I70-A80 HydrophobicContact CG2-CB 3.57Å; I70-Y83 HydrophobicContact CD1-CD1 3.61Å; I70-Y83 HydrophobicContact CD1-CE1 4.22Å; I70-Y83 HydrophobicContact CD1-CG 4.35Å; I70-V89 HydrophobicContact CD1-CG1 4.03Å; I70-V89 HydrophobicContact CG1-CG1 4.35Å; I70-G91 PolarHBondContact N-O 3Å; I70-L92 HydrophobicContact CB-CD2 3.79Å; I70-L92 HydrophobicContact CD1-CD2 4.17Å; I70-L92 HydrophobicContact CG1-CD2 4.14Å; I70-L92 WeakPolarHBondContact O-CA 3.42Å; I70-I93 PolarHBondContact O-N 2.69Å |
| 71 | I | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 95.5 | 173.8 | -50 | 177.6 | 0 | 0 | 0 | 107.7 | A6 I7 I8 V9 W22 I30 I93 L173 V177 | A6-I71 HydrophobicContact CB-CD1 4.3Å; I7-I71 PolarHBondContact O-N 3.44Å; I8-I71 WeakPolarHBondContact CA-O 3.47Å; I8-I71 HydrophobicContact CG1-CB 4.25Å; I8-I71 HydrophobicContact CG1-CD1 4.25Å; V9-I71 PolarHBondContact N-O 3.36Å; W22-I71 HydrophobicContact CH2-CG2 3.69Å; W22-I71 HydrophobicContact CZ3-CG2 4.1Å; I30-I71 HydrophobicContact CD1-CD1 3.56Å; I71-I93 CarbonylContact C-O 3.55Å; I71-I93 WeakPolarHBondContact CA-O 3.49Å; I71-I93 HydrophobicContact CG1-CB 4.28Å; I71-I93 HydrophobicContact CG1-CD1 4.31Å; I71-I93 HydrophobicContact CG2-CB 4.29Å; I71-I93 HydrophobicContact CG2-CG2 4.42Å; I71-L173 HydrophobicContact CD1-CD1 4.44Å; I71-L173 HydrophobicContact CG2-CD1 3.78Å; I71-L173 HydrophobicContact CG2-CD2 4.13Å; I71-V177 HydrophobicContact CD1-CG2 3.94Å |
| 72 | G | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 132.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112 | V9 G76 I93 V95 | V9-G72 WeakPolarHBondContact O-CA 3.35Å; G72-G76 WeakPolarHBondContact CA-O 3.44Å; G72-I93 PolarHBondContact N-O 3.22Å; G72-V95 PolarHBondContact O-N 2.76Å |
| 73 | H | 98.9 | Very high | 98.6 | Very high | 2 Ų | 2 | 17.8 Ų | 17.8 | 1% | 0.009 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 128.3 | 173 | -178.9 | -132.9 | 0 | 0 | 0 | 111.3 | V9 P10 G11 W22 Y23 S75 G76 V95 H164 | V9-H73 PolarHBondContact O-N 2.78Å; P10-H73 CarbonylContact C-O 3.43Å; G11-H73 WeakPolarHBondContact CA-O 3.38Å; G11-H73 PolarHBondContact N-O 3.4Å; W22-H73 HydrophobicContact CH2-CB 4.5Å; W22-H73 HydrophobicContact CZ2-CB 3.94Å; Y23-H73 HydrophobicContact CE1-CB 3.89Å; Y23-H73 AromaticContact CE1-ND1 3.74Å; Y23-H73 AromaticContact CZ-ND1 3.66Å; Y23-H73 PolarHBondContact OH-ND1 2.9Å; H73-S75 PolarHBondContact O-N 3.39Å; H73-G76 WeakPolarHBondContact O-CA 3.33Å; H73-G76 PolarHBondContact O-N 2.94Å; H73-V95 CarbonylContact C-O 3.55Å; H73-V95 WeakPolarHBondContact CA-O 3.41Å; H73-V95 HydrophobicContact CB-CB 4.46Å; H73-V95 PolarHBondContact CD2-O 2.75Å; H73-H164 PolarHBondContact CE1-O 3.25Å; H73-H164 PolarHBondContact NE2-O 2.97Å |
| 74 | S | 98.5 | Very high | 98.7 | Very high | 11 Ų | 11 | 11.8 Ų | 11.8 | 8% | 0.077 | 6% | 0.059 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | -119.9 | 177.1 | -169.3 | 0 | 0 | 0 | 0 | 111.4 | G76 A77 A78 V95 G96 H164 | S74-G76 PolarHBondContact O-N 2.95Å; S74-G76 VanDerWaalsContact O-N 3.11Å; S74-A77 WeakPolarHBondContact O-CA 3.47Å; S74-A77 WeakPolarHBondContact O-CB 3.5Å; S74-A77 PolarHBondContact O-N 3.23Å; S74-A78 PolarHBondContact O-N 2.76Å; S74-V95 PolarHBondContact N-O 3.14Å; S74-G96 WeakPolarHBondContact CA-O 3.5Å; S74-H164 VanDerWaalsContact CB-NE2 3.26Å; S74-H164 WeakPolarHBondContact CB-NE2 3.4Å; S74-H164 PolarHBondContact OG-CE1 3.21Å; S74-H164 PolarHBondContact OG-NE2 2.69Å |
| 75 | S | 98.8 | Very high | 98.7 | Very high | 1 Ų | 1 | 12.3 Ų | 12.3 | 1% | 0.007 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -54.2 | -31.4 | 174.3 | -36.5 | 0 | 0 | 0 | 0 | 113.2 | N12 H73 A77 A78 A79 | N12-S75 PolarHBondContact N-OG 3.5Å; N12-S75 PolarHBondContact ND2-OG 3.21Å; N12-S75 VanDerWaalsContact ND2-OG 3.12Å; H73-S75 PolarHBondContact O-N 3.39Å; S75-A77 VanDerWaalsContact C-N 3.31Å; S75-A77 PolarHBondContact O-N 3.42Å; S75-A78 WeakPolarHBondContact O-CB 3.38Å; S75-A78 PolarHBondContact O-N 2.96Å; S75-A79 PolarHBondContact O-N 2.82Å |
| 76 | G | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -67.9 | -27.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | P10 G72 H73 S74 A80 | P10-G76 VanDerWaalsContact O-CA 3.31Å; P10-G76 WeakPolarHBondContact O-CA 3.29Å; P10-G76 PolarHBondContact O-N 3.47Å; G72-G76 WeakPolarHBondContact CA-O 3.44Å; H73-G76 WeakPolarHBondContact O-CA 3.33Å; H73-G76 PolarHBondContact O-N 2.94Å; S74-G76 PolarHBondContact O-N 2.95Å; S74-G76 VanDerWaalsContact O-N 3.11Å; G76-A80 VanDerWaalsContact O-CB 3.32Å; G76-A80 WeakPolarHBondContact O-CB 3.04Å; G76-A80 PolarHBondContact O-N 3.42Å |
| 77 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -71.2 | -41.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | S74 S75 A79 A80 M81 L94 A97 | S74-A77 WeakPolarHBondContact O-CA 3.47Å; S74-A77 WeakPolarHBondContact O-CB 3.5Å; S74-A77 PolarHBondContact O-N 3.23Å; S75-A77 VanDerWaalsContact C-N 3.31Å; S75-A77 PolarHBondContact O-N 3.42Å; A77-A79 VanDerWaalsContact C-N 3.34Å; A77-A79 PolarHBondContact O-N 3.45Å; A77-A80 PolarHBondContact O-N 2.99Å; A77-M81 WeakPolarHBondContact O-CG 3.35Å; A77-M81 PolarHBondContact O-N 3.4Å; A77-L94 HydrophobicContact CB-CB 4.41Å; A77-L94 HydrophobicContact CB-CD2 4.1Å; A77-A97 HydrophobicContact CB-CB 3.9Å |
| 78 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -60.2 | -44.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | S74 S75 M81 R82 Y112 F113 W117 | S74-A78 PolarHBondContact O-N 2.76Å; S75-A78 WeakPolarHBondContact O-CB 3.38Å; S75-A78 PolarHBondContact O-N 2.96Å; A78-M81 PolarHBondContact O-N 3.35Å; A78-R82 PolarHBondContact O-N 2.96Å; A78-Y112 HydrophobicContact CB-CD2 4Å; A78-Y112 HydrophobicContact CB-CG 4.03Å; A78-F113 HydrophobicContact CB-CE1 4.33Å; A78-F113 HydrophobicContact CB-CZ 3.92Å; A78-W117 HydrophobicContact CB-CH2 4.15Å |
| 79 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -59.4 | -46.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | V9 W54 L55 I58 S75 A77 M81 R82 Y83 Y112 | V9-A79 HydrophobicContact CG1-CB 4.39Å; W54-A79 HydrophobicContact CE3-CB 3.98Å; L55-A79 HydrophobicContact CD1-CB 4.29Å; I58-A79 HydrophobicContact CD1-CB 4.05Å; S75-A79 PolarHBondContact O-N 2.82Å; A77-A79 VanDerWaalsContact C-N 3.34Å; A77-A79 PolarHBondContact O-N 3.45Å; A79-M81 PolarHBondContact O-N 2.84Å; A79-R82 PolarHBondContact O-N 3.39Å; A79-Y83 WeakPolarHBondContact O-CB 3.43Å; A79-Y83 PolarHBondContact O-N 3.36Å; A79-Y112 HydrophobicContact CB-CE1 3.98Å; A79-Y112 VanDerWaalsContact CB-OH 3.25Å; A79-Y112 WeakPolarHBondContact CB-OH 3.32Å |
| 80 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -62 | -41.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | I70 G76 A77 Y83 A84 L92 L94 | I70-A80 HydrophobicContact CB-CB 4.23Å; I70-A80 HydrophobicContact CG2-CB 3.57Å; G76-A80 VanDerWaalsContact O-CB 3.32Å; G76-A80 WeakPolarHBondContact O-CB 3.04Å; G76-A80 PolarHBondContact O-N 3.42Å; A77-A80 PolarHBondContact O-N 2.99Å; A80-Y83 PolarHBondContact O-N 3.38Å; A80-A84 WeakPolarHBondContact O-CB 3.45Å; A80-A84 PolarHBondContact O-N 3.47Å; A80-A84 VanDerWaalsContact O-N 3.08Å; A80-L92 HydrophobicContact CB-CD2 4.09Å; A80-L94 HydrophobicContact CB-CD2 4.1Å |
| 81 | M | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -62.9 | -50.2 | 175.3 | -72.2 | -171.6 | -61.6 | 0 | 0 | 111.3 | A77 A78 A79 Y83 A84 E85 L94 A97 Y98 W117 W119 M122 V148 L152 | A77-M81 WeakPolarHBondContact O-CG 3.35Å; A77-M81 PolarHBondContact O-N 3.4Å; A78-M81 PolarHBondContact O-N 3.35Å; A79-M81 PolarHBondContact O-N 2.84Å; M81-Y83 VanDerWaalsContact C-N 3.31Å; M81-Y83 PolarHBondContact O-N 3.2Å; M81-A84 PolarHBondContact O-N 2.73Å; M81-A84 VanDerWaalsContact O-N 3.15Å; M81-E85 PolarHBondContact O-N 3.15Å; M81-L94 HydrophobicContact CG-CD1 3.89Å; M81-L94 HydrophobicContact CG-CD2 4.18Å; M81-L94 HydrophobicContact SD-CD1 4.02Å; M81-A97 HydrophobicContact CE-CB 4.38Å; M81-Y98 WeakPolarHBondContact CE-O 3.33Å; M81-W117 HydrophobicContact CB-CE3 4.08Å; M81-W117 HydrophobicContact CB-CH2 4.24Å; M81-W117 HydrophobicContact CB-CZ3 3.47Å; M81-W117 VanDerWaalsContact CB-CZ3 3.47Å; M81-W117 HydrophobicContact CE-CE3 4.48Å; M81-W117 HydrophobicContact CE-CH2 3.72Å; M81-W117 HydrophobicContact CE-CZ2 4.12Å; M81-W117 HydrophobicContact CE-CZ3 3.91Å; M81-W117 HydrophobicContact SD-CZ3 4.49Å; M81-W119 HydrophobicContact SD-CZ3 4.23Å; M81-M122 HydrophobicContact CB-SD 3.71Å; M81-M122 HydrophobicContact CG-SD 4.24Å; M81-V148 HydrophobicContact CE-CG2 4.3Å; M81-V148 HydrophobicContact SD-CG1 3.52Å; M81-V148 VanDerWaalsContact SD-CG1 3.52Å; M81-V148 HydrophobicContact SD-CG2 4.21Å; M81-L152 HydrophobicContact CG-CD1 4.23Å; M81-L152 HydrophobicContact SD-CD1 4Å |
| 82 | R | 98.9 | Very high | 98.7 | Very high | 2 Ų | 2 | 14.3 Ų | 14.3 | 1% | 0.008 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -62.2 | -38.1 | 177.6 | -70.3 | -47.4 | -169.5 | 169.8 | -5.6 | 113 | L55 A78 A79 A84 E85 Y112 R115 P116 W117 | L55-R82 HydrophobicContact CD1-CB 4.49Å; L55-R82 HydrophobicContact CD2-CB 4.04Å; A78-R82 PolarHBondContact O-N 2.96Å; A79-R82 PolarHBondContact O-N 3.39Å; R82-A84 VanDerWaalsContact C-N 3.3Å; R82-A84 PolarHBondContact O-N 2.83Å; R82-E85 VanDerWaalsContact CD-OE2 3.3Å; R82-E85 WeakPolarHBondContact CD-OE2 3.5Å; R82-E85 IonicContact CZ-OE1 2.82Å; R82-E85 IonicContact CZ-OE2 3.91Å; R82-E85 IonicContact NE-OE1 2.96Å; R82-E85 VanDerWaalsContact NH1-CD 3.3Å; R82-E85 IonicContact NH1-OE1 3.8Å; R82-E85 PolarHBondContact NH1-OE1 2.97Å; R82-E85 IonicContact NH1-OE2 3.67Å; R82-E85 PolarHBondContact NH1-OE2 3.22Å; R82-E85 VanDerWaalsContact NH1-OE2 3.07Å; R82-E85 WeakPolarHBondContact O-CB 3.49Å; R82-E85 PolarHBondContact O-N 2.82Å; R82-Y112 HydrophobicContact CB-CD1 4.33Å; R82-Y112 HydrophobicContact CG-CD1 3.78Å; R82-Y112 VanDerWaalsContact CZ-O 3.24Å; R82-Y112 PolarHBondContact NE-O 3.2Å; R82-Y112 PolarHBondContact NH2-O 3.06Å; R82-R115 VanDerWaalsContact CZ-NE 3.29Å; R82-R115 VanDerWaalsContact NH1-NE 3.18Å; R82-R115 PolarHBondContact NH2-O 3.11Å; R82-P116 PolarHBondContact NH1-O 3.31Å; R82-P116 PolarHBondContact NH2-O 3.47Å; R82-W117 HydrophobicContact CG-CE3 4.48Å; R82-W117 HydrophobicContact CG-CH2 3.93Å; R82-W117 HydrophobicContact CG-CZ3 3.58Å |
| 83 | Y | 98.9 | Very high | 98.7 | Very high | 4 Ų | 4 | 14.3 Ų | 14.3 | 2% | 0.016 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -58.6 | -45 | 175 | -170.3 | -100.6 | 0 | 0 | 0 | 111.5 | L55 I58 Q59 C64 I70 A79 A80 M81 E85 T86 H87 V89 | L55-Y83 HydrophobicContact CB-CD2 4.45Å; L55-Y83 HydrophobicContact CG-CD2 4.18Å; I58-Y83 HydrophobicContact CB-CD2 4.43Å; I58-Y83 HydrophobicContact CG2-CD1 4.24Å; I58-Y83 HydrophobicContact CG2-CD2 3.93Å; I58-Y83 HydrophobicContact CG2-CE1 4.24Å; I58-Y83 HydrophobicContact CG2-CE2 3.98Å; I58-Y83 HydrophobicContact CG2-CG 4.08Å; Q59-Y83 HydrophobicContact CB-CE2 4.03Å; Q59-Y83 PolarHBondContact OE1-OH 2.89Å; C64-Y83 HydrophobicContact CB-CE1 3.96Å; I70-Y83 HydrophobicContact CD1-CD1 3.61Å; I70-Y83 HydrophobicContact CD1-CE1 4.22Å; I70-Y83 HydrophobicContact CD1-CG 4.35Å; A79-Y83 WeakPolarHBondContact O-CB 3.43Å; A79-Y83 PolarHBondContact O-N 3.36Å; A80-Y83 PolarHBondContact O-N 3.38Å; M81-Y83 VanDerWaalsContact C-N 3.31Å; M81-Y83 PolarHBondContact O-N 3.2Å; Y83-E85 PolarHBondContact O-N 2.79Å; Y83-T86 PolarHBondContact O-N 3.08Å; Y83-T86 PolarHBondContact O-OG1 3.2Å; Y83-H87 HydrophobicContact CD1-CB 3.95Å; Y83-H87 AromaticContact CD2-ND1 3.78Å; Y83-H87 HydrophobicContact CE1-CB 3.49Å; Y83-H87 VanDerWaalsContact CE1-CB 3.49Å; Y83-H87 AromaticContact CE1-CG 3.8Å; Y83-H87 HydrophobicContact CE2-CB 4.38Å; Y83-H87 AromaticContact CE2-CE1 3.91Å; Y83-H87 AromaticContact CE2-CG 3.77Å; Y83-H87 AromaticContact CE2-ND1 3.58Å; Y83-H87 AromaticContact CZ-CD2 3.91Å; Y83-H87 AromaticContact CZ-CG 3.49Å; Y83-H87 VanDerWaalsContact CZ-CG 3.49Å; Y83-H87 AromaticContact CZ-ND1 3.81Å; Y83-H87 PolarHBondContact O-N 3.04Å; Y83-H87 VanDerWaalsContact O-N 3.11Å; Y83-H87 PolarHBondContact O-ND1 3Å; Y83-V89 HydrophobicContact CD1-CG1 4.09Å; Y83-V89 HydrophobicContact CE1-CG1 3.89Å |
