| 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 | 42.2 | Very low | 87.3 | Confident | 231 Ų | 231 | 106.7 Ų | 106.7 | 100% | 1.138 | 54% | 0.542 | S | S | * | . | 0 | 125.9 | 0 | -83.2 | 177.7 | -91.9 | 0 | 0 | 105.9 | N3 | M1-N3 PolarHBondContact O-N 2.86Š| |||
| 2 | E | 62.5 | Low | 88.1 | Confident | 171 Ų | 171 | 98.1 Ų | 98.1 | 80% | 0.799 | 50% | 0.499 | S | S | * | . | trans | -70.7 | 114.3 | 173.6 | -71.8 | 177.4 | 168.1 | 0 | 0 | 107.5 | V4 | E2-V4 HydrophobicContact CB-CG2 3.97Å; E2-V4 PolarHBondContact O-N 3.2Å | ||
| 3 | N | 86.4 | Confident | 88.7 | Confident | 110 Ų | 110 | 96.6 Ų | 96.6 | 59% | 0.588 | 49% | 0.493 | S | S | * | . | trans | -75.6 | 78.2 | 173.4 | -71.7 | -14 | 0 | 0 | 0 | 108 | M1 D127 G128 | M1-N3 PolarHBondContact O-N 2.86Å; N3-D127 WeakPolarHBondContact O-CA 3.14Å; N3-G128 PolarHBondContact O-N 3.35Å | ||
| 4 | V | 94.7 | Very high | 89.3 | Confident | 60 Ų | 60 | 96.3 Ų | 96.3 | 36% | 0.364 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 119.5 | -179.3 | -178.2 | 0 | 0 | 0 | 0 | 108.9 | E2 V6 M41 V125 I126 D127 | E2-V4 HydrophobicContact CB-CG2 3.97Å; E2-V4 PolarHBondContact O-N 3.2Å; V4-V6 HydrophobicContact CG1-CG2 4.06Å; V4-M41 HydrophobicContact CG1-CE 4.01Å; V4-V125 HydrophobicContact CG1-CG1 3.98Å; V4-I126 CarbonylContact C-O 3.47Å; V4-I126 WeakPolarHBondContact CA-O 3.2Å; V4-D127 HydrophobicContact CG2-CB 4.01Å |
| 5 | F | 96.9 | Very high | 89.7 | Confident | 77 Ų | 77 | 90.7 Ų | 90.7 | 34% | 0.338 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 137.6 | 171.2 | 173.8 | -88.9 | 0 | 0 | 0 | 109.6 | K7 V125 I126 L132 V135 | F5-K7 HydrophobicContact CE1-CB 3.56Å; F5-K7 HydrophobicContact CZ-CB 3.85Å; F5-V125 CarbonylContact O-C 3.59Å; F5-V125 VanDerWaalsContact O-CA 3.31Å; F5-V125 WeakPolarHBondContact O-CA 3.43Å; F5-I126 HydrophobicContact CB-CB 4.31Å; F5-I126 HydrophobicContact CD1-CB 4.48Å; F5-I126 HydrophobicContact CD1-CD1 4.23Å; F5-I126 HydrophobicContact CD1-CG1 4.49Å; F5-I126 PolarHBondContact N-O 3.26Å; F5-I126 PolarHBondContact O-N 2.79Å; F5-L132 HydrophobicContact CB-CD1 3.59Å; F5-L132 HydrophobicContact CD1-CD1 4.03Å; F5-L132 HydrophobicContact CD2-CD1 4.17Å; F5-L132 HydrophobicContact CG-CD1 3.66Å; F5-V135 HydrophobicContact CD1-CG2 4.13Å; F5-V135 HydrophobicContact CE1-CB 3.81Å; F5-V135 HydrophobicContact CE1-CG1 4Å; F5-V135 HydrophobicContact CE1-CG2 3.55Å; F5-V135 HydrophobicContact CZ-CB 3.92Å; F5-V135 HydrophobicContact CZ-CG1 4.49Å; F5-V135 HydrophobicContact CZ-CG2 3.84Å |
| 6 | V | 97.3 | Very high | 90.2 | Very high | 65 Ų | 65 | 85.9 Ų | 85.9 | 39% | 0.394 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 123.4 | 177.2 | -176.5 | 0 | 0 | 0 | 0 | 109.6 | V4 T39 M41 I124 V125 | V4-V6 HydrophobicContact CG1-CG2 4.06Å; V6-T39 HydrophobicContact CG1-CG2 3.69Å; V6-M41 HydrophobicContact CG2-CE 4.11Å; V6-I124 WeakPolarHBondContact CA-O 3.38Å; V6-V125 HydrophobicContact CG1-CG2 4.23Å; V6-V125 HydrophobicContact CG2-CG1 4.49Å; V6-V125 HydrophobicContact CG2-CG2 4.19Å |