| 84 | A | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -68.5 | -13.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | A80 M81 R82 T86 L92 M122 N125 V126 | A80-A84 WeakPolarHBondContact O-CB 3.45Å; A80-A84 PolarHBondContact O-N 3.47Å; A80-A84 VanDerWaalsContact O-N 3.08Å; M81-A84 PolarHBondContact O-N 2.73Å; M81-A84 VanDerWaalsContact O-N 3.15Å; R82-A84 VanDerWaalsContact C-N 3.3Å; R82-A84 PolarHBondContact O-N 2.83Å; A84-T86 PolarHBondContact O-N 3.29Å; A84-L92 HydrophobicContact CB-CD1 3.94Å; A84-M122 HydrophobicContact CB-CG 4.15Å; A84-N125 WeakPolarHBondContact O-CB 3.43Å; A84-N125 PolarHBondContact O-ND2 2.92Å; A84-V126 HydrophobicContact CB-CG2 3.6Å |
| 85 | E | 98.7 | Very high | 98.7 | Very high | 22 Ų | 22 | 13.7 Ų | 13.7 | 10% | 0.103 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -24.8 | 172.8 | -64.6 | -176 | 155.8 | 0 | 0 | 112.1 | M81 R82 Y83 R115 E118 M122 N125 | M81-E85 PolarHBondContact O-N 3.15Å; R82-E85 VanDerWaalsContact CD-OE2 3.3Å; R82-E85 WeakPolarHBondContact CD-OE2 3.5Å; R82-E85 IonicContact CZ-OE1 2.82Å; R82-E85 IonicContact CZ-OE2 3.91Å; R82-E85 IonicContact NE-OE1 2.96Å; R82-E85 VanDerWaalsContact NH1-CD 3.3Å; R82-E85 IonicContact NH1-OE1 3.8Å; R82-E85 PolarHBondContact NH1-OE1 2.97Å; R82-E85 IonicContact NH1-OE2 3.67Å; R82-E85 PolarHBondContact NH1-OE2 3.22Å; R82-E85 VanDerWaalsContact NH1-OE2 3.07Å; R82-E85 WeakPolarHBondContact O-CB 3.49Å; R82-E85 PolarHBondContact O-N 2.82Å; Y83-E85 PolarHBondContact O-N 2.79Å; E85-R115 IonicContact OE2-NH2 2.61Å; E85-E118 HydrophobicContact CB-CB 4.47Å; E85-E118 HydrophobicContact CG-CB 4Å; E85-E118 PolarHBondContact OE1-N 2.99Å; E85-M122 HydrophobicContact CB-CG 4.49Å; E85-M122 HydrophobicContact CG-CE 4.17Å; E85-M122 HydrophobicContact CG-CG 3.69Å; E85-M122 HydrophobicContact CG-SD 4.12Å; E85-N125 PolarHBondContact O-ND2 2.97Å |
| 86 | T | 98.4 | Very high | 98.7 | Very high | 99 Ų | 99 | 13.7 Ų | 13.7 | 61% | 0.607 | 7% | 0.073 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -129.3 | -12.1 | -170.9 | 49.6 | 0 | 0 | 0 | 0 | 114.7 | Y83 A84 | Y83-T86 PolarHBondContact O-N 3.08Å; Y83-T86 PolarHBondContact O-OG1 3.2Å; A84-T86 PolarHBondContact O-N 3.29Å |
| 87 | H | 98.6 | Very high | 98.7 | Very high | 56 Ų | 56 | 13.7 Ų | 13.7 | 26% | 0.259 | 7% | 0.073 | S | C | . | . | S | Bend | trans | -126.3 | 139.2 | -176.7 | -57.1 | 83.4 | 0 | 0 | 0 | 111.1 | Q59 Y83 N125 | Q59-H87 PolarHBondContact OE1-CD2 3.46Å; Q59-H87 PolarHBondContact OE1-NE2 2.79Å; Y83-H87 HydrophobicContact CD1-CB 3.95Å; Y83-H87 AromaticContact CD2-ND1 3.78Å; Y83-H87 HydrophobicContact CE1-CB 3.49Å; Y83-H87 VanDerWaalsContact CE1-CB 3.49Å; Y83-H87 AromaticContact CE1-CG 3.8Å; Y83-H87 HydrophobicContact CE2-CB 4.38Å; Y83-H87 AromaticContact CE2-CE1 3.91Å; Y83-H87 AromaticContact CE2-CG 3.77Å; Y83-H87 AromaticContact CE2-ND1 3.58Å; Y83-H87 AromaticContact CZ-CD2 3.91Å; Y83-H87 AromaticContact CZ-CG 3.49Å; Y83-H87 VanDerWaalsContact CZ-CG 3.49Å; Y83-H87 AromaticContact CZ-ND1 3.81Å; Y83-H87 PolarHBondContact O-N 3.04Å; Y83-H87 VanDerWaalsContact O-N 3.11Å; Y83-H87 PolarHBondContact O-ND1 3Å; H87-N125 WeakPolarHBondContact O-CB 3.49Å |
| 88 | N | 98.4 | Very high | 98.7 | Very high | 88 Ų | 88 | 13.7 Ų | 13.7 | 47% | 0.471 | 7% | 0.073 | S | C | . | . | trans | -76.2 | 132.9 | 170.8 | -64.7 | -41.1 | 0 | 0 | 0 | 109.8 | N125 | N88-N125 VanDerWaalsContact CA-O 3.31Å; N88-N125 WeakPolarHBondContact CA-O 3.2Å; N88-N125 WeakPolarHBondContact OD1-CA 3.49Å; N88-N125 PolarHBondContact OD1-OD1 3.01Å | ||
| 89 | V | 98.2 | Very high | 98.7 | Very high | 3 Ų | 3 | 15.3 Ų | 15.3 | 2% | 0.018 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 152.3 | 174.3 | -64.4 | 0 | 0 | 0 | 0 | 109.6 | I70 Y83 G91 L92 N125 V126 | I70-V89 HydrophobicContact CD1-CG1 4.03Å; I70-V89 HydrophobicContact CG1-CG1 4.35Å; Y83-V89 HydrophobicContact CD1-CG1 4.09Å; Y83-V89 HydrophobicContact CE1-CG1 3.89Å; V89-G91 VanDerWaalsContact C-N 3.27Å; V89-G91 PolarHBondContact O-N 2.86Å; V89-L92 HydrophobicContact CG2-CD2 4.02Å; V89-L92 HydrophobicContact CG2-CG 4.39Å; V89-N125 PolarHBondContact N-O 3.03Å; V89-N125 VanDerWaalsContact N-O 3.12Å; V89-V126 HydrophobicContact CG2-CB 4.48Å; V89-V126 HydrophobicContact CG2-CG1 4.27Å; V89-V126 HydrophobicContact CG2-CG2 3.78Å |
| 90 | F | 98.3 | Very high | 98.7 | Very high | 13 Ų | 13 | 17 Ų | 17 | 6% | 0.057 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.3 | -45.3 | 179.6 | 180 | -85.8 | 0 | 0 | 0 | 110.7 | M1 L3 E66 T68 G127 H128 L180 A184 | M1-F90 WeakPolarHBondContact O-CD2 3.29Å; M1-F90 VanDerWaalsContact O-CE2 3.25Å; M1-F90 WeakPolarHBondContact O-CE2 3.32Å; L3-F90 HydrophobicContact CB-CD1 3.9Å; L3-F90 HydrophobicContact CB-CD2 4.02Å; L3-F90 HydrophobicContact CB-CE1 3.82Å; L3-F90 HydrophobicContact CB-CE2 3.94Å; L3-F90 HydrophobicContact CB-CG 4.02Å; L3-F90 HydrophobicContact CB-CZ 3.87Å; L3-F90 HydrophobicContact CD1-CB 4.29Å; L3-F90 HydrophobicContact CD1-CD1 3.74Å; L3-F90 HydrophobicContact CD1-CE1 4.37Å; L3-F90 HydrophobicContact CD1-CG 3.99Å; L3-F90 HydrophobicContact CD2-CD1 3.98Å; L3-F90 HydrophobicContact CD2-CE1 3.82Å; L3-F90 HydrophobicContact CG-CD1 4.07Å; L3-F90 HydrophobicContact CG-CE1 4.21Å; L3-F90 HydrophobicContact CG-CG 4.48Å; E66-F90 WeakPolarHBondContact O-CA 3.23Å; E66-F90 WeakPolarHBondContact O-CB 3.41Å; E66-F90 PolarHBondContact O-N 3.08Å; T68-F90 WeakPolarHBondContact O-CB 3.36Å; T68-F90 PolarHBondContact O-N 3.43Å; F90-G127 PolarHBondContact O-N 3.1Å; F90-H128 AromaticContact CE1-CD2 3.45Å; F90-H128 VanDerWaalsContact CE1-CD2 3.45Å; F90-H128 WeakPolarHBondContact CE1-CD2 3.26Å; F90-H128 AromaticContact CZ-CD2 3.51Å; F90-H128 AromaticContact CZ-NE2 3.68Å; F90-H128 PolarHBondContact O-N 3.33Å; F90-L180 HydrophobicContact CE1-CB 4.26Å; F90-A184 HydrophobicContact CE1-CB 4.48Å; F90-A184 HydrophobicContact CE2-CB 3.52Å; F90-A184 HydrophobicContact CZ-CB 3.4Å |
| 91 | G | 98.3 | Very high | 98.6 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.5 | 167 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | T68 V69 I70 V89 H128 | T68-G91 PolarHBondContact O-N 2.96Å; V69-G91 WeakPolarHBondContact CA-O 3.42Å; I70-G91 PolarHBondContact N-O 3Å; V89-G91 VanDerWaalsContact C-N 3.27Å; V89-G91 PolarHBondContact O-N 2.86Å; G91-H128 CarbonylContact C-O 3.55Å; G91-H128 WeakPolarHBondContact CA-O 3.5Å |
| 92 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 133.7 | 170.6 | -63 | -178.8 | 0 | 0 | 0 | 109.6 | I70 A80 A84 V89 L94 V126 H128 I129 V130 | I70-L92 HydrophobicContact CB-CD2 3.79Å; I70-L92 HydrophobicContact CD1-CD2 4.17Å; I70-L92 HydrophobicContact CG1-CD2 4.14Å; I70-L92 WeakPolarHBondContact O-CA 3.42Å; A80-L92 HydrophobicContact CB-CD2 4.09Å; A84-L92 HydrophobicContact CB-CD1 3.94Å; V89-L92 HydrophobicContact CG2-CD2 4.02Å; V89-L92 HydrophobicContact CG2-CG 4.39Å; L92-L94 HydrophobicContact CB-CD2 4.13Å; L92-L94 HydrophobicContact CB-CG 4.2Å; L92-L94 HydrophobicContact CD1-CD2 4.42Å; L92-V126 HydrophobicContact CB-CG1 4.39Å; L92-V126 HydrophobicContact CD1-CG1 4.44Å; L92-V126 HydrophobicContact CD1-CG2 3.94Å; L92-V126 HydrophobicContact CG-CG1 3.9Å; L92-V126 HydrophobicContact CG-CG2 4.03Å; L92-H128 PolarHBondContact N-O 2.99Å; L92-I129 HydrophobicContact CB-CG2 4.38Å; L92-I129 WeakPolarHBondContact O-CA 3.46Å; L92-V130 PolarHBondContact O-N 3.2Å |
| 93 | I | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 110.6 | 161.6 | -55.9 | 179.6 | 0 | 0 | 0 | 107.7 | V69 I70 I71 G72 V130 F132 L173 A176 V177 L180 | V69-I93 HydrophobicContact CG2-CD1 4.16Å; V69-I93 HydrophobicContact CG2-CG1 3.89Å; I70-I93 PolarHBondContact O-N 2.69Å; I71-I93 CarbonylContact C-O 3.55Å; I71-I93 WeakPolarHBondContact CA-O 3.49Å; I71-I93 HydrophobicContact CG1-CB 4.28Å; I71-I93 HydrophobicContact CG1-CD1 4.31Å; I71-I93 HydrophobicContact CG2-CB 4.29Å; I71-I93 HydrophobicContact CG2-CG2 4.42Å; G72-I93 PolarHBondContact N-O 3.22Å; I93-V130 CarbonylContact C-O 3.59Å; I93-V130 WeakPolarHBondContact CA-O 3.4Å; I93-V130 HydrophobicContact CG1-CB 4.36Å; I93-F132 HydrophobicContact CG2-CD2 3.78Å; I93-F132 HydrophobicContact CG2-CE2 3.58Å; I93-L173 HydrophobicContact CB-CD1 4.36Å; I93-L173 HydrophobicContact CD1-CD1 4.11Å; I93-L173 HydrophobicContact CG2-CD1 3.51Å; I93-A176 HydrophobicContact CD1-CB 4.32Å; I93-V177 HydrophobicContact CD1-CG2 3.61Å; I93-L180 HydrophobicContact CD1-CD1 4Å; I93-L180 HydrophobicContact CG1-CD1 4.03Å |
| 94 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 121 | -173.5 | -57.1 | 179.6 | 0 | 0 | 0 | 109.7 | A77 A80 M81 L92 A97 I129 V130 Q131 F132 V148 L152 | A77-L94 HydrophobicContact CB-CB 4.41Å; A77-L94 HydrophobicContact CB-CD2 4.1Å; A80-L94 HydrophobicContact CB-CD2 4.1Å; M81-L94 HydrophobicContact CG-CD1 3.89Å; M81-L94 HydrophobicContact CG-CD2 4.18Å; M81-L94 HydrophobicContact SD-CD1 4.02Å; L92-L94 HydrophobicContact CB-CD2 4.13Å; L92-L94 HydrophobicContact CB-CG 4.2Å; L92-L94 HydrophobicContact CD1-CD2 4.42Å; L94-A97 HydrophobicContact CB-CB 4.03Å; L94-A97 HydrophobicContact CD1-CB 4.4Å; L94-I129 HydrophobicContact CD1-CG2 4.43Å; L94-V130 PolarHBondContact N-O 3.21Å; L94-Q131 HydrophobicContact CB-CB 4.46Å; L94-Q131 HydrophobicContact CB-CG 4.27Å; L94-Q131 CarbonylContact O-C 3.59Å; L94-Q131 VanDerWaalsContact O-CA 3.27Å; L94-Q131 WeakPolarHBondContact O-CA 3.41Å; L94-F132 PolarHBondContact O-N 2.59Å; L94-V148 HydrophobicContact CD1-CG1 3.96Å; L94-L152 HydrophobicContact CD1-CD1 3.49Å; L94-L152 VanDerWaalsContact CD1-CD1 3.49Å |
| 95 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 118.6 | 178.8 | -173.8 | 0 | 0 | 0 | 0 | 108.2 | W22 G72 H73 S74 F132 F165 F170 | W22-V95 HydrophobicContact CH2-CG2 4.47Å; W22-V95 HydrophobicContact CZ2-CB 4.33Å; W22-V95 HydrophobicContact CZ2-CG1 4.42Å; W22-V95 HydrophobicContact CZ2-CG2 4.03Å; G72-V95 PolarHBondContact O-N 2.76Å; H73-V95 CarbonylContact C-O 3.55Å; H73-V95 WeakPolarHBondContact CA-O 3.41Å; H73-V95 HydrophobicContact CB-CB 4.46Å; H73-V95 PolarHBondContact CD2-O 2.75Å; S74-V95 PolarHBondContact N-O 3.14Å; V95-F132 HydrophobicContact CG1-CB 4.34Å; V95-F132 HydrophobicContact CG2-CB 4.3Å; V95-F132 HydrophobicContact CG2-CD2 4.23Å; V95-F165 HydrophobicContact CG1-CB 3.59Å; V95-F165 HydrophobicContact CG1-CD1 3.89Å; V95-F165 HydrophobicContact CG1-CD2 3.74Å; V95-F165 HydrophobicContact CG1-CE2 4.39Å; V95-F165 HydrophobicContact CG1-CG 3.45Å; V95-F165 VanDerWaalsContact CG1-CG 3.45Å; V95-F170 HydrophobicContact CG1-CE1 3.84Å; V95-F170 HydrophobicContact CG2-CE1 3.96Å |
| 96 | G | 98.5 | Very high | 98.4 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | S | Bend | trans | 59.9 | 53 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | S74 F132 L140 | S74-G96 WeakPolarHBondContact CA-O 3.5Å; G96-F132 PolarHBondContact N-O 2.92Å; G96-L140 VanDerWaalsContact C-CD1 3.49Å; G96-L140 WeakPolarHBondContact O-CD1 3.49Å |
| 97 | A | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | -85 | 149.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A77 M81 L94 Q145 V148 | A77-A97 HydrophobicContact CB-CB 3.9Å; M81-A97 HydrophobicContact CE-CB 4.38Å; L94-A97 HydrophobicContact CB-CB 4.03Å; L94-A97 HydrophobicContact CD1-CB 4.4Å; A97-Q145 WeakPolarHBondContact O-CA 3.33Å; A97-Q145 WeakPolarHBondContact O-CG 3.4Å; A97-V148 HydrophobicContact CB-CB 4.24Å; A97-V148 HydrophobicContact CB-CG1 3.85Å; A97-V148 HydrophobicContact CB-CG2 4.04Å | ||
| 98 | Y | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 0% | 0.004 | 19% | 0.193 | C | C | . | . | trans | -151 | 176.2 | -174.5 | 59.2 | -74.5 | 0 | 0 | 0 | 110.1 | M81 S100 L102 E107 F113 L140 | M81-Y98 WeakPolarHBondContact CE-O 3.33Å; Y98-S100 VanDerWaalsContact CD2-O 3.24Å; Y98-S100 WeakPolarHBondContact CD2-O 3.34Å; Y98-S100 WeakPolarHBondContact CE2-O 3.47Å; Y98-L102 HydrophobicContact CD2-CD1 4.18Å; Y98-L102 HydrophobicContact CD2-CG 4.35Å; Y98-L102 HydrophobicContact CE2-CD1 4.41Å; Y98-E107 WeakPolarHBondContact CE2-OE2 3.45Å; Y98-E107 VanDerWaalsContact OH-CD 3.26Å; Y98-E107 PolarHBondContact OH-OE1 3.24Å; Y98-E107 PolarHBondContact OH-OE2 3.43Å; Y98-F113 AromaticContact CD2-CE1 3.87Å; Y98-F113 HydrophobicContact CD2-CE1 3.87Å; Y98-F113 AromaticContact CD2-CZ 3.88Å; Y98-F113 HydrophobicContact CD2-CZ 3.88Å; Y98-F113 AromaticContact CE2-CE1 3.62Å; Y98-F113 HydrophobicContact CE2-CE1 3.62Å; Y98-F113 AromaticContact CE2-CE2 3.88Å; Y98-F113 HydrophobicContact CE2-CE2 3.88Å; Y98-F113 AromaticContact CE2-CZ 3.12Å; Y98-F113 HydrophobicContact CE2-CZ 3.12Å; Y98-F113 AromaticContact CZ-CZ 3.55Å; Y98-L140 HydrophobicContact CD1-CD1 3.79Å; Y98-L140 HydrophobicContact CD1-CD2 3.72Å; Y98-L140 HydrophobicContact CD1-CG 4.43Å; Y98-L140 HydrophobicContact CD2-CD2 4.2Å; Y98-L140 HydrophobicContact CE1-CD2 4.28Å; Y98-L140 HydrophobicContact CG-CD1 4.29Å; Y98-L140 HydrophobicContact CG-CD2 3.72Å | ||
| 99 | T | 98.7 | Very high | 98.3 | Very high | 33 Ų | 33 | 35 Ų | 35 | 20% | 0.202 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -126.1 | -17.3 | -163.2 | 57 | 0 | 0 | 0 | 0 | 115.5 | F113 W117 W119 E144 A147 V148 | T99-F113 WeakPolarHBondContact O-CD1 3.42Å; T99-W117 PolarHBondContact O-NE1 2.56Å; T99-W119 HydrophobicContact CG2-CH2 4.08Å; T99-W119 HydrophobicContact CG2-CZ2 4.18Å; T99-E144 WeakPolarHBondContact CA-OE2 3.47Å; T99-E144 PolarHBondContact N-OE2 3.26Å; T99-E144 PolarHBondContact OG1-OE2 3.23Å; T99-A147 HydrophobicContact CG2-CB 4.04Å; T99-V148 HydrophobicContact CG2-CG2 3.55Å |
| 100 | S | 98.6 | Very high | 98.4 | Very high | 36 Ų | 36 | 35.1 Ų | 35.1 | 25% | 0.252 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -125.7 | 171.1 | -178.1 | 84.4 | 0 | 0 | 0 | 0 | 112.4 | Y98 L102 F113 E144 | Y98-S100 VanDerWaalsContact CD2-O 3.24Å; Y98-S100 WeakPolarHBondContact CD2-O 3.34Å; Y98-S100 WeakPolarHBondContact CE2-O 3.47Å; S100-L102 PolarHBondContact O-N 2.95Å; S100-L102 PolarHBondContact OG-N 3.13Å; S100-F113 VanDerWaalsContact C-CG 3.45Å; S100-F113 WeakPolarHBondContact O-CD1 3.26Å; S100-F113 WeakPolarHBondContact O-CE1 3.21Å; S100-E144 WeakPolarHBondContact CB-OE1 3.17Å; S100-E144 PolarHBondContact N-OE2 3.21Å; S100-E144 PolarHBondContact OG-OE1 3.22Å; S100-E144 PolarHBondContact OG-OE2 2.84Å |
| 101 | D | 98 | Very high | 98.4 | Very high | 46 Ų | 46 | 35.5 Ų | 35.5 | 25% | 0.246 | 20% | 0.199 | C | C | . | . | trans | -75.1 | -0.5 | 171.6 | 60.4 | 22.5 | 0 | 0 | 0 | 113.1 | G103 D104 E107 R108 F113 | D101-G103 PolarHBondContact O-N 3.26Å; D101-G103 PolarHBondContact OD1-N 3.24Å; D101-D104 WeakPolarHBondContact O-CB 3.34Å; D101-D104 PolarHBondContact O-N 2.91Å; D101-E107 HydrophobicContact CB-CB 3.99Å; D101-E107 WeakPolarHBondContact O-CB 3.45Å; D101-R108 HydrophobicContact CB-CB 4.1Å; D101-F113 HydrophobicContact CB-CB 4.17Å; D101-F113 HydrophobicContact CB-CD2 4.01Å; D101-F113 HydrophobicContact CB-CG 4.29Å | ||
| 102 | L | 97.2 | Very high | 98.4 | Very high | 63 Ų | 63 | 35.5 Ų | 35.5 | 33% | 0.33 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 17 | -179.8 | -52.8 | 171.8 | 0 | 0 | 0 | 113.9 | Y98 S100 D104 L140 P141 E144 | Y98-L102 HydrophobicContact CD2-CD1 4.18Å; Y98-L102 HydrophobicContact CD2-CG 4.35Å; Y98-L102 HydrophobicContact CE2-CD1 4.41Å; S100-L102 PolarHBondContact O-N 2.95Å; S100-L102 PolarHBondContact OG-N 3.13Å; L102-D104 PolarHBondContact O-N 3.43Å; L102-L140 HydrophobicContact CD1-CD2 3.62Å; L102-P141 HydrophobicContact CD2-CG 4.16Å; L102-E144 VanDerWaalsContact CD2-OE1 3.26Å; L102-E144 WeakPolarHBondContact CD2-OE1 3.22Å |
| 103 | G | 97.6 | Very high | 98.4 | Very high | 73 Ų | 73 | 36.8 Ų | 36.8 | 75% | 0.753 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 69.9 | 12.9 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | D101 | D101-G103 PolarHBondContact O-N 3.26Å; D101-G103 PolarHBondContact OD1-N 3.24Å |
| 104 | D | 97.9 | Very high | 98.3 | Very high | 80 Ų | 80 | 41.4 Ų | 41.4 | 43% | 0.428 | 24% | 0.237 | S | C | . | . | trans | -88.5 | 131.8 | 174.9 | -177.6 | -85 | 0 | 0 | 0 | 111 | D101 L102 N106 E107 R108 | D101-D104 WeakPolarHBondContact O-CB 3.34Å; D101-D104 PolarHBondContact O-N 2.91Å; L102-D104 PolarHBondContact O-N 3.43Å; D104-N106 WeakPolarHBondContact OD1-CA 3.11Å; D104-N106 VanDerWaalsContact OD1-CB 3.31Å; D104-N106 WeakPolarHBondContact OD1-CB 3.48Å; D104-N106 PolarHBondContact OD1-N 3.36Å; D104-E107 HydrophobicContact CB-CB 4.06Å; D104-E107 HydrophobicContact CB-CG 3.99Å; D104-E107 PolarHBondContact OD1-N 3.24Å; D104-R108 WeakPolarHBondContact O-CB 3.38Å; D104-R108 PolarHBondContact O-N 3.4Å | ||
| 105 | E | 97.9 | Very high | 98.3 | Very high | 93 Ų | 93 | 45.1 Ų | 45.1 | 44% | 0.435 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -68.2 | -37.2 | -176.3 | -177.8 | 60.9 | -158.1 | 0 | 0 | 112.5 | R108 E109 | E105-R108 PolarHBondContact O-N 3.25Å; E105-R108 IonicContact OE1-CZ 3.96Å; E105-R108 IonicContact OE1-NE 3.62Å; E105-R108 IonicContact OE1-NH1 3.64Å; E105-R108 IonicContact OE1-NH2 2.64Å; E105-R108 PolarHBondContact OE1-NH2 3.45Å; E105-R108 IonicContact OE2-CZ 3.21Å; E105-R108 IonicContact OE2-NE 2.74Å; E105-R108 PolarHBondContact OE2-NE 3.26Å; E105-R108 IonicContact OE2-NH2 2.57Å; E105-R108 PolarHBondContact OE2-NH2 2.88Å; E105-E109 WeakPolarHBondContact O-CB 3.25Å; E105-E109 WeakPolarHBondContact O-CG 3.43Å; E105-E109 PolarHBondContact O-N 3.16Å |
| 106 | N | 97.6 | Very high | 98.3 | Very high | 43 Ų | 43 | 49.9 Ų | 49.9 | 23% | 0.23 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -71.6 | -39.1 | 179.8 | -175.9 | 74.8 | 0 | 0 | 0 | 110.8 | V47 T48 D104 R108 E109 S110 | V47-N106 PolarHBondContact O-ND2 2.99Å; T48-N106 WeakPolarHBondContact CA-OD1 3.34Å; T48-N106 PolarHBondContact OG1-OD1 2.61Å; D104-N106 WeakPolarHBondContact OD1-CA 3.11Å; D104-N106 VanDerWaalsContact OD1-CB 3.31Å; D104-N106 WeakPolarHBondContact OD1-CB 3.48Å; D104-N106 PolarHBondContact OD1-N 3.36Å; N106-R108 VanDerWaalsContact C-N 3.33Å; N106-E109 PolarHBondContact O-N 3.37Å; N106-S110 PolarHBondContact O-N 3.42Å |
| 107 | E | 98.3 | Very high | 98.3 | Very high | 22 Ų | 22 | 51 Ų | 51 | 10% | 0.103 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.6 | -41.3 | 170.6 | -70.3 | -62.6 | 138.7 | 0 | 0 | 111.4 | N12 Y98 D101 D104 S110 F113 | N12-E107 PolarHBondContact ND2-OE1 3.39Å; Y98-E107 WeakPolarHBondContact CE2-OE2 3.45Å; Y98-E107 VanDerWaalsContact OH-CD 3.26Å; Y98-E107 PolarHBondContact OH-OE1 3.24Å; Y98-E107 PolarHBondContact OH-OE2 3.43Å; D101-E107 HydrophobicContact CB-CB 3.99Å; D101-E107 WeakPolarHBondContact O-CB 3.45Å; D104-E107 HydrophobicContact CB-CB 4.06Å; D104-E107 HydrophobicContact CB-CG 3.99Å; D104-E107 PolarHBondContact OD1-N 3.24Å; E107-S110 VanDerWaalsContact O-CB 3.31Å; E107-S110 WeakPolarHBondContact O-CB 3.31Å; E107-S110 PolarHBondContact O-N 3.49Å; E107-S110 PolarHBondContact O-OG 3Å; E107-F113 HydrophobicContact CB-CD2 4.49Å; E107-F113 HydrophobicContact CB-CE2 4.28Å; E107-F113 WeakPolarHBondContact OE2-CE2 3.32Å |
| 108 | R | 98.4 | Very high | 98.3 | Very high | 138 Ų | 138 | 55.8 Ų | 55.8 | 52% | 0.521 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.9 | -43.1 | 174.6 | -171.9 | 174.4 | 68.6 | 84.4 | -13.8 | 112.1 | D101 D104 E105 N106 S110 G111 | D101-R108 HydrophobicContact CB-CB 4.1Å; D104-R108 WeakPolarHBondContact O-CB 3.38Å; D104-R108 PolarHBondContact O-N 3.4Å; E105-R108 PolarHBondContact O-N 3.25Å; E105-R108 IonicContact OE1-CZ 3.96Å; E105-R108 IonicContact OE1-NE 3.62Å; E105-R108 IonicContact OE1-NH1 3.64Å; E105-R108 IonicContact OE1-NH2 2.64Å; E105-R108 PolarHBondContact OE1-NH2 3.45Å; E105-R108 IonicContact OE2-CZ 3.21Å; E105-R108 IonicContact OE2-NE 2.74Å; E105-R108 PolarHBondContact OE2-NE 3.26Å; E105-R108 IonicContact OE2-NH2 2.57Å; E105-R108 PolarHBondContact OE2-NH2 2.88Å; N106-R108 VanDerWaalsContact C-N 3.33Å; R108-S110 VanDerWaalsContact C-N 3.25Å; R108-S110 PolarHBondContact O-N 2.9Å; R108-G111 PolarHBondContact O-N 3.07Å |
| 109 | E | 98.4 | Very high | 98.3 | Very high | 92 Ų | 92 | 58.6 Ų | 58.6 | 43% | 0.43 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -66.3 | -23.5 | 177.3 | -77.7 | -167.6 | -178 | 0 | 0 | 113.7 | T48 R50 E105 N106 G111 | T48-E109 HydrophobicContact CG2-CB 3.76Å; R50-E109 IonicContact NH2-OE2 4Å; R50-E109 PolarHBondContact NH2-OE2 3.1Å; E105-E109 WeakPolarHBondContact O-CB 3.25Å; E105-E109 WeakPolarHBondContact O-CG 3.43Å; E105-E109 PolarHBondContact O-N 3.16Å; N106-E109 PolarHBondContact O-N 3.37Å; E109-G111 PolarHBondContact O-N 3.37Å |
| 110 | S | 98.6 | Very high | 98.3 | Very high | 4 Ų | 4 | 61.8 Ų | 61.8 | 3% | 0.028 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.4 | -28.7 | 175.3 | 79.2 | 0 | 0 | 0 | 0 | 112.4 | T48 R50 E51 N106 E107 R108 Y112 | T48-S110 VanDerWaalsContact O-CB 3.26Å; T48-S110 WeakPolarHBondContact O-CB 3.37Å; R50-S110 WeakPolarHBondContact CA-O 3.26Å; E51-S110 PolarHBondContact N-O 2.97Å; N106-S110 PolarHBondContact O-N 3.42Å; E107-S110 VanDerWaalsContact O-CB 3.31Å; E107-S110 WeakPolarHBondContact O-CB 3.31Å; E107-S110 PolarHBondContact O-N 3.49Å; E107-S110 PolarHBondContact O-OG 3Å; R108-S110 VanDerWaalsContact C-N 3.25Å; R108-S110 PolarHBondContact O-N 2.9Å; S110-Y112 VanDerWaalsContact C-N 3.32Å; S110-Y112 PolarHBondContact O-N 3.08Å; S110-Y112 VanDerWaalsContact OG-CD2 3.22Å; S110-Y112 WeakPolarHBondContact OG-CD2 3.41Å; S110-Y112 PolarHBondContact OG-N 3.28Å |
| 111 | G | 98.6 | Very high | 98.3 | Very high | 22 Ų | 22 | 63.3 Ų | 63.3 | 23% | 0.227 | 34% | 0.335 | C | S | . | . | S | Bend | trans | 86.7 | -12.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | R108 E109 F113 S114 R115 | R108-G111 PolarHBondContact O-N 3.07Å; E109-G111 PolarHBondContact O-N 3.37Å; G111-F113 VanDerWaalsContact C-N 3.26Å; G111-F113 PolarHBondContact O-N 3.12Å; G111-S114 PolarHBondContact O-N 3.36Å; G111-S114 PolarHBondContact O-OG 3.2Å; G111-R115 PolarHBondContact O-NH1 2.79Å |
| 112 | Y | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -29.5 | -176 | -66.6 | -55.8 | 0 | 0 | 0 | 114.1 | A49 E51 W54 L55 A78 A79 R82 S110 R115 | A49-Y112 WeakPolarHBondContact O-CE2 3.22Å; A49-Y112 PolarHBondContact O-OH 3.04Å; E51-Y112 HydrophobicContact CB-CD1 3.64Å; E51-Y112 HydrophobicContact CB-CE1 3.44Å; E51-Y112 VanDerWaalsContact CB-CE1 3.44Å; E51-Y112 HydrophobicContact CB-CG 4.43Å; E51-Y112 HydrophobicContact CG-CD1 3.83Å; E51-Y112 HydrophobicContact CG-CE1 3.66Å; W54-Y112 WeakPolarHBondContact CB-OH 3.37Å; L55-Y112 HydrophobicContact CD1-CE1 3.86Å; A78-Y112 HydrophobicContact CB-CD2 4Å; A78-Y112 HydrophobicContact CB-CG 4.03Å; A79-Y112 HydrophobicContact CB-CE1 3.98Å; A79-Y112 VanDerWaalsContact CB-OH 3.25Å; A79-Y112 WeakPolarHBondContact CB-OH 3.32Å; R82-Y112 HydrophobicContact CB-CD1 4.33Å; R82-Y112 HydrophobicContact CG-CD1 3.78Å; R82-Y112 VanDerWaalsContact CZ-O 3.24Å; R82-Y112 PolarHBondContact NE-O 3.2Å; R82-Y112 PolarHBondContact NH2-O 3.06Å; S110-Y112 VanDerWaalsContact C-N 3.32Å; S110-Y112 PolarHBondContact O-N 3.08Å; S110-Y112 VanDerWaalsContact OG-CD2 3.22Å; S110-Y112 WeakPolarHBondContact OG-CD2 3.41Å; S110-Y112 PolarHBondContact OG-N 3.28Å; Y112-R115 PolarHBondContact O-NH1 3.26Å |