| 7 | K | 97.6 | Very high | 90.6 | Very high | 53 Ų | 53 | 81.1 Ų | 81.1 | 23% | 0.23 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 122.3 | 170.4 | 178.4 | 178.6 | -177.1 | -174.4 | 0 | 109.4 | F5 A123 I124 V135 T137 | F5-K7 HydrophobicContact CE1-CB 3.56Å; F5-K7 HydrophobicContact CZ-CB 3.85Å; K7-A123 CarbonylContact O-C 3.41Å; K7-A123 WeakPolarHBondContact O-CA 3.25Å; K7-I124 HydrophobicContact CB-CB 4.42Å; K7-I124 PolarHBondContact N-O 2.81Å; K7-I124 PolarHBondContact O-N 2.86Å; K7-V135 HydrophobicContact CD-CB 4.34Å; K7-V135 HydrophobicContact CD-CG1 3.85Å; K7-V135 PolarHBondContact NZ-O 2.86Å; K7-T137 PolarHBondContact NZ-OG1 3.08Å |
| 8 | K | 97.8 | Very high | 91 | Very high | 157 Ų | 157 | 76.6 Ų | 76.6 | 68% | 0.683 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 147.7 | 171.2 | -67.6 | -173.3 | 178.5 | -176.9 | 0 | 110.5 | T39 N122 | K8-T39 HydrophobicContact CG-CG2 4.45Å; K8-N122 WeakPolarHBondContact CA-O 3.36Å |
| 9 | L | 96.7 | Very high | 91.4 | Very high | 15 Ų | 15 | 74.6 Ų | 74.6 | 8% | 0.079 | 38% | 0.383 | C | S | . | . | trans | -113.7 | 135.3 | 174.5 | -62.9 | -178.3 | 0 | 0 | 0 | 109.2 | V121 N122 I124 T137 | L9-V121 HydrophobicContact CD1-CG1 3.93Å; L9-N122 PolarHBondContact N-O 2.88Å; L9-I124 HydrophobicContact CD1-CD1 4.14Å; L9-I124 HydrophobicContact CD1-CG1 3.77Å; L9-I124 HydrophobicContact CD2-CD1 3.79Å; L9-I124 HydrophobicContact CD2-CG1 4.12Å; L9-I124 HydrophobicContact CG-CD1 4.27Å; L9-I124 HydrophobicContact CG-CG1 4.03Å; L9-T137 HydrophobicContact CD2-CG2 3.65Å | ||
| 10 | D | 93.8 | Very high | 91.8 | Very high | 176 Ų | 176 | 70.9 Ų | 70.9 | 94% | 0.941 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -71.8 | -41.3 | 176.1 | -63.5 | -33.1 | 0 | 0 | 0 | 111 | ||
| 11 | S | 94.4 | Very high | 92.1 | Very high | 59 Ų | 59 | 68 Ų | 68 | 41% | 0.413 | 35% | 0.35 | S | S | . | . | trans | -150.2 | 158.7 | 171.9 | 69.7 | 0 | 0 | 0 | 0 | 111.2 | D13 | S11-D13 VanDerWaalsContact CB-OD2 3.3Å; S11-D13 WeakPolarHBondContact CB-OD2 3.27Å; S11-D13 PolarHBondContact OG-OD2 3.46Å | ||
| 12 | C | 96.6 | Very high | 94.8 | Very high | 3 Ų | 3 | 57 Ų | 57 | 2% | 0.02 | 30% | 0.296 | C | S | . | . | trans | -122.5 | 93.9 | 168.5 | -174.6 | 0 | 0 | 0 | 0 | 107.3 | L16 F118 V121 | C12-L16 HydrophobicContact CB-CD2 4.45Å; C12-F118 VanDerWaalsContact CB-O 3.3Å; C12-F118 WeakPolarHBondContact CB-O 3.3Å; C12-F118 VanDerWaalsContact O-CD2 3.27Å; C12-F118 WeakPolarHBondContact O-CD2 3.07Å; C12-F118 PolarHBondContact SG-O 2.83Å; C12-F118 VanDerWaalsContact SG-O 3.35Å; C12-V121 HydrophobicContact CB-CB 3.79Å; C12-V121 HydrophobicContact CB-CG1 4.35Å; C12-V121 WeakPolarHBondContact CB-O 3.33Å | ||