| 113 | F | 98.5 | Very high | 98.3 | Very high | 27 Ų | 27 | 63 Ų | 63 | 12% | 0.118 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | 7.8 | -170.8 | -47 | -76.3 | 0 | 0 | 0 | 113.5 | A78 Y98 T99 S100 D101 E107 G111 R115 W117 | A78-F113 HydrophobicContact CB-CE1 4.33Å; A78-F113 HydrophobicContact CB-CZ 3.92Å; Y98-F113 AromaticContact CD2-CE1 3.87Å; Y98-F113 HydrophobicContact CD2-CE1 3.87Å; Y98-F113 AromaticContact CD2-CZ 3.88Å; Y98-F113 HydrophobicContact CD2-CZ 3.88Å; Y98-F113 AromaticContact CE2-CE1 3.62Å; Y98-F113 HydrophobicContact CE2-CE1 3.62Å; Y98-F113 AromaticContact CE2-CE2 3.88Å; Y98-F113 HydrophobicContact CE2-CE2 3.88Å; Y98-F113 AromaticContact CE2-CZ 3.12Å; Y98-F113 HydrophobicContact CE2-CZ 3.12Å; Y98-F113 AromaticContact CZ-CZ 3.55Å; T99-F113 WeakPolarHBondContact O-CD1 3.42Å; S100-F113 VanDerWaalsContact C-CG 3.45Å; S100-F113 WeakPolarHBondContact O-CD1 3.26Å; S100-F113 WeakPolarHBondContact O-CE1 3.21Å; D101-F113 HydrophobicContact CB-CB 4.17Å; D101-F113 HydrophobicContact CB-CD2 4.01Å; D101-F113 HydrophobicContact CB-CG 4.29Å; E107-F113 HydrophobicContact CB-CD2 4.49Å; E107-F113 HydrophobicContact CB-CE2 4.28Å; E107-F113 WeakPolarHBondContact OE2-CE2 3.32Å; G111-F113 VanDerWaalsContact C-N 3.26Å; G111-F113 PolarHBondContact O-N 3.12Å; F113-R115 PolarHBondContact O-N 2.99Å; F113-W117 AromaticContact CD1-CZ2 3.76Å; F113-W117 HydrophobicContact CD1-CZ2 3.76Å; F113-W117 HydrophobicContact CE1-CH2 4.47Å; F113-W117 AromaticContact CE1-CZ2 3.67Å; F113-W117 HydrophobicContact CE1-CZ2 3.67Å |
| 114 | S | 97.6 | Very high | 98.4 | Very high | 96 Ų | 96 | 67.7 Ų | 67.7 | 67% | 0.671 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -73.4 | -8.4 | -174.8 | 59.1 | 0 | 0 | 0 | 0 | 115.3 | G111 | G111-S114 PolarHBondContact O-N 3.36Å; G111-S114 PolarHBondContact O-OG 3.2Å |
| 115 | R | 98.6 | Very high | 98.4 | Very high | 78 Ų | 78 | 65.3 Ų | 65.3 | 29% | 0.294 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -150.1 | 163.9 | 178.5 | 74.9 | -75.9 | -179.6 | -159.1 | 3.9 | 111.1 | E51 R82 E85 G111 Y112 F113 | E51-R115 VanDerWaalsContact CD-NH2 3.26Å; E51-R115 IonicContact OE1-CZ 3.85Å; E51-R115 IonicContact OE1-NH1 3.99Å; E51-R115 IonicContact OE1-NH2 3.24Å; E51-R115 PolarHBondContact OE1-NH2 3.5Å; E51-R115 IonicContact OE2-CZ 3.25Å; E51-R115 VanDerWaalsContact OE2-CZ 3.28Å; E51-R115 IonicContact OE2-NH1 2.76Å; E51-R115 PolarHBondContact OE2-NH1 3.2Å; E51-R115 IonicContact OE2-NH2 3.76Å; E51-R115 PolarHBondContact OE2-NH2 2.97Å; E51-R115 VanDerWaalsContact OE2-NH2 3.14Å; R82-R115 VanDerWaalsContact CZ-NE 3.29Å; R82-R115 VanDerWaalsContact NH1-NE 3.18Å; R82-R115 PolarHBondContact NH2-O 3.11Å; E85-R115 IonicContact OE2-NH2 2.61Å; G111-R115 PolarHBondContact O-NH1 2.79Å; Y112-R115 PolarHBondContact O-NH1 3.26Å; F113-R115 PolarHBondContact O-N 2.99Å |
| 116 | P | 98.5 | Very high | 98.4 | Very high | 101 Ų | 101 | 61.4 Ų | 61.4 | 66% | 0.656 | 29% | 0.291 | S | S | * | . | trans | -54.9 | 155.5 | 175.3 | -25.9 | 36 | 0 | 0 | 0 | 113.2 | R82 | R82-P116 PolarHBondContact NH1-O 3.31Å; R82-P116 PolarHBondContact NH2-O 3.47Å | ||
| 117 | W | 98.8 | Very high | 98.3 | Very high | 24 Ų | 24 | 62.1 Ų | 62.1 | 9% | 0.091 | 31% | 0.309 | C | S | . | . | trans | -83.4 | 130.2 | 174.1 | -68.8 | 98.5 | 0 | 0 | 0 | 110.5 | A78 M81 R82 T99 F113 W119 M122 | A78-W117 HydrophobicContact CB-CH2 4.15Å; M81-W117 HydrophobicContact CB-CE3 4.08Å; M81-W117 HydrophobicContact CB-CH2 4.24Å; M81-W117 HydrophobicContact CB-CZ3 3.47Å; M81-W117 VanDerWaalsContact CB-CZ3 3.47Å; M81-W117 HydrophobicContact CE-CE3 4.48Å; M81-W117 HydrophobicContact CE-CH2 3.72Å; M81-W117 HydrophobicContact CE-CZ2 4.12Å; M81-W117 HydrophobicContact CE-CZ3 3.91Å; M81-W117 HydrophobicContact SD-CZ3 4.49Å; R82-W117 HydrophobicContact CG-CE3 4.48Å; R82-W117 HydrophobicContact CG-CH2 3.93Å; R82-W117 HydrophobicContact CG-CZ3 3.58Å; T99-W117 PolarHBondContact O-NE1 2.56Å; F113-W117 AromaticContact CD1-CZ2 3.76Å; F113-W117 HydrophobicContact CD1-CZ2 3.76Å; F113-W117 HydrophobicContact CE1-CH2 4.47Å; F113-W117 AromaticContact CE1-CZ2 3.67Å; F113-W117 HydrophobicContact CE1-CZ2 3.67Å; W117-W119 VanDerWaalsContact C-N 3.26Å; W117-W119 HydrophobicContact CB-CD2 3.77Å; W117-W119 HydrophobicContact CB-CE3 4.02Å; W117-W119 HydrophobicContact CB-CH2 3.53Å; W117-W119 HydrophobicContact CB-CZ2 3.28Å; W117-W119 HydrophobicContact CB-CZ3 3.9Å; W117-W119 AromaticContact CD1-CH2 3.89Å; W117-W119 AromaticContact CD1-CZ2 3.71Å; W117-W119 HydrophobicContact CD2-CH2 4.06Å; W117-W119 AromaticContact CG-CH2 3.54Å; W117-W119 HydrophobicContact CG-CH2 3.54Å; W117-W119 AromaticContact CG-CZ2 3.55Å; W117-W119 HydrophobicContact CG-CZ2 3.55Å; W117-W119 HydrophobicContact CG-CZ3 4.19Å; W117-W119 PolarHBondContact O-N 3.48Å; W117-M122 HydrophobicContact CB-CE 4.06Å; W117-M122 HydrophobicContact CE3-CE 3.95Å | ||
| 118 | E | 98.6 | Very high | 98.2 | Very high | 99 Ų | 99 | 64.3 Ų | 64.3 | 46% | 0.463 | 32% | 0.319 | S | S | . | . | trans | -85.8 | 64.4 | -177.8 | -64.7 | -65 | 153.5 | 0 | 0 | 111.1 | E85 E120 Q121 M122 | E85-E118 HydrophobicContact CB-CB 4.47Å; E85-E118 HydrophobicContact CG-CB 4Å; E85-E118 PolarHBondContact OE1-N 2.99Å; E118-E120 VanDerWaalsContact C-N 3.32Å; E118-E120 PolarHBondContact O-N 3.06Å; E118-Q121 HydrophobicContact CB-CB 3.99Å; E118-Q121 HydrophobicContact CB-CG 4.13Å; E118-Q121 WeakPolarHBondContact O-CB 3.41Å; E118-Q121 PolarHBondContact O-N 3.48Å; E118-M122 PolarHBondContact O-N 3.36Å | ||
| 119 | W | 98.7 | Very high | 98.2 | Very high | 61 Ų | 61 | 58.6 Ų | 58.6 | 23% | 0.231 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -50.9 | -44.2 | -173.9 | -57.5 | 125.4 | 0 | 0 | 0 | 114.6 | M81 T99 W117 Q121 M122 R123 V148 G151 L152 | M81-W119 HydrophobicContact SD-CZ3 4.23Å; T99-W119 HydrophobicContact CG2-CH2 4.08Å; T99-W119 HydrophobicContact CG2-CZ2 4.18Å; W117-W119 VanDerWaalsContact C-N 3.26Å; W117-W119 HydrophobicContact CB-CD2 3.77Å; W117-W119 HydrophobicContact CB-CE3 4.02Å; W117-W119 HydrophobicContact CB-CH2 3.53Å; W117-W119 HydrophobicContact CB-CZ2 3.28Å; W117-W119 HydrophobicContact CB-CZ3 3.9Å; W117-W119 AromaticContact CD1-CH2 3.89Å; W117-W119 AromaticContact CD1-CZ2 3.71Å; W117-W119 HydrophobicContact CD2-CH2 4.06Å; W117-W119 AromaticContact CG-CH2 3.54Å; W117-W119 HydrophobicContact CG-CH2 3.54Å; W117-W119 AromaticContact CG-CZ2 3.55Å; W117-W119 HydrophobicContact CG-CZ2 3.55Å; W117-W119 HydrophobicContact CG-CZ3 4.19Å; W117-W119 PolarHBondContact O-N 3.48Å; W119-Q121 VanDerWaalsContact C-N 3.33Å; W119-M122 HydrophobicContact CD2-CE 4.16Å; W119-M122 HydrophobicContact CE3-CE 3.38Å; W119-M122 HydrophobicContact CZ3-CE 3.68Å; W119-R123 WeakPolarHBondContact O-CB 3.26Å; W119-R123 PolarHBondContact O-N 3.08Å; W119-V148 HydrophobicContact CH2-CG2 4.4Å; W119-G151 WeakPolarHBondContact CB-O 3.49Å; W119-L152 HydrophobicContact CE3-CD2 3.76Å; W119-L152 HydrophobicContact CE3-CG 3.92Å; W119-L152 HydrophobicContact CZ3-CD2 4.16Å; W119-L152 HydrophobicContact CZ3-CG 3.99Å |
| 120 | E | 98.4 | Very high | 98.3 | Very high | 99 Ų | 99 | 54.8 Ų | 54.8 | 46% | 0.463 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -66.4 | -35.2 | 179 | -71.3 | -67.5 | 156 | 0 | 0 | 112 | E118 R123 R124 | E118-E120 VanDerWaalsContact C-N 3.32Å; E118-E120 PolarHBondContact O-N 3.06Å; E120-R123 IonicContact OE1-CZ 3.2Å; E120-R123 VanDerWaalsContact OE1-CZ 3.25Å; E120-R123 IonicContact OE1-NH1 3.74Å; E120-R123 PolarHBondContact OE1-NH1 2.77Å; E120-R123 IonicContact OE1-NH2 2.73Å; E120-R123 PolarHBondContact OE1-NH2 3.19Å; E120-R123 IonicContact OE2-CZ 3.36Å; E120-R123 IonicContact OE2-NH1 3.64Å; E120-R123 IonicContact OE2-NH2 3.8Å; E120-R124 WeakPolarHBondContact O-CD 3.31Å; E120-R124 VanDerWaalsContact O-CG 3.26Å; E120-R124 WeakPolarHBondContact O-CG 3.5Å; E120-R124 PolarHBondContact O-N 2.84Å |
| 121 | Q | 98.4 | Very high | 98.3 | Very high | 69 Ų | 69 | 54.6 Ų | 54.6 | 32% | 0.322 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -70.8 | -46.6 | 177.6 | -66.1 | -65.7 | 97 | 0 | 0 | 110.7 | E118 W119 R123 R124 N125 | E118-Q121 HydrophobicContact CB-CB 3.99Å; E118-Q121 HydrophobicContact CB-CG 4.13Å; E118-Q121 WeakPolarHBondContact O-CB 3.41Å; E118-Q121 PolarHBondContact O-N 3.48Å; W119-Q121 VanDerWaalsContact C-N 3.33Å; Q121-R123 VanDerWaalsContact C-N 3.31Å; Q121-R123 PolarHBondContact O-N 3.12Å; Q121-R124 PolarHBondContact O-N 3.05Å; Q121-R124 VanDerWaalsContact O-N 3.07Å; Q121-N125 VanDerWaalsContact O-CG 3.26Å; Q121-N125 PolarHBondContact O-N 3.37Å; Q121-N125 PolarHBondContact O-ND2 3.44Å |
| 122 | M | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -57.2 | -44.6 | 174.7 | -70 | -176.1 | -93.8 | 0 | 0 | 111.7 | M81 A84 E85 W117 E118 W119 R124 N125 V126 L152 | M81-M122 HydrophobicContact CB-SD 3.71Å; M81-M122 HydrophobicContact CG-SD 4.24Å; A84-M122 HydrophobicContact CB-CG 4.15Å; E85-M122 HydrophobicContact CB-CG 4.49Å; E85-M122 HydrophobicContact CG-CE 4.17Å; E85-M122 HydrophobicContact CG-CG 3.69Å; E85-M122 HydrophobicContact CG-SD 4.12Å; W117-M122 HydrophobicContact CB-CE 4.06Å; W117-M122 HydrophobicContact CE3-CE 3.95Å; E118-M122 PolarHBondContact O-N 3.36Å; W119-M122 HydrophobicContact CD2-CE 4.16Å; W119-M122 HydrophobicContact CE3-CE 3.38Å; W119-M122 HydrophobicContact CZ3-CE 3.68Å; M122-R124 VanDerWaalsContact C-N 3.25Å; M122-R124 PolarHBondContact O-N 2.97Å; M122-N125 PolarHBondContact O-N 3.21Å; M122-V126 WeakPolarHBondContact O-CB 3.31Å; M122-V126 VanDerWaalsContact O-CG2 3.25Å; M122-V126 WeakPolarHBondContact O-CG2 3.41Å; M122-V126 PolarHBondContact O-N 3.42Å; M122-V126 VanDerWaalsContact O-N 3.08Å; M122-L152 HydrophobicContact CB-CD2 3.63Å; M122-L152 HydrophobicContact CE-CD2 4.2Å; M122-L152 HydrophobicContact CG-CD2 4.36Å; M122-L152 HydrophobicContact SD-CD2 3.82Å |
| 123 | R | 98.4 | Very high | 98.3 | Very high | 103 Ų | 103 | 53.6 Ų | 53.6 | 39% | 0.389 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63 | -27.7 | 177.1 | -82.2 | -170.3 | -84.7 | 141.4 | -0.7 | 114.1 | W119 E120 Q121 G151 L152 | W119-R123 WeakPolarHBondContact O-CB 3.26Å; W119-R123 PolarHBondContact O-N 3.08Å; E120-R123 IonicContact OE1-CZ 3.2Å; E120-R123 VanDerWaalsContact OE1-CZ 3.25Å; E120-R123 IonicContact OE1-NH1 3.74Å; E120-R123 PolarHBondContact OE1-NH1 2.77Å; E120-R123 IonicContact OE1-NH2 2.73Å; E120-R123 PolarHBondContact OE1-NH2 3.19Å; E120-R123 IonicContact OE2-CZ 3.36Å; E120-R123 IonicContact OE2-NH1 3.64Å; E120-R123 IonicContact OE2-NH2 3.8Å; Q121-R123 VanDerWaalsContact C-N 3.31Å; Q121-R123 PolarHBondContact O-N 3.12Å; R123-G151 PolarHBondContact NE-O 3.39Å; R123-L152 WeakPolarHBondContact CD-O 3.44Å; R123-L152 WeakPolarHBondContact CG-O 3.28Å |
| 124 | R | 98.1 | Very high | 98.3 | Very high | 170 Ų | 170 | 52.3 Ų | 52.3 | 64% | 0.642 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -78.7 | -34.2 | 175.8 | -72.5 | 168.3 | -170.5 | 166.8 | 1.8 | 112.4 | E120 Q121 M122 | E120-R124 WeakPolarHBondContact O-CD 3.31Å; E120-R124 VanDerWaalsContact O-CG 3.26Å; E120-R124 WeakPolarHBondContact O-CG 3.5Å; E120-R124 PolarHBondContact O-N 2.84Å; Q121-R124 PolarHBondContact O-N 3.05Å; Q121-R124 VanDerWaalsContact O-N 3.07Å; M122-R124 VanDerWaalsContact C-N 3.25Å; M122-R124 PolarHBondContact O-N 2.97Å |
| 125 | N | 98.4 | Very high | 98.3 | Very high | 30 Ų | 30 | 50.6 Ų | 50.6 | 16% | 0.16 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -89.1 | -13.8 | -172.9 | -64.2 | -15 | 0 | 0 | 0 | 113.4 | A84 E85 H87 N88 V89 Q121 M122 | A84-N125 WeakPolarHBondContact O-CB 3.43Å; A84-N125 PolarHBondContact O-ND2 2.92Å; E85-N125 PolarHBondContact O-ND2 2.97Å; H87-N125 WeakPolarHBondContact O-CB 3.49Å; N88-N125 VanDerWaalsContact CA-O 3.31Å; N88-N125 WeakPolarHBondContact CA-O 3.2Å; N88-N125 WeakPolarHBondContact OD1-CA 3.49Å; N88-N125 PolarHBondContact OD1-OD1 3.01Å; V89-N125 PolarHBondContact N-O 3.03Å; V89-N125 VanDerWaalsContact N-O 3.12Å; Q121-N125 VanDerWaalsContact O-CG 3.26Å; Q121-N125 PolarHBondContact O-N 3.37Å; Q121-N125 PolarHBondContact O-ND2 3.44Å; M122-N125 PolarHBondContact O-N 3.21Å |
| 126 | V | 97.8 | Very high | 98.3 | Very high | 11 Ų | 11 | 50.2 Ų | 50.2 | 7% | 0.067 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 125.1 | -174.7 | -173.7 | 0 | 0 | 0 | 0 | 111.1 | A84 V89 L92 M122 H128 I129 | A84-V126 HydrophobicContact CB-CG2 3.6Å; V89-V126 HydrophobicContact CG2-CB 4.48Å; V89-V126 HydrophobicContact CG2-CG1 4.27Å; V89-V126 HydrophobicContact CG2-CG2 3.78Å; L92-V126 HydrophobicContact CB-CG1 4.39Å; L92-V126 HydrophobicContact CD1-CG1 4.44Å; L92-V126 HydrophobicContact CD1-CG2 3.94Å; L92-V126 HydrophobicContact CG-CG1 3.9Å; L92-V126 HydrophobicContact CG-CG2 4.03Å; M122-V126 WeakPolarHBondContact O-CB 3.31Å; M122-V126 VanDerWaalsContact O-CG2 3.25Å; M122-V126 WeakPolarHBondContact O-CG2 3.41Å; M122-V126 PolarHBondContact O-N 3.42Å; M122-V126 VanDerWaalsContact O-N 3.08Å; V126-H128 VanDerWaalsContact CG1-O 3.29Å; V126-H128 WeakPolarHBondContact CG1-O 3.39Å; V126-I129 HydrophobicContact CB-CD1 4.15Å; V126-I129 HydrophobicContact CB-CG1 4.1Å; V126-I129 HydrophobicContact CG1-CD1 4.19Å; V126-I129 HydrophobicContact CG1-CG1 3.59Å |
| 127 | G | 95.1 | Very high | 98.3 | Very high | 59 Ų | 59 | 46 Ų | 46 | 61% | 0.608 | 23% | 0.225 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -73.4 | -38.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114 | F90 | F90-G127 PolarHBondContact O-N 3.1Å |
| 128 | H | 97.5 | Very high | 98.3 | Very high | 67 Ų | 67 | 49.6 Ų | 49.6 | 31% | 0.31 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 133.6 | -176.7 | -58.3 | -80.5 | 0 | 0 | 0 | 112.1 | F90 G91 L92 V126 L180 | F90-H128 AromaticContact CE1-CD2 3.45Å; F90-H128 VanDerWaalsContact CE1-CD2 3.45Å; F90-H128 WeakPolarHBondContact CE1-CD2 3.26Å; F90-H128 AromaticContact CZ-CD2 3.51Å; F90-H128 AromaticContact CZ-NE2 3.68Å; F90-H128 PolarHBondContact O-N 3.33Å; G91-H128 CarbonylContact C-O 3.55Å; G91-H128 WeakPolarHBondContact CA-O 3.5Å; L92-H128 PolarHBondContact N-O 2.99Å; V126-H128 VanDerWaalsContact CG1-O 3.29Å; V126-H128 WeakPolarHBondContact CG1-O 3.39Å; H128-L180 HydrophobicContact CB-CD2 3.48Å; H128-L180 VanDerWaalsContact CB-CD2 3.48Å |
| 129 | I | 98.6 | Very high | 98.3 | Very high | 18 Ų | 18 | 50.6 Ų | 50.6 | 9% | 0.092 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 118.8 | 179.7 | -50.6 | 178.1 | 0 | 0 | 0 | 109.3 | L92 L94 V126 L152 A154 V155 | L92-I129 HydrophobicContact CB-CG2 4.38Å; L92-I129 WeakPolarHBondContact O-CA 3.46Å; L94-I129 HydrophobicContact CD1-CG2 4.43Å; V126-I129 HydrophobicContact CB-CD1 4.15Å; V126-I129 HydrophobicContact CB-CG1 4.1Å; V126-I129 HydrophobicContact CG1-CD1 4.19Å; V126-I129 HydrophobicContact CG1-CG1 3.59Å; I129-L152 HydrophobicContact CD1-CB 3.89Å; I129-L152 HydrophobicContact CD1-CD2 4.21Å; I129-L152 HydrophobicContact CD1-CG 4.46Å; I129-L152 HydrophobicContact CG2-CB 4.14Å; I129-L152 HydrophobicContact CG2-CD1 4.08Å; I129-A154 HydrophobicContact CB-CB 4.17Å; I129-A154 HydrophobicContact CG2-CB 3.56Å; I129-V155 PolarHBondContact O-N 2.68Å |
| 130 | V | 98.8 | Very high | 98.2 | Very high | 12 Ų | 12 | 48.1 Ų | 48.1 | 7% | 0.073 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 136.8 | 174.5 | -178.1 | 0 | 0 | 0 | 0 | 108 | L92 I93 L94 F132 A176 L180 | L92-V130 PolarHBondContact O-N 3.2Å; I93-V130 CarbonylContact C-O 3.59Å; I93-V130 WeakPolarHBondContact CA-O 3.4Å; I93-V130 HydrophobicContact CG1-CB 4.36Å; L94-V130 PolarHBondContact N-O 3.21Å; V130-F132 HydrophobicContact CG1-CD2 4.27Å; V130-F132 HydrophobicContact CG1-CE2 3.68Å; V130-F132 HydrophobicContact CG1-CZ 4.19Å; V130-A176 HydrophobicContact CG1-CB 4.37Å; V130-L180 HydrophobicContact CG2-CD2 4.4Å |
| 131 | Q | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 136.4 | 176.2 | -175.5 | 177.1 | -31.1 | 0 | 0 | 110.9 | L94 Q145 V148 A149 A154 V155 L156 H157 | L94-Q131 HydrophobicContact CB-CB 4.46Å; L94-Q131 HydrophobicContact CB-CG 4.27Å; L94-Q131 CarbonylContact O-C 3.59Å; L94-Q131 VanDerWaalsContact O-CA 3.27Å; L94-Q131 WeakPolarHBondContact O-CA 3.41Å; Q131-Q145 PolarHBondContact NE2-O 3.11Å; Q131-V148 VanDerWaalsContact OE1-CG1 3.31Å; Q131-A149 VanDerWaalsContact OE1-CA 3.26Å; Q131-A149 VanDerWaalsContact OE1-N 3.08Å; Q131-A154 HydrophobicContact CB-CB 4.06Å; Q131-V155 PolarHBondContact N-O 2.93Å; Q131-L156 HydrophobicContact CB-CD1 4.07Å; Q131-L156 HydrophobicContact CG-CD1 3.94Å; Q131-H157 PolarHBondContact O-N 3.22Å |
| 132 | F | 98.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 0% | 0.004 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 120.8 | 169.3 | -65.1 | -94.7 | 0 | 0 | 0 | 108.2 | I93 L94 V95 G96 V130 H157 Y159 F165 F170 E172 L173 A176 | I93-F132 HydrophobicContact CG2-CD2 3.78Å; I93-F132 HydrophobicContact CG2-CE2 3.58Å; L94-F132 PolarHBondContact O-N 2.59Å; V95-F132 HydrophobicContact CG1-CB 4.34Å; V95-F132 HydrophobicContact CG2-CB 4.3Å; V95-F132 HydrophobicContact CG2-CD2 4.23Å; G96-F132 PolarHBondContact N-O 2.92Å; V130-F132 HydrophobicContact CG1-CD2 4.27Å; V130-F132 HydrophobicContact CG1-CE2 3.68Å; V130-F132 HydrophobicContact CG1-CZ 4.19Å; F132-H157 HydrophobicContact CD1-CB 3.67Å; F132-H157 HydrophobicContact CE1-CB 3.86Å; F132-H157 AromaticContact CE1-CG 3.86Å; F132-H157 HydrophobicContact CG-CB 4.32Å; F132-Y159 AromaticContact CD1-CE2 3.85Å; F132-Y159 HydrophobicContact CD1-CE2 3.85Å; F132-F165 HydrophobicContact CB-CE1 4.11Å; F132-F165 HydrophobicContact CB-CZ 4.08Å; F132-F170 HydrophobicContact CB-CE1 4.48Å; F132-F170 HydrophobicContact CB-CZ 3.98Å; F132-F170 HydrophobicContact CD1-CE1 4.48Å; F132-F170 AromaticContact CD1-CE2 3.99Å; F132-F170 HydrophobicContact CD1-CE2 3.99Å; F132-F170 AromaticContact CD1-CZ 3.49Å; F132-F170 HydrophobicContact CD1-CZ 3.49Å; F132-F170 VanDerWaalsContact CD1-CZ 3.49Å; F132-F170 HydrophobicContact CD2-CZ 4.42Å; F132-F170 HydrophobicContact CE1-CE2 4.23Å; F132-F170 HydrophobicContact CE1-CZ 4.07Å; F132-F170 HydrophobicContact CG-CE1 4.33Å; F132-F170 AromaticContact CG-CZ 3.72Å; F132-F170 HydrophobicContact CG-CZ 3.72Å; F132-E172 HydrophobicContact CE1-CB 4.07Å; F132-L173 HydrophobicContact CE2-CD1 4.31Å; F132-A176 HydrophobicContact CE2-CB 4.13Å; F132-A176 HydrophobicContact CZ-CB 3.84Å |
| 133 | G | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 153.3 | 179 | 0 | 0 | 0 | 0 | 0 | 111.5 | H157 K158 Y159 | G133-H157 PolarHBondContact N-O 2.89Å; G133-H157 VanDerWaalsContact N-O 3.08Å; G133-K158 CarbonylContact O-C 3.54Å; G133-Y159 PolarHBondContact O-N 3.5Å |
| 134 | S | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 135.9 | 179 | -150.6 | 0 | 0 | 0 | 0 | 111.3 | D136 D137 Q145 Y159 R162 G163 | S134-D136 VanDerWaalsContact C-N 3.26Å; S134-D136 VanDerWaalsContact CB-OD1 3.31Å; S134-D136 WeakPolarHBondContact CB-OD1 3.44Å; S134-D136 PolarHBondContact O-N 2.97Å; S134-D136 PolarHBondContact OG-OD1 2.91Å; S134-D137 WeakPolarHBondContact O-CB 3.42Å; S134-D137 PolarHBondContact O-N 3.43Å; S134-Q145 PolarHBondContact O-NE2 2.56Å; S134-Y159 WeakPolarHBondContact CA-O 3.28Å; S134-Y159 PolarHBondContact OG-O 3.41Å; S134-R162 PolarHBondContact OG-N 3.02Å; S134-R162 VanDerWaalsContact OG-N 3.16Å; S134-G163 VanDerWaalsContact CB-O 3.32Å; S134-G163 WeakPolarHBondContact CB-O 3.24Å |
| 135 | T | 98.6 | Very high | 98.3 | Very high | 60 Ų | 60 | 39.3 Ų | 39.3 | 37% | 0.368 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -15.6 | 179.6 | 58.6 | 0 | 0 | 0 | 0 | 113.4 | W142 K158 Y159 T160 | T135-W142 HydrophobicContact CG2-CD2 3.58Å; T135-W142 HydrophobicContact CG2-CE3 3.51Å; T135-W142 HydrophobicContact CG2-CG 4.03Å; T135-W142 HydrophobicContact CG2-CZ3 4.01Å; T135-K158 HydrophobicContact CG2-CD 4.48Å; T135-Y159 PolarHBondContact N-O 3.01Å; T135-Y159 PolarHBondContact OG1-O 3.02Å; T135-T160 WeakPolarHBondContact OG1-CA 3.4Å |
| 136 | D | 98.6 | Very high | 98.3 | Very high | 70 Ų | 70 | 41.5 Ų | 41.5 | 37% | 0.374 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | 14.8 | 176.4 | 72.3 | -35.4 | 0 | 0 | 0 | 112.4 | S134 P138 D161 R162 G163 | S134-D136 VanDerWaalsContact C-N 3.26Å; S134-D136 VanDerWaalsContact CB-OD1 3.31Å; S134-D136 WeakPolarHBondContact CB-OD1 3.44Å; S134-D136 PolarHBondContact O-N 2.97Å; S134-D136 PolarHBondContact OG-OD1 2.91Å; D136-P138 WeakPolarHBondContact O-CD 3.39Å; D136-D161 PolarHBondContact OD1-N 2.98Å; D136-D161 VanDerWaalsContact OD2-CA 3.26Å; D136-D161 WeakPolarHBondContact OD2-CA 3.39Å; D136-R162 PolarHBondContact OD1-N 3.04Å; D136-G163 PolarHBondContact OD1-N 3.38Å; D136-G163 PolarHBondContact OD2-N 3.41Å |
| 137 | D | 98.6 | Very high | 98.3 | Very high | 13 Ų | 13 | 42.8 Ų | 42.8 | 7% | 0.07 | 24% | 0.24 | C | C | . | . | trans | -60.6 | 119.4 | 173.8 | -168.2 | -41.8 | 0 | 0 | 0 | 109.9 | S134 F139 L140 H164 | S134-D137 WeakPolarHBondContact O-CB 3.42Å; S134-D137 PolarHBondContact O-N 3.43Å; D137-F139 VanDerWaalsContact C-N 3.27Å; D137-F139 PolarHBondContact O-N 2.8Å; D137-F139 PolarHBondContact OD1-N 2.75Å; D137-L140 HydrophobicContact CB-CB 4.35Å; D137-L140 PolarHBondContact OD1-N 2.87Å; D137-H164 VanDerWaalsContact CG-ND1 3.34Å; D137-H164 IonicContact OD1-CG 3.14Å; D137-H164 IonicContact OD1-ND1 3.79Å; D137-H164 PolarHBondContact OD1-ND1 3.32Å; D137-H164 IonicContact OD2-CE1 2.67Å; D137-H164 IonicContact OD2-CG 2.63Å; D137-H164 IonicContact OD2-ND1 2.83Å; D137-H164 PolarHBondContact OD2-ND1 2.74Å | ||
| 138 | P | 98 | Very high | 98.5 | Very high | 99 Ų | 99 | 40 Ų | 40 | 64% | 0.643 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -78 | -11.6 | -176.6 | 32.4 | -35.8 | 0 | 0 | 0 | 113.4 | D136 | D136-P138 WeakPolarHBondContact O-CD 3.39Š|
| 139 | F | 97.6 | Very high | 98.6 | Very high | 120 Ų | 120 | 37.1 Ų | 37.1 | 53% | 0.526 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -103 | -37.1 | -179.4 | -55.6 | -79 | 0 | 0 | 0 | 111.8 | D137 H164 | D137-F139 VanDerWaalsContact C-N 3.27Å; D137-F139 PolarHBondContact O-N 2.8Å; D137-F139 PolarHBondContact OD1-N 2.75Å; F139-H164 HydrophobicContact CD2-CB 3.54Å; F139-H164 AromaticContact CD2-CD2 3.7Å; F139-H164 AromaticContact CD2-CG 3.42Å; F139-H164 VanDerWaalsContact CD2-CG 3.42Å; F139-H164 AromaticContact CD2-ND1 3.82Å; F139-H164 HydrophobicContact CE2-CB 3.76Å; F139-H164 AromaticContact CE2-CD2 4Å; F139-H164 AromaticContact CE2-CG 3.93Å |