| 13 | D | 96.2 | Very high | 96.5 | Very high | 79 Ų | 79 | 51.7 Ų | 51.7 | 42% | 0.422 | 27% | 0.272 | S | S | . | . | trans | -106.7 | 159.2 | -176.4 | -67.2 | -57.6 | 0 | 0 | 0 | 111.2 | S11 G15 L16 | S11-D13 VanDerWaalsContact CB-OD2 3.3Å; S11-D13 WeakPolarHBondContact CB-OD2 3.27Å; S11-D13 PolarHBondContact OG-OD2 3.46Å; D13-G15 PolarHBondContact O-N 2.84Å; D13-L16 WeakPolarHBondContact O-CB 2.95Å; D13-L16 PolarHBondContact O-N 3.12Å | ||
| 14 | N | 96.4 | Very high | 97 | Very high | 92 Ų | 92 | 46.5 Ų | 46.5 | 49% | 0.492 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | 132 | 168.1 | 179.3 | -89.6 | 0 | 0 | 0 | 110.3 | E96 H97 F118 | N14-E96 VanDerWaalsContact ND2-C 3.28Å; N14-E96 WeakPolarHBondContact ND2-CA 3.2Å; N14-H97 PolarHBondContact ND2-N 2.65Å; N14-F118 HydrophobicContact CB-CZ 4.43Å |
| 15 | G | 96.2 | Very high | 97.2 | Very high | 12 Ų | 12 | 45 Ų | 45 | 12% | 0.124 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.7 | -1.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | D13 I17 V95 V140 | D13-G15 PolarHBondContact O-N 2.84Å; G15-I17 PolarHBondContact O-N 3.09Å; G15-V95 PolarHBondContact N-O 3.39Å; G15-V140 WeakPolarHBondContact O-CG2 3.25Å |
| 16 | L | 96.7 | Very high | 97.1 | Very high | 14 Ų | 14 | 49.2 Ų | 49.2 | 7% | 0.073 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 129.2 | 172 | -178.4 | 67.7 | 0 | 0 | 0 | 110.1 | C12 D13 I18 V95 | C12-L16 HydrophobicContact CB-CD2 4.45Å; D13-L16 WeakPolarHBondContact O-CB 2.95Å; D13-L16 PolarHBondContact O-N 3.12Å; L16-I18 HydrophobicContact CD2-CD1 4.3Å; L16-I18 HydrophobicContact CD2-CG1 4.08Å; L16-I18 HydrophobicContact CG-CG1 4.19Å; L16-V95 HydrophobicContact CB-CB 4.29Å; L16-V95 HydrophobicContact CB-CG2 4.01Å; L16-V95 PolarHBondContact O-N 3.32Å |
| 17 | I | 97.7 | Very high | 97 | Very high | 5 Ų | 5 | 52.7 Ų | 52.7 | 3% | 0.026 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 123.8 | 170.9 | -59.4 | 167.6 | 0 | 0 | 0 | 108.4 | G15 L92 I93 L94 T137 Q138 I277 F280 | G15-I17 PolarHBondContact O-N 3.09Å; I17-L92 HydrophobicContact CG2-CD2 4.22Å; I17-I93 WeakPolarHBondContact CA-O 3.45Å; I17-L94 HydrophobicContact CG1-CD1 3.78Å; I17-T137 CarbonylContact O-C 3.53Å; I17-T137 VanDerWaalsContact O-CA 3.31Å; I17-T137 WeakPolarHBondContact O-CA 3.37Å; I17-Q138 PolarHBondContact N-O 2.65Å; I17-Q138 PolarHBondContact O-N 2.99Å; I17-I277 HydrophobicContact CB-CG2 4.14Å; I17-I277 HydrophobicContact CD1-CG2 3.98Å; I17-I277 WeakPolarHBondContact CD1-O 3.39Å; I17-I277 HydrophobicContact CG2-CG2 3.94Å; I17-F280 HydrophobicContact CD1-CB 4.43Å; I17-F280 HydrophobicContact CD1-CD1 4.13Å; I17-F280 HydrophobicContact CG1-CD1 4.3Å; I17-F280 HydrophobicContact CG2-CD1 4.08Å; I17-F280 HydrophobicContact CG2-CE1 4.44Å |