| 140 | L | 98 | Very high | 98.6 | Very high | 9 Ų | 9 | 42.5 Ų | 42.5 | 5% | 0.047 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -111.8 | 123.2 | -168.4 | -53.9 | -175.3 | 0 | 0 | 0 | 112.3 | G96 Y98 L102 D137 W142 Q145 | G96-L140 VanDerWaalsContact C-CD1 3.49Å; G96-L140 WeakPolarHBondContact O-CD1 3.49Å; Y98-L140 HydrophobicContact CD1-CD1 3.79Å; Y98-L140 HydrophobicContact CD1-CD2 3.72Å; Y98-L140 HydrophobicContact CD1-CG 4.43Å; Y98-L140 HydrophobicContact CD2-CD2 4.2Å; Y98-L140 HydrophobicContact CE1-CD2 4.28Å; Y98-L140 HydrophobicContact CG-CD1 4.29Å; Y98-L140 HydrophobicContact CG-CD2 3.72Å; L102-L140 HydrophobicContact CD1-CD2 3.62Å; D137-L140 HydrophobicContact CB-CB 4.35Å; D137-L140 PolarHBondContact OD1-N 2.87Å; L140-W142 PolarHBondContact O-N 3.37Å; L140-Q145 HydrophobicContact CB-CG 4.31Å; L140-Q145 PolarHBondContact O-NE2 2.92Å |
| 141 | P | 98.3 | Very high | 98.6 | Very high | 55 Ų | 55 | 42.6 Ų | 42.6 | 36% | 0.357 | 23% | 0.228 | S | C | . | . | trans | -57.3 | 139.2 | 169.2 | -21.2 | 32.2 | 0 | 0 | 0 | 111.3 | L102 E143 E144 Q145 | L102-P141 HydrophobicContact CD2-CG 4.16Å; P141-E143 PolarHBondContact O-N 3.15Å; P141-E144 HydrophobicContact CB-CG 4.41Å; P141-E144 HydrophobicContact CG-CG 4.49Å; P141-E144 PolarHBondContact O-N 3.28Å; P141-Q145 PolarHBondContact O-N 2.74Å | ||
| 142 | W | 98.6 | Very high | 98.6 | Very high | 37 Ų | 37 | 42.8 Ų | 42.8 | 14% | 0.14 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60 | -34.2 | 178.7 | 173.4 | -102.8 | 0 | 0 | 0 | 111.8 | T135 L140 E144 Q145 Q146 L156 K158 | T135-W142 HydrophobicContact CG2-CD2 3.58Å; T135-W142 HydrophobicContact CG2-CE3 3.51Å; T135-W142 HydrophobicContact CG2-CG 4.03Å; T135-W142 HydrophobicContact CG2-CZ3 4.01Å; L140-W142 PolarHBondContact O-N 3.37Å; W142-E144 VanDerWaalsContact C-N 3.31Å; W142-E144 PolarHBondContact O-N 3.24Å; W142-Q145 HydrophobicContact CE3-CB 4.41Å; W142-Q145 PolarHBondContact O-N 3Å; W142-Q146 WeakPolarHBondContact O-CB 3.46Å; W142-Q146 PolarHBondContact O-N 3.37Å; W142-L156 HydrophobicContact CH2-CD2 4Å; W142-L156 HydrophobicContact CZ2-CD2 4.19Å; W142-K158 HydrophobicContact CH2-CB 3.85Å; W142-K158 HydrophobicContact CH2-CD 3.49Å; W142-K158 VanDerWaalsContact CH2-CD 3.49Å; W142-K158 HydrophobicContact CH2-CG 3.4Å; W142-K158 HydrophobicContact CZ2-CD 3.47Å; W142-K158 VanDerWaalsContact CZ2-CD 3.47Å; W142-K158 VanDerWaalsContact CZ2-CE 3.45Å; W142-K158 HydrophobicContact CZ2-CG 3.96Å; W142-K158 HydrophobicContact CZ3-CD 4.36Å; W142-K158 HydrophobicContact CZ3-CG 3.99Å |
| 143 | E | 98.7 | Very high | 98.5 | Very high | 136 Ų | 136 | 45.6 Ų | 45.6 | 64% | 0.636 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -61.4 | -37.9 | -179.2 | -65.3 | 72.5 | -160.5 | 0 | 0 | 112 | P141 Q146 A147 | P141-E143 PolarHBondContact O-N 3.15Å; E143-Q146 PolarHBondContact O-N 3.28Å; E143-A147 WeakPolarHBondContact O-CB 3.25Å; E143-A147 PolarHBondContact O-N 3.42Å |
| 144 | E | 98.8 | Very high | 98.5 | Very high | 29 Ų | 29 | 46.4 Ų | 46.4 | 14% | 0.136 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -71.4 | -40.7 | 177.3 | -67.1 | -149.8 | -164 | 0 | 0 | 111.9 | T99 S100 L102 P141 W142 Q146 A147 V148 | T99-E144 WeakPolarHBondContact CA-OE2 3.47Å; T99-E144 PolarHBondContact N-OE2 3.26Å; T99-E144 PolarHBondContact OG1-OE2 3.23Å; S100-E144 WeakPolarHBondContact CB-OE1 3.17Å; S100-E144 PolarHBondContact N-OE2 3.21Å; S100-E144 PolarHBondContact OG-OE1 3.22Å; S100-E144 PolarHBondContact OG-OE2 2.84Å; L102-E144 VanDerWaalsContact CD2-OE1 3.26Å; L102-E144 WeakPolarHBondContact CD2-OE1 3.22Å; P141-E144 HydrophobicContact CB-CG 4.41Å; P141-E144 HydrophobicContact CG-CG 4.49Å; P141-E144 PolarHBondContact O-N 3.28Å; W142-E144 VanDerWaalsContact C-N 3.31Å; W142-E144 PolarHBondContact O-N 3.24Å; E144-Q146 VanDerWaalsContact C-N 3.28Å; E144-Q146 PolarHBondContact O-N 2.88Å; E144-A147 PolarHBondContact O-N 2.93Å; E144-V148 PolarHBondContact O-N 3.03Å; E144-V148 VanDerWaalsContact O-N 3.1Å |
| 145 | Q | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.3 | -42.8 | 173.7 | -59.6 | -179.4 | 53.4 | 0 | 0 | 110.6 | A97 Q131 S134 L140 P141 W142 V148 A149 | A97-Q145 WeakPolarHBondContact O-CA 3.33Å; A97-Q145 WeakPolarHBondContact O-CG 3.4Å; Q131-Q145 PolarHBondContact NE2-O 3.11Å; S134-Q145 PolarHBondContact O-NE2 2.56Å; L140-Q145 HydrophobicContact CB-CG 4.31Å; L140-Q145 PolarHBondContact O-NE2 2.92Å; P141-Q145 PolarHBondContact O-N 2.74Å; W142-Q145 HydrophobicContact CE3-CB 4.41Å; W142-Q145 PolarHBondContact O-N 3Å; Q145-V148 PolarHBondContact O-N 3.2Å; Q145-A149 PolarHBondContact O-N 3.45Å |
| 146 | Q | 98.8 | Very high | 98.5 | Very high | 75 Ų | 75 | 50.8 Ų | 50.8 | 35% | 0.35 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65.4 | -40.2 | 177.3 | -171.6 | 175.1 | -42.4 | 0 | 0 | 111.9 | W142 E143 E144 V148 A149 E150 | W142-Q146 WeakPolarHBondContact O-CB 3.46Å; W142-Q146 PolarHBondContact O-N 3.37Å; E143-Q146 PolarHBondContact O-N 3.28Å; E144-Q146 VanDerWaalsContact C-N 3.28Å; E144-Q146 PolarHBondContact O-N 2.88Å; Q146-V148 VanDerWaalsContact C-N 3.32Å; Q146-V148 PolarHBondContact O-N 3.05Å; Q146-A149 PolarHBondContact O-N 3.38Å; Q146-A149 VanDerWaalsContact O-N 3.16Å; Q146-E150 HydrophobicContact CG-CG 4.36Å; Q146-E150 WeakPolarHBondContact CG-OE1 3.47Å; Q146-E150 PolarHBondContact NE2-OE1 3.23Å; Q146-E150 WeakPolarHBondContact O-CG 3.37Å; Q146-E150 PolarHBondContact O-N 2.85Å |
| 147 | A | 98.8 | Very high | 98.5 | Very high | 38 Ų | 38 | 50.3 Ų | 50.3 | 31% | 0.314 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.3 | -39.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | T99 E143 E144 G151 | T99-A147 HydrophobicContact CG2-CB 4.04Å; E143-A147 WeakPolarHBondContact O-CB 3.25Å; E143-A147 PolarHBondContact O-N 3.42Å; E144-A147 PolarHBondContact O-N 2.93Å; A147-G151 PolarHBondContact O-N 3.42Å |
| 148 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.9 | -48.4 | 173.1 | 177.8 | 0 | 0 | 0 | 0 | 111 | M81 L94 A97 T99 W119 Q131 E144 Q145 Q146 E150 G151 L152 | M81-V148 HydrophobicContact CE-CG2 4.3Å; M81-V148 HydrophobicContact SD-CG1 3.52Å; M81-V148 VanDerWaalsContact SD-CG1 3.52Å; M81-V148 HydrophobicContact SD-CG2 4.21Å; L94-V148 HydrophobicContact CD1-CG1 3.96Å; A97-V148 HydrophobicContact CB-CB 4.24Å; A97-V148 HydrophobicContact CB-CG1 3.85Å; A97-V148 HydrophobicContact CB-CG2 4.04Å; T99-V148 HydrophobicContact CG2-CG2 3.55Å; W119-V148 HydrophobicContact CH2-CG2 4.4Å; Q131-V148 VanDerWaalsContact OE1-CG1 3.31Å; E144-V148 PolarHBondContact O-N 3.03Å; E144-V148 VanDerWaalsContact O-N 3.1Å; Q145-V148 PolarHBondContact O-N 3.2Å; Q146-V148 VanDerWaalsContact C-N 3.32Å; Q146-V148 PolarHBondContact O-N 3.05Å; V148-E150 VanDerWaalsContact C-N 3.33Å; V148-E150 PolarHBondContact O-N 3.25Å; V148-G151 PolarHBondContact O-N 3.29Å; V148-L152 HydrophobicContact CG1-CD1 3.71Å; V148-L152 HydrophobicContact CG1-CG 4.4Å; V148-L152 WeakPolarHBondContact O-CB 3.35Å; V148-L152 PolarHBondContact O-N 3.12Å |
| 149 | A | 98.8 | Very high | 98.6 | Very high | 8 Ų | 8 | 52.3 Ų | 52.3 | 7% | 0.066 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.9 | -42.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q131 Q145 Q146 G153 A154 L156 | Q131-A149 VanDerWaalsContact OE1-CA 3.26Å; Q131-A149 VanDerWaalsContact OE1-N 3.08Å; Q145-A149 PolarHBondContact O-N 3.45Å; Q146-A149 PolarHBondContact O-N 3.38Å; Q146-A149 VanDerWaalsContact O-N 3.16Å; A149-G153 CarbonylContact O-C 3.03Å; A149-G153 WeakPolarHBondContact O-CA 3.05Å; A149-G153 PolarHBondContact O-N 3.15Å; A149-A154 PolarHBondContact O-N 3.08Å; A149-L156 HydrophobicContact CB-CB 4.13Å; A149-L156 HydrophobicContact CB-CD1 4.17Å; A149-L156 HydrophobicContact CB-CD2 3.96Å; A149-L156 HydrophobicContact CB-CG 4.31Å |
| 150 | E | 98.8 | Very high | 98.6 | Very high | 130 Ų | 130 | 51.1 Ų | 51.1 | 61% | 0.607 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -68.9 | -46.3 | 177.2 | -70.8 | 175.6 | -173.6 | 0 | 0 | 111.9 | Q146 V148 L152 G153 | Q146-E150 HydrophobicContact CG-CG 4.36Å; Q146-E150 WeakPolarHBondContact CG-OE1 3.47Å; Q146-E150 PolarHBondContact NE2-OE1 3.23Å; Q146-E150 WeakPolarHBondContact O-CG 3.37Å; Q146-E150 PolarHBondContact O-N 2.85Å; V148-E150 VanDerWaalsContact C-N 3.33Å; V148-E150 PolarHBondContact O-N 3.25Å; E150-L152 VanDerWaalsContact C-N 3.3Å; E150-L152 PolarHBondContact O-N 3.06Å; E150-G153 PolarHBondContact O-N 3.07Å |
| 151 | G | 98.6 | Very high | 98.6 | Very high | 14 Ų | 14 | 55.3 Ų | 55.3 | 14% | 0.144 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61 | -38.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | W119 R123 A147 V148 | W119-G151 WeakPolarHBondContact CB-O 3.49Å; R123-G151 PolarHBondContact NE-O 3.39Å; A147-G151 PolarHBondContact O-N 3.42Å; V148-G151 PolarHBondContact O-N 3.29Å |
| 152 | L | 98.6 | Very high | 98.6 | Very high | 4 Ų | 4 | 56.4 Ų | 56.4 | 2% | 0.021 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -89.3 | -12.5 | 178.7 | -66.2 | 178.4 | 0 | 0 | 0 | 114 | M81 L94 W119 M122 R123 I129 V148 E150 A154 | M81-L152 HydrophobicContact CG-CD1 4.23Å; M81-L152 HydrophobicContact SD-CD1 4Å; L94-L152 HydrophobicContact CD1-CD1 3.49Å; L94-L152 VanDerWaalsContact CD1-CD1 3.49Å; W119-L152 HydrophobicContact CE3-CD2 3.76Å; W119-L152 HydrophobicContact CE3-CG 3.92Å; W119-L152 HydrophobicContact CZ3-CD2 4.16Å; W119-L152 HydrophobicContact CZ3-CG 3.99Å; M122-L152 HydrophobicContact CB-CD2 3.63Å; M122-L152 HydrophobicContact CE-CD2 4.2Å; M122-L152 HydrophobicContact CG-CD2 4.36Å; M122-L152 HydrophobicContact SD-CD2 3.82Å; R123-L152 WeakPolarHBondContact CD-O 3.44Å; R123-L152 WeakPolarHBondContact CG-O 3.28Å; I129-L152 HydrophobicContact CD1-CB 3.89Å; I129-L152 HydrophobicContact CD1-CD2 4.21Å; I129-L152 HydrophobicContact CD1-CG 4.46Å; I129-L152 HydrophobicContact CG2-CB 4.14Å; I129-L152 HydrophobicContact CG2-CD1 4.08Å; V148-L152 HydrophobicContact CG1-CD1 3.71Å; V148-L152 HydrophobicContact CG1-CG 4.4Å; V148-L152 WeakPolarHBondContact O-CB 3.35Å; V148-L152 PolarHBondContact O-N 3.12Å; E150-L152 VanDerWaalsContact C-N 3.3Å; E150-L152 PolarHBondContact O-N 3.06Å; L152-A154 HydrophobicContact CB-CB 4.41Å; L152-A154 PolarHBondContact O-N 2.72Å |
| 153 | G | 98.3 | Very high | 98.6 | Very high | 61 Ų | 61 | 55.3 Ų | 55.3 | 63% | 0.629 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.5 | 36.7 | -169.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A149 E150 | A149-G153 CarbonylContact O-C 3.03Å; A149-G153 WeakPolarHBondContact O-CA 3.05Å; A149-G153 PolarHBondContact O-N 3.15Å; E150-G153 PolarHBondContact O-N 3.07Å |
| 154 | A | 98.4 | Very high | 98.6 | Very high | 16 Ų | 16 | 49.6 Ų | 49.6 | 13% | 0.132 | 28% | 0.277 | C | S | . | . | trans | -72.4 | 150.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | I129 Q131 A149 L152 L156 | I129-A154 HydrophobicContact CB-CB 4.17Å; I129-A154 HydrophobicContact CG2-CB 3.56Å; Q131-A154 HydrophobicContact CB-CB 4.06Å; A149-A154 PolarHBondContact O-N 3.08Å; L152-A154 HydrophobicContact CB-CB 4.41Å; L152-A154 PolarHBondContact O-N 2.72Å; A154-L156 PolarHBondContact O-N 2.83Å; A154-L156 VanDerWaalsContact O-N 3.1Å | ||
| 155 | V | 98.5 | Very high | 98.6 | Very high | 92 Ų | 92 | 48.5 Ų | 48.5 | 56% | 0.558 | 27% | 0.272 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 101.1 | 164.1 | -179.4 | 0 | 0 | 0 | 0 | 108.4 | I129 Q131 | I129-V155 PolarHBondContact O-N 2.68Å; Q131-V155 PolarHBondContact N-O 2.93Å |
| 156 | L | 98.7 | Very high | 98.5 | Very high | 60 Ų | 60 | 53.6 Ų | 53.6 | 31% | 0.314 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 117.5 | -176.8 | -178.7 | 61.1 | 0 | 0 | 0 | 112.3 | Q131 W142 A149 A154 | Q131-L156 HydrophobicContact CB-CD1 4.07Å; Q131-L156 HydrophobicContact CG-CD1 3.94Å; W142-L156 HydrophobicContact CH2-CD2 4Å; W142-L156 HydrophobicContact CZ2-CD2 4.19Å; A149-L156 HydrophobicContact CB-CB 4.13Å; A149-L156 HydrophobicContact CB-CD1 4.17Å; A149-L156 HydrophobicContact CB-CD2 3.96Å; A149-L156 HydrophobicContact CB-CG 4.31Å; A154-L156 PolarHBondContact O-N 2.83Å; A154-L156 VanDerWaalsContact O-N 3.1Å |
| 157 | H | 98.8 | Very high | 98.4 | Very high | 61 Ų | 61 | 54.7 Ų | 54.7 | 28% | 0.282 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 96.6 | 164.7 | -65.9 | -87.1 | 0 | 0 | 0 | 109.4 | Q131 F132 G133 Y159 | Q131-H157 PolarHBondContact O-N 3.22Å; F132-H157 HydrophobicContact CD1-CB 3.67Å; F132-H157 HydrophobicContact CE1-CB 3.86Å; F132-H157 AromaticContact CE1-CG 3.86Å; F132-H157 HydrophobicContact CG-CB 4.32Å; G133-H157 PolarHBondContact N-O 2.89Å; G133-H157 VanDerWaalsContact N-O 3.08Å; H157-Y159 HydrophobicContact CB-CE2 3.86Å; H157-Y159 WeakPolarHBondContact O-CD2 3.45Å |
| 158 | K | 98.6 | Very high | 98.3 | Very high | 114 Ų | 114 | 57.8 Ų | 57.8 | 50% | 0.496 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 131.2 | 178.5 | 177.4 | 173 | -171.1 | 166.8 | 0 | 111.6 | G133 T135 W142 | G133-K158 CarbonylContact O-C 3.54Å; T135-K158 HydrophobicContact CG2-CD 4.48Å; W142-K158 HydrophobicContact CH2-CB 3.85Å; W142-K158 HydrophobicContact CH2-CD 3.49Å; W142-K158 VanDerWaalsContact CH2-CD 3.49Å; W142-K158 HydrophobicContact CH2-CG 3.4Å; W142-K158 HydrophobicContact CZ2-CD 3.47Å; W142-K158 VanDerWaalsContact CZ2-CD 3.47Å; W142-K158 VanDerWaalsContact CZ2-CE 3.45Å; W142-K158 HydrophobicContact CZ2-CG 3.96Å; W142-K158 HydrophobicContact CZ3-CD 4.36Å; W142-K158 HydrophobicContact CZ3-CG 3.99Å |
| 159 | Y | 98.7 | Very high | 98.3 | Very high | 39 Ų | 39 | 63.1 Ų | 63.1 | 15% | 0.153 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 167.6 | 172.1 | -64.2 | -92.9 | 0 | 0 | 0 | 111.1 | F132 G133 S134 T135 H157 R162 F165 E172 | F132-Y159 AromaticContact CD1-CE2 3.85Å; F132-Y159 HydrophobicContact CD1-CE2 3.85Å; G133-Y159 PolarHBondContact O-N 3.5Å; S134-Y159 WeakPolarHBondContact CA-O 3.28Å; S134-Y159 PolarHBondContact OG-O 3.41Å; T135-Y159 PolarHBondContact N-O 3.01Å; T135-Y159 PolarHBondContact OG1-O 3.02Å; H157-Y159 HydrophobicContact CB-CE2 3.86Å; H157-Y159 WeakPolarHBondContact O-CD2 3.45Å; Y159-R162 HydrophobicContact CD1-CG 3.53Å; Y159-R162 HydrophobicContact CD2-CG 4.21Å; Y159-R162 HydrophobicContact CE1-CG 4.29Å; Y159-R162 HydrophobicContact CG-CB 4.28Å; Y159-R162 HydrophobicContact CG-CG 3.48Å; Y159-R162 VanDerWaalsContact CG-CG 3.48Å; Y159-F165 HydrophobicContact CD2-CE1 4.15Å; Y159-F165 AromaticContact CD2-CZ 3.97Å; Y159-F165 HydrophobicContact CD2-CZ 3.97Å; Y159-F165 HydrophobicContact CE2-CE1 4.46Å; Y159-E172 WeakPolarHBondContact OH-CG 3.44Å |
| 160 | T | 98.4 | Very high | 98.3 | Very high | 96 Ų | 96 | 63 Ų | 63 | 59% | 0.589 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -130.1 | 6 | 176.7 | 62.9 | 0 | 0 | 0 | 0 | 112.6 | T135 | T135-T160 WeakPolarHBondContact OG1-CA 3.4Š|
| 161 | D | 98.2 | Very high | 98.2 | Very high | 96 Ų | 96 | 59.9 Ų | 59.9 | 51% | 0.513 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -150.2 | 20.7 | -165.2 | 70.4 | -33.1 | 0 | 0 | 0 | 112.8 | D136 | D136-D161 PolarHBondContact OD1-N 2.98Å; D136-D161 VanDerWaalsContact OD2-CA 3.26Å; D136-D161 WeakPolarHBondContact OD2-CA 3.39Å |
| 162 | R | 98.1 | Very high | 98.2 | Very high | 79 Ų | 79 | 61.7 Ų | 61.7 | 30% | 0.298 | 34% | 0.338 | S | S | . | . | trans | -111 | -4.3 | -177.8 | -68.1 | -65.8 | -170.4 | -125 | 6.7 | 113.1 | S134 D136 Y159 H164 F165 E172 | S134-R162 PolarHBondContact OG-N 3.02Å; S134-R162 VanDerWaalsContact OG-N 3.16Å; D136-R162 PolarHBondContact OD1-N 3.04Å; Y159-R162 HydrophobicContact CD1-CG 3.53Å; Y159-R162 HydrophobicContact CD2-CG 4.21Å; Y159-R162 HydrophobicContact CE1-CG 4.29Å; Y159-R162 HydrophobicContact CG-CB 4.28Å; Y159-R162 HydrophobicContact CG-CG 3.48Å; Y159-R162 VanDerWaalsContact CG-CG 3.48Å; R162-H164 PolarHBondContact O-N 3.26Å; R162-F165 HydrophobicContact CB-CD1 3.99Å; R162-F165 HydrophobicContact CB-CE1 3.6Å; R162-F165 HydrophobicContact CB-CE2 4.22Å; R162-F165 HydrophobicContact CB-CG 4.46Å; R162-F165 HydrophobicContact CB-CZ 3.73Å; R162-F165 HydrophobicContact CG-CD1 4.49Å; R162-F165 HydrophobicContact CG-CE1 3.91Å; R162-F165 HydrophobicContact CG-CZ 4.32Å; R162-F165 PolarHBondContact O-N 2.96Å; R162-E172 IonicContact CZ-OE1 3.94Å; R162-E172 IonicContact NH2-OE1 3.28Å; R162-E172 PolarHBondContact NH2-OE1 3.27Å | ||
| 163 | G | 98.4 | Very high | 98.2 | Very high | 14 Ų | 14 | 61.5 Ų | 61.5 | 14% | 0.144 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 46.6 | -132.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | S134 D136 F165 | S134-G163 VanDerWaalsContact CB-O 3.32Å; S134-G163 WeakPolarHBondContact CB-O 3.24Å; D136-G163 PolarHBondContact OD1-N 3.38Å; D136-G163 PolarHBondContact OD2-N 3.41Å; G163-F165 VanDerWaalsContact C-N 3.28Å; G163-F165 PolarHBondContact O-N 3.14Å |
| 164 | H | 98.3 | Very high | 98.3 | Very high | 16 Ų | 16 | 59.1 Ų | 59.1 | 7% | 0.074 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 28 | 176 | -158.1 | 61.3 | 0 | 0 | 0 | 113.6 | H73 S74 D137 F139 R162 Q166 | H73-H164 PolarHBondContact CE1-O 3.25Å; H73-H164 PolarHBondContact NE2-O 2.97Å; S74-H164 VanDerWaalsContact CB-NE2 3.26Å; S74-H164 WeakPolarHBondContact CB-NE2 3.4Å; S74-H164 PolarHBondContact OG-CE1 3.21Å; S74-H164 PolarHBondContact OG-NE2 2.69Å; D137-H164 VanDerWaalsContact CG-ND1 3.34Å; D137-H164 IonicContact OD1-CG 3.14Å; D137-H164 IonicContact OD1-ND1 3.79Å; D137-H164 PolarHBondContact OD1-ND1 3.32Å; D137-H164 IonicContact OD2-CE1 2.67Å; D137-H164 IonicContact OD2-CG 2.63Å; D137-H164 IonicContact OD2-ND1 2.83Å; D137-H164 PolarHBondContact OD2-ND1 2.74Å; F139-H164 HydrophobicContact CD2-CB 3.54Å; F139-H164 AromaticContact CD2-CD2 3.7Å; F139-H164 AromaticContact CD2-CG 3.42Å; F139-H164 VanDerWaalsContact CD2-CG 3.42Å; F139-H164 AromaticContact CD2-ND1 3.82Å; F139-H164 HydrophobicContact CE2-CB 3.76Å; F139-H164 AromaticContact CE2-CD2 4Å; F139-H164 AromaticContact CE2-CG 3.93Å; R162-H164 PolarHBondContact O-N 3.26Å; H164-Q166 VanDerWaalsContact C-N 3.29Å; H164-Q166 HydrophobicContact CB-CG 4.23Å; H164-Q166 WeakPolarHBondContact O-CG 3.3Å; H164-Q166 PolarHBondContact O-N 2.64Å; H164-Q166 VanDerWaalsContact O-N 3.15Å |
| 165 | F | 98.4 | Very high | 98.3 | Very high | 5 Ų | 5 | 62.5 Ų | 62.5 | 2% | 0.022 | 33% | 0.325 | C | S | . | . | S | Bend | trans | 53.8 | 38.9 | 176.5 | -61.8 | -95.1 | 0 | 0 | 0 | 114.7 | W22 V95 F132 Y159 R162 G163 N167 F170 | W22-F165 PolarHBondContact NE1-O 2.67Å; W22-F165 VanDerWaalsContact NE1-O 3.09Å; V95-F165 HydrophobicContact CG1-CB 3.59Å; V95-F165 HydrophobicContact CG1-CD1 3.89Å; V95-F165 HydrophobicContact CG1-CD2 3.74Å; V95-F165 HydrophobicContact CG1-CE2 4.39Å; V95-F165 HydrophobicContact CG1-CG 3.45Å; V95-F165 VanDerWaalsContact CG1-CG 3.45Å; F132-F165 HydrophobicContact CB-CE1 4.11Å; F132-F165 HydrophobicContact CB-CZ 4.08Å; Y159-F165 HydrophobicContact CD2-CE1 4.15Å; Y159-F165 AromaticContact CD2-CZ 3.97Å; Y159-F165 HydrophobicContact CD2-CZ 3.97Å; Y159-F165 HydrophobicContact CE2-CE1 4.46Å; R162-F165 HydrophobicContact CB-CD1 3.99Å; R162-F165 HydrophobicContact CB-CE1 3.6Å; R162-F165 HydrophobicContact CB-CE2 4.22Å; R162-F165 HydrophobicContact CB-CG 4.46Å; R162-F165 HydrophobicContact CB-CZ 3.73Å; R162-F165 HydrophobicContact CG-CD1 4.49Å; R162-F165 HydrophobicContact CG-CE1 3.91Å; R162-F165 HydrophobicContact CG-CZ 4.32Å; R162-F165 PolarHBondContact O-N 2.96Å; G163-F165 VanDerWaalsContact C-N 3.28Å; G163-F165 PolarHBondContact O-N 3.14Å; F165-N167 VanDerWaalsContact C-N 3.34Å; F165-N167 PolarHBondContact O-N 3.07Å; F165-F170 HydrophobicContact CD1-CD1 4.44Å; F165-F170 AromaticContact CD1-CE1 3.6Å; F165-F170 HydrophobicContact CD1-CE1 3.6Å; F165-F170 HydrophobicContact CD1-CE2 4.14Å; F165-F170 AromaticContact CD1-CZ 3.41Å; F165-F170 HydrophobicContact CD1-CZ 3.41Å; F165-F170 VanDerWaalsContact CD1-CZ 3.41Å; F165-F170 HydrophobicContact CE1-CE1 4.12Å; F165-F170 HydrophobicContact CE1-CE2 4.14Å; F165-F170 AromaticContact CE1-CZ 3.48Å; F165-F170 HydrophobicContact CE1-CZ 3.48Å; F165-F170 VanDerWaalsContact CE1-CZ 3.48Å; F165-F170 HydrophobicContact CG-CE1 4.42Å |
| 166 | Q | 97.3 | Very high | 98.3 | Very high | 108 Ų | 108 | 58.4 Ų | 58.4 | 51% | 0.505 | 30% | 0.301 | S | S | . | . | trans | -91.3 | 13.3 | -177.4 | -63.3 | 177.6 | -57.8 | 0 | 0 | 114 | H164 | H164-Q166 VanDerWaalsContact C-N 3.29Å; H164-Q166 HydrophobicContact CB-CG 4.23Å; H164-Q166 WeakPolarHBondContact O-CG 3.3Å; H164-Q166 PolarHBondContact O-N 2.64Å; H164-Q166 VanDerWaalsContact O-N 3.15Å | ||
| 167 | N | 96.6 | Very high | 98.2 | Very high | 98 Ų | 98 | 55.6 Ų | 55.6 | 52% | 0.524 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -70.9 | 162.8 | 174.7 | -65.8 | 91.2 | 0 | 0 | 0 | 112.1 | N21 W22 F165 Q169 | N21-N167 CarbonylContact C-O 3.48Å; N21-N167 WeakPolarHBondContact CA-O 3.43Å; W22-N167 PolarHBondContact N-O 2.97Å; F165-N167 VanDerWaalsContact C-N 3.34Å; F165-N167 PolarHBondContact O-N 3.07Å; N167-Q169 VanDerWaalsContact C-N 3.32Å; N167-Q169 PolarHBondContact O-N 2.85Å |
| 168 | T | 97.3 | Very high | 98.2 | Very high | 103 Ų | 103 | 57.8 Ų | 57.8 | 63% | 0.632 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -80.8 | -8.3 | -176.7 | 57 | 0 | 0 | 0 | 0 | 114.9 | N21 W25 | N21-T168 VanDerWaalsContact O-CA 3.32Å; N21-T168 WeakPolarHBondContact O-CA 3.43Å; W25-T168 WeakPolarHBondContact CB-O 3.31Å |
| 169 | Q | 98.1 | Very high | 98.1 | Very high | 111 Ų | 111 | 59.1 Ų | 59.1 | 52% | 0.519 | 30% | 0.298 | S | S | . | . | trans | -143 | 150.5 | -179.1 | -56.9 | -173.2 | 10.7 | 0 | 0 | 109.8 | W25 N167 | W25-Q169 HydrophobicContact CD2-CB 4.05Å; W25-Q169 HydrophobicContact CD2-CG 4.11Å; W25-Q169 HydrophobicContact CE3-CB 4.39Å; W25-Q169 HydrophobicContact CG-CB 4.44Å; W25-Q169 HydrophobicContact CG-CG 4.03Å; W25-Q169 HydrophobicContact CZ2-CB 4.3Å; N167-Q169 VanDerWaalsContact C-N 3.32Å; N167-Q169 PolarHBondContact O-N 2.85Å | ||
| 170 | F | 98.4 | Very high | 97.9 | Very high | 6 Ų | 6 | 57.9 Ų | 57.9 | 3% | 0.026 | 29% | 0.294 | C | S | . | . | trans | -145.7 | 74.9 | 178 | -161.5 | 177.2 | 0 | 0 | 0 | 111.4 | W22 W25 V95 F132 F165 E172 L173 | W22-F170 HydrophobicContact CB-CB 3.9Å; W22-F170 HydrophobicContact CD2-CB 4.3Å; W22-F170 HydrophobicContact CD2-CD1 4.1Å; W22-F170 AromaticContact CE2-CD1 3.91Å; W22-F170 HydrophobicContact CG-CB 3.86Å; W22-F170 HydrophobicContact CG-CD1 4.19Å; W22-F170 HydrophobicContact CZ2-CD1 4.42Å; W22-F170 AromaticContact NE1-CD1 3.9Å; W25-F170 VanDerWaalsContact CZ3-C 3.47Å; W25-F170 VanDerWaalsContact CZ3-N 3.3Å; W25-F170 WeakPolarHBondContact CZ3-O 3.41Å; V95-F170 HydrophobicContact CG1-CE1 3.84Å; V95-F170 HydrophobicContact CG2-CE1 3.96Å; F132-F170 HydrophobicContact CB-CE1 4.48Å; F132-F170 HydrophobicContact CB-CZ 3.98Å; F132-F170 HydrophobicContact CD1-CE1 4.48Å; F132-F170 AromaticContact CD1-CE2 3.99Å; F132-F170 HydrophobicContact CD1-CE2 3.99Å; F132-F170 AromaticContact CD1-CZ 3.49Å; F132-F170 HydrophobicContact CD1-CZ 3.49Å; F132-F170 VanDerWaalsContact CD1-CZ 3.49Å; F132-F170 HydrophobicContact CD2-CZ 4.42Å; F132-F170 HydrophobicContact CE1-CE2 4.23Å; F132-F170 HydrophobicContact CE1-CZ 4.07Å; F132-F170 HydrophobicContact CG-CE1 4.33Å; F132-F170 AromaticContact CG-CZ 3.72Å; F132-F170 HydrophobicContact CG-CZ 3.72Å; F165-F170 HydrophobicContact CD1-CD1 4.44Å; F165-F170 AromaticContact CD1-CE1 3.6Å; F165-F170 HydrophobicContact CD1-CE1 3.6Å; F165-F170 HydrophobicContact CD1-CE2 4.14Å; F165-F170 AromaticContact CD1-CZ 3.41Å; F165-F170 HydrophobicContact CD1-CZ 3.41Å; F165-F170 VanDerWaalsContact CD1-CZ 3.41Å; F165-F170 HydrophobicContact CE1-CE1 4.12Å; F165-F170 HydrophobicContact CE1-CE2 4.14Å; F165-F170 AromaticContact CE1-CZ 3.48Å; F165-F170 HydrophobicContact CE1-CZ 3.48Å; F165-F170 VanDerWaalsContact CE1-CZ 3.48Å; F165-F170 HydrophobicContact CG-CE1 4.42Å; F170-E172 VanDerWaalsContact C-N 3.29Å; F170-E172 HydrophobicContact CD2-CB 4.28Å; F170-E172 WeakPolarHBondContact CD2-OE2 3.36Å; F170-E172 HydrophobicContact CE2-CB 4.02Å; F170-E172 PolarHBondContact O-N 3.33Å; F170-L173 HydrophobicContact CB-CB 4.08Å; F170-L173 HydrophobicContact CD1-CB 3.69Å; F170-L173 HydrophobicContact CD1-CD2 4.07Å; F170-L173 HydrophobicContact CD1-CG 4.44Å; F170-L173 HydrophobicContact CD2-CB 4.1Å; F170-L173 HydrophobicContact CE1-CB 4.13Å; F170-L173 HydrophobicContact CG-CB 3.67Å; F170-L173 WeakPolarHBondContact O-CB 3.26Å; F170-L173 PolarHBondContact O-N 3.5Å | ||