| 18 | I | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 123.3 | 174.5 | -51.4 | 174.1 | 0 | 0 | 0 | 107.9 | L16 I20 L35 L92 I93 I124 E136 T137 | L16-I18 HydrophobicContact CD2-CD1 4.3Å; L16-I18 HydrophobicContact CD2-CG1 4.08Å; L16-I18 HydrophobicContact CG-CG1 4.19Å; I18-I20 HydrophobicContact CG2-CD1 3.73Å; I18-I20 HydrophobicContact CG2-CG1 4.48Å; I18-L35 HydrophobicContact CD1-CD1 3.9Å; I18-L35 HydrophobicContact CD1-CD2 3.63Å; I18-L35 HydrophobicContact CD1-CG 4.45Å; I18-L92 CarbonylContact O-C 3.48Å; I18-L92 WeakPolarHBondContact O-CA 3.28Å; I18-I93 HydrophobicContact CB-CB 4.25Å; I18-I93 PolarHBondContact N-O 3.26Å; I18-I93 PolarHBondContact O-N 3.26Å; I18-I124 HydrophobicContact CD1-CD1 4.34Å; I18-I124 HydrophobicContact CG2-CD1 3.44Å; I18-I124 VanDerWaalsContact CG2-CD1 3.44Å; I18-I124 HydrophobicContact CG2-CG1 4.47Å; I18-E136 WeakPolarHBondContact CA-O 3.46Å; I18-T137 HydrophobicContact CG1-CG2 4.35Å; I18-T137 HydrophobicContact CG2-CG2 4.44Å |
| 19 | R | 98.2 | Very high | 96.9 | Very high | 39 Ų | 39 | 51 Ų | 51 | 15% | 0.147 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 128.3 | 178.1 | 179.1 | 176 | 179.9 | -86.2 | -11 | 110.5 | E90 V91 L92 V135 E136 | R19-E90 HydrophobicContact CG-CG 4.43Å; R19-E90 IonicContact CZ-OE1 3.13Å; R19-E90 IonicContact NE-OE1 2.74Å; R19-E90 PolarHBondContact NE-OE1 2.84Å; R19-E90 IonicContact NH2-OE1 3.9Å; R19-E90 PolarHBondContact NH2-OE1 3Å; R19-V91 WeakPolarHBondContact CA-O 3.15Å; R19-L92 HydrophobicContact CB-CD2 3.53Å; R19-L92 HydrophobicContact CG-CD2 3.61Å; R19-V135 CarbonylContact O-C 3.56Å; R19-V135 VanDerWaalsContact O-CA 3.3Å; R19-V135 WeakPolarHBondContact O-CA 3.09Å; R19-E136 HydrophobicContact CB-CB 4.3Å; R19-E136 IonicContact CZ-OE2 3.23Å; R19-E136 PolarHBondContact N-O 2.87Å; R19-E136 IonicContact NH1-OE2 3.13Å; R19-E136 PolarHBondContact NH1-OE2 3.06Å; R19-E136 PolarHBondContact O-N 3.04Å |
| 20 | I | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 118.5 | 174.9 | -55.1 | 90.7 | 0 | 0 | 0 | 107.4 | I18 I33 F89 E90 V91 I93 I126 L132 A134 V135 | I18-I20 HydrophobicContact CG2-CD1 3.73Å; I18-I20 HydrophobicContact CG2-CG1 4.48Å; I20-I33 HydrophobicContact CB-CD1 4.24Å; I20-I33 HydrophobicContact CD1-CD1 4.34Å; I20-I33 HydrophobicContact CD1-CG2 4.08Å; I20-I33 HydrophobicContact CG1-CD1 4.3Å; I20-I33 HydrophobicContact CG1-CG2 4.29Å; I20-I33 HydrophobicContact CG2-CD1 4.16Å; I20-F89 HydrophobicContact CG2-CE2 4.27Å; I20-E90 CarbonylContact O-C 3.51Å; I20-E90 WeakPolarHBondContact O-CA 3.25Å; I20-V91 HydrophobicContact CB-CB 4.36Å; I20-V91 HydrophobicContact CD1-CB 4.47Å; I20-V91 HydrophobicContact CD1-CG1 4.47Å; I20-V91 PolarHBondContact N-O 3.23Å; I20-V91 PolarHBondContact O-N 3.29Å; I20-I93 HydrophobicContact CD1-CD1 4.1Å; I20-I93 HydrophobicContact CD1-CG1 4.45Å; I20-I126 HydrophobicContact CG1-CD1 4.16Å; I20-I126 HydrophobicContact CG2-CD1 3.74Å; I20-L132 HydrophobicContact CG2-CD2 3.83Å; I20-A134 WeakPolarHBondContact CA-O 3.22Å; I20-V135 HydrophobicContact CG2-CG2 4.48Å |