| 171 | P | 98.5 | Very high | 97.7 | Very high | 64 Ų | 64 | 56.1 Ų | 56.1 | 42% | 0.416 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -53.8 | -41.2 | -178.3 | -27.5 | 36.9 | 0 | 0 | 0 | 114.6 | W25 L173 I174 D175 | W25-P171 HydrophobicContact CH2-CG 4.31Å; P171-L173 VanDerWaalsContact C-N 3.25Å; P171-L173 PolarHBondContact O-N 2.58Å; P171-I174 WeakPolarHBondContact O-CB 3.31Å; P171-I174 PolarHBondContact O-N 3.35Å; P171-D175 PolarHBondContact O-N 3.04Å; P171-D175 VanDerWaalsContact O-N 3.11Å |
| 172 | E | 98.6 | Very high | 97.4 | Very high | 52 Ų | 52 | 55.9 Ų | 55.9 | 24% | 0.243 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.9 | -30.4 | -176.5 | -57.2 | 91.6 | 149.9 | 0 | 0 | 112.1 | F132 Y159 R162 F170 D175 A176 | F132-E172 HydrophobicContact CE1-CB 4.07Å; Y159-E172 WeakPolarHBondContact OH-CG 3.44Å; R162-E172 IonicContact CZ-OE1 3.94Å; R162-E172 IonicContact NH2-OE1 3.28Å; R162-E172 PolarHBondContact NH2-OE1 3.27Å; F170-E172 VanDerWaalsContact C-N 3.29Å; F170-E172 HydrophobicContact CD2-CB 4.28Å; F170-E172 WeakPolarHBondContact CD2-OE2 3.36Å; F170-E172 HydrophobicContact CE2-CB 4.02Å; F170-E172 PolarHBondContact O-N 3.33Å; E172-D175 PolarHBondContact O-N 2.82Å; E172-A176 PolarHBondContact O-N 3.36Å; E172-A176 VanDerWaalsContact O-N 3.08Å |
| 173 | L | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63 | -42.4 | 171 | 172.6 | 67.1 | 0 | 0 | 0 | 111.5 | W22 A26 I71 I93 F132 F170 P171 D175 A176 V177 | W22-L173 HydrophobicContact CD2-CD2 4.21Å; W22-L173 HydrophobicContact CE3-CD2 3.51Å; W22-L173 HydrophobicContact CH2-CD2 3.74Å; W22-L173 HydrophobicContact CZ2-CD2 4.39Å; W22-L173 HydrophobicContact CZ3-CD2 3.25Å; A26-L173 HydrophobicContact CB-CD2 4.04Å; I71-L173 HydrophobicContact CD1-CD1 4.44Å; I71-L173 HydrophobicContact CG2-CD1 3.78Å; I71-L173 HydrophobicContact CG2-CD2 4.13Å; I93-L173 HydrophobicContact CB-CD1 4.36Å; I93-L173 HydrophobicContact CD1-CD1 4.11Å; I93-L173 HydrophobicContact CG2-CD1 3.51Å; F132-L173 HydrophobicContact CE2-CD1 4.31Å; F170-L173 HydrophobicContact CB-CB 4.08Å; F170-L173 HydrophobicContact CD1-CB 3.69Å; F170-L173 HydrophobicContact CD1-CD2 4.07Å; F170-L173 HydrophobicContact CD1-CG 4.44Å; F170-L173 HydrophobicContact CD2-CB 4.1Å; F170-L173 HydrophobicContact CE1-CB 4.13Å; F170-L173 HydrophobicContact CG-CB 3.67Å; F170-L173 WeakPolarHBondContact O-CB 3.26Å; F170-L173 PolarHBondContact O-N 3.5Å; P171-L173 VanDerWaalsContact C-N 3.25Å; P171-L173 PolarHBondContact O-N 2.58Å; L173-D175 VanDerWaalsContact C-N 3.32Å; L173-D175 PolarHBondContact O-N 3.03Å; L173-A176 WeakPolarHBondContact O-CB 3.2Å; L173-A176 PolarHBondContact O-N 2.85Å; L173-V177 WeakPolarHBondContact O-CG2 3.4Å; L173-V177 PolarHBondContact O-N 3.3Å |
| 174 | I | 98.6 | Very high | 96 | Very high | 12 Ų | 12 | 58 Ų | 58 | 6% | 0.062 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -67.6 | -38.1 | -179.7 | -53.4 | -52.4 | 0 | 0 | 0 | 110.6 | W25 A26 Q29 I30 P171 A176 V177 R178 | W25-I174 HydrophobicContact CH2-CD1 4.45Å; W25-I174 HydrophobicContact CH2-CG1 3.58Å; W25-I174 HydrophobicContact CZ3-CD1 3.94Å; W25-I174 HydrophobicContact CZ3-CG1 3.5Å; A26-I174 HydrophobicContact CB-CD1 4.09Å; Q29-I174 HydrophobicContact CB-CD1 3.71Å; Q29-I174 HydrophobicContact CB-CG1 3.85Å; Q29-I174 HydrophobicContact CB-CG2 4.15Å; Q29-I174 HydrophobicContact CG-CD1 4.42Å; Q29-I174 HydrophobicContact CG-CG1 4.24Å; I30-I174 HydrophobicContact CD1-CD1 4.47Å; I30-I174 HydrophobicContact CG1-CD1 3.95Å; P171-I174 WeakPolarHBondContact O-CB 3.31Å; P171-I174 PolarHBondContact O-N 3.35Å; I174-A176 VanDerWaalsContact C-N 3.31Å; I174-A176 PolarHBondContact O-N 3.23Å; I174-V177 PolarHBondContact O-N 2.92Å; I174-R178 WeakPolarHBondContact O-CG 3.34Å; I174-R178 PolarHBondContact O-N 3.24Å |
| 175 | D | 98.4 | Very high | 95.8 | Very high | 87 Ų | 87 | 60.1 Ų | 60.1 | 47% | 0.465 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.4 | -39.6 | 174 | -71.3 | -18.7 | 0 | 0 | 0 | 111.6 | P171 E172 L173 R178 K179 | P171-D175 PolarHBondContact O-N 3.04Å; P171-D175 VanDerWaalsContact O-N 3.11Å; E172-D175 PolarHBondContact O-N 2.82Å; L173-D175 VanDerWaalsContact C-N 3.32Å; L173-D175 PolarHBondContact O-N 3.03Å; D175-R178 PolarHBondContact O-N 3.31Å; D175-K179 VanDerWaalsContact O-CG 3.29Å; D175-K179 WeakPolarHBondContact O-CG 3.46Å; D175-K179 PolarHBondContact O-N 3.23Å |
| 176 | A | 98.4 | Very high | 95.7 | Very high | 6 Ų | 6 | 63 Ų | 63 | 5% | 0.05 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.6 | -46.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | I93 V130 F132 E172 L173 I174 R178 K179 L180 | I93-A176 HydrophobicContact CD1-CB 4.32Å; V130-A176 HydrophobicContact CG1-CB 4.37Å; F132-A176 HydrophobicContact CE2-CB 4.13Å; F132-A176 HydrophobicContact CZ-CB 3.84Å; E172-A176 PolarHBondContact O-N 3.36Å; E172-A176 VanDerWaalsContact O-N 3.08Å; L173-A176 WeakPolarHBondContact O-CB 3.2Å; L173-A176 PolarHBondContact O-N 2.85Å; I174-A176 VanDerWaalsContact C-N 3.31Å; I174-A176 PolarHBondContact O-N 3.23Å; A176-R178 VanDerWaalsContact C-N 3.32Å; A176-R178 PolarHBondContact O-N 3.28Å; A176-K179 PolarHBondContact O-N 3.18Å; A176-L180 WeakPolarHBondContact O-CG 3.49Å; A176-L180 PolarHBondContact O-N 2.86Å |
| 177 | V | 98.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -58.3 | -43.9 | 176.2 | 175.8 | 0 | 0 | 0 | 0 | 111.2 | I30 I33 M36 I71 I93 L173 I174 K179 L180 R181 | I30-V177 HydrophobicContact CD1-CG2 4.25Å; I30-V177 HydrophobicContact CG1-CG1 4.37Å; I30-V177 HydrophobicContact CG1-CG2 4.43Å; I30-V177 HydrophobicContact CG2-CG1 4.43Å; I33-V177 HydrophobicContact CD1-CG1 3.78Å; M36-V177 HydrophobicContact CE-CG1 3.86Å; M36-V177 HydrophobicContact SD-CG1 4.13Å; I71-V177 HydrophobicContact CD1-CG2 3.94Å; I93-V177 HydrophobicContact CD1-CG2 3.61Å; L173-V177 WeakPolarHBondContact O-CG2 3.4Å; L173-V177 PolarHBondContact O-N 3.3Å; I174-V177 PolarHBondContact O-N 2.92Å; V177-K179 PolarHBondContact O-N 3.43Å; V177-L180 PolarHBondContact O-N 3.4Å; V177-R181 WeakPolarHBondContact O-CB 3.5Å; V177-R181 PolarHBondContact O-N 2.82Å |
| 178 | R | 97.6 | Very high | 95.6 | Very high | 107 Ų | 107 | 58.3 Ų | 58.3 | 40% | 0.404 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.8 | -40.6 | 177.6 | -72.4 | 179.2 | -178.4 | -74.4 | -5.1 | 112.6 | I33 I174 D175 A176 R181 A182 | I33-R178 HydrophobicContact CD1-CG 3.85Å; I33-R178 HydrophobicContact CG1-CG 4.39Å; I174-R178 WeakPolarHBondContact O-CG 3.34Å; I174-R178 PolarHBondContact O-N 3.24Å; D175-R178 PolarHBondContact O-N 3.31Å; A176-R178 VanDerWaalsContact C-N 3.32Å; A176-R178 PolarHBondContact O-N 3.28Å; R178-R181 PolarHBondContact O-N 2.91Å; R178-A182 WeakPolarHBondContact O-CB 3.47Å; R178-A182 PolarHBondContact O-N 3.4Å |
| 179 | K | 96.5 | Very high | 95.5 | Very high | 142 Ų | 142 | 55.5 Ų | 55.5 | 62% | 0.617 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -64 | -44.7 | 176.5 | -75.2 | 171.6 | -176.6 | 173.5 | 0 | 111.6 | D175 A176 V177 R181 A182 A183 | D175-K179 VanDerWaalsContact O-CG 3.29Å; D175-K179 WeakPolarHBondContact O-CG 3.46Å; D175-K179 PolarHBondContact O-N 3.23Å; A176-K179 PolarHBondContact O-N 3.18Å; V177-K179 PolarHBondContact O-N 3.43Å; K179-R181 VanDerWaalsContact C-N 3.33Å; K179-R181 PolarHBondContact O-N 3.05Å; K179-A182 PolarHBondContact O-N 2.96Å; K179-A183 PolarHBondContact O-N 3.38Å; K179-A183 VanDerWaalsContact O-N 3.15Å |
| 180 | L | 94.9 | Very high | 95.3 | Very high | 13 Ų | 13 | 51.8 Ų | 51.8 | 7% | 0.068 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.3 | -45.7 | 174.5 | -70.1 | -175.4 | 0 | 0 | 0 | 111.1 | L3 V69 F90 I93 H128 V130 A176 V177 A182 A183 A184 | L3-L180 HydrophobicContact CD2-CB 3.97Å; V69-L180 HydrophobicContact CG2-CD1 4Å; F90-L180 HydrophobicContact CE1-CB 4.26Å; I93-L180 HydrophobicContact CD1-CD1 4Å; I93-L180 HydrophobicContact CG1-CD1 4.03Å; H128-L180 HydrophobicContact CB-CD2 3.48Å; H128-L180 VanDerWaalsContact CB-CD2 3.48Å; V130-L180 HydrophobicContact CG2-CD2 4.4Å; A176-L180 WeakPolarHBondContact O-CG 3.49Å; A176-L180 PolarHBondContact O-N 2.86Å; V177-L180 PolarHBondContact O-N 3.4Å; L180-A182 VanDerWaalsContact C-N 3.31Å; L180-A182 PolarHBondContact O-N 2.66Å; L180-A183 PolarHBondContact O-N 2.88Å; L180-A183 VanDerWaalsContact O-N 3.13Å; L180-A184 PolarHBondContact O-N 3.15Å |
| 181 | R | 93.5 | Very high | 95.1 | Very high | 60 Ų | 60 | 55.1 Ų | 55.1 | 23% | 0.226 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.5 | -37.6 | 178.8 | -177.4 | 61.2 | -174.9 | 116.8 | -12.2 | 113.1 | L3 M36 V177 R178 K179 A183 A184 | L3-R181 HydrophobicContact CD2-CB 4.15Å; L3-R181 WeakPolarHBondContact O-CD 3.38Å; L3-R181 PolarHBondContact O-NE 2.74Å; L3-R181 VanDerWaalsContact O-NE 3.08Å; M36-R181 HydrophobicContact SD-CB 4.07Å; M36-R181 HydrophobicContact SD-CG 3.97Å; V177-R181 WeakPolarHBondContact O-CB 3.5Å; V177-R181 PolarHBondContact O-N 2.82Å; R178-R181 PolarHBondContact O-N 2.91Å; K179-R181 VanDerWaalsContact C-N 3.33Å; K179-R181 PolarHBondContact O-N 3.05Å; R181-A183 VanDerWaalsContact C-N 3.27Å; R181-A183 PolarHBondContact O-N 3.34Å; R181-A184 PolarHBondContact O-N 2.57Å |
| 182 | A | 91.8 | Very high | 94.8 | Very high | 90 Ų | 90 | 54.4 Ų | 54.4 | 74% | 0.744 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -72.4 | -20.6 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | R178 K179 L180 | R178-A182 WeakPolarHBondContact O-CB 3.47Å; R178-A182 PolarHBondContact O-N 3.4Å; K179-A182 PolarHBondContact O-N 2.96Å; L180-A182 VanDerWaalsContact C-N 3.31Å; L180-A182 PolarHBondContact O-N 2.66Å |
| 183 | A | 85.1 | Confident | 94.5 | Very high | 69 Ų | 69 | 54.6 Ų | 54.6 | 57% | 0.57 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -90.1 | -12.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | K179 L180 R181 | K179-A183 PolarHBondContact O-N 3.38Å; K179-A183 VanDerWaalsContact O-N 3.15Å; L180-A183 PolarHBondContact O-N 2.88Å; L180-A183 VanDerWaalsContact O-N 3.13Å; R181-A183 VanDerWaalsContact C-N 3.27Å; R181-A183 PolarHBondContact O-N 3.34Å |
| 184 | A | 81.8 | Confident | 94.1 | Very high | 69 Ų | 69 | 59.5 Ų | 59.5 | 57% | 0.57 | 34% | 0.343 | S | S | * | . | trans | -84.6 | 0 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L3 F90 L180 R181 | L3-A184 HydrophobicContact CB-CB 3.94Å; F90-A184 HydrophobicContact CE1-CB 4.48Å; F90-A184 HydrophobicContact CE2-CB 3.52Å; F90-A184 HydrophobicContact CZ-CB 3.4Å; L180-A184 PolarHBondContact O-N 3.15Å; R181-A184 PolarHBondContact O-N 2.57Å |
Retrieved 184 of 184 residues in 352.1 ms
(Link to these results)