| 21 | A | 98.6 | Very high | 97.1 | Very high | 10 Ų | 10 | 46.3 Ų | 46.3 | 8% | 0.083 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 140.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | F89 Y133 A134 | A21-F89 WeakPolarHBondContact CA-O 3.21Å; A21-Y133 PolarHBondContact O-N 2.74Å; A21-A134 HydrophobicContact CB-CB 4.24Å; A21-A134 PolarHBondContact N-O 3.48Å; A21-A134 PolarHBondContact O-N 3.29Å |
| 22 | G | 98.4 | Very high | 97.3 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -173.3 | -163.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q88 F89 T131 | G22-Q88 CarbonylContact O-C 3.48Å; G22-Q88 VanDerWaalsContact O-CA 3.25Å; G22-Q88 WeakPolarHBondContact O-CA 3.3Å; G22-F89 PolarHBondContact N-O 2.85Å; G22-F89 PolarHBondContact O-N 2.84Å; G22-T131 CarbonylContact C-O 3.51Å; G22-T131 WeakPolarHBondContact CA-O 3.33Å |
| 23 | E | 98.3 | Very high | 97.4 | Very high | 59 Ų | 59 | 43.5 Ų | 43.5 | 28% | 0.276 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 141.1 | 178.1 | -179 | -168.2 | 160.7 | 0 | 0 | 109.5 | P25 Q88 T131 Y133 | E23-P25 WeakPolarHBondContact O-CD 3.13Å; E23-Q88 HydrophobicContact CB-CG 4.38Å; E23-T131 PolarHBondContact N-O 3.01Å; E23-T131 PolarHBondContact O-N 3.34Å; E23-Y133 HydrophobicContact CB-CE1 4.49Å; E23-Y133 HydrophobicContact CB-CE2 4.14Å; E23-Y133 WeakPolarHBondContact CB-OH 3.35Å; E23-Y133 PolarHBondContact OE2-OH 2.82Å |
| 24 | V | 98.2 | Very high | 97.5 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.006 | 19% | 0.189 | C | C | . | . | trans | -89.2 | 118.1 | 172.2 | -175.4 | 0 | 0 | 0 | 0 | 108.4 | A28 F31 F55 F83 K84 L85 G86 E87 F89 | V24-A28 HydrophobicContact CG1-CB 3.57Å; V24-F31 HydrophobicContact CG2-CE1 3.88Å; V24-F55 HydrophobicContact CB-CZ 4.42Å; V24-F55 HydrophobicContact CG1-CE1 4.11Å; V24-F55 HydrophobicContact CG1-CE2 3.76Å; V24-F55 HydrophobicContact CG1-CZ 3.44Å; V24-F55 VanDerWaalsContact CG1-CZ 3.44Å; V24-F55 HydrophobicContact CG2-CZ 4.22Å; V24-F83 HydrophobicContact CG2-CB 4.46Å; V24-F83 HydrophobicContact CG2-CD1 4.46Å; V24-K84 WeakPolarHBondContact CB-O 3.44Å; V24-L85 HydrophobicContact CG1-CD2 3.96Å; V24-G86 VanDerWaalsContact O-CA 3.22Å; V24-G86 WeakPolarHBondContact O-CA 3.33Å; V24-G86 PolarHBondContact O-N 2.83Å; V24-E87 PolarHBondContact N-O 3.27Å; V24-F89 HydrophobicContact CG2-CD1 3.73Å; V24-F89 HydrophobicContact CG2-CE1 4.02Å | ||
| 25 | P | 97.2 | Very high | 97.6 | Very high | 29 Ų | 29 | 35.4 Ų | 35.4 | 19% | 0.188 | 17% | 0.166 | C | C | . | . | trans | -55.6 | 151.8 | 173.9 | -25.7 | 34.2 | 0 | 0 | 0 | 113.3 | E23 D27 A28 L85 D129 | E23-P25 WeakPolarHBondContact O-CD 3.13Å; P25-D27 PolarHBondContact O-N 3.09Å; P25-A28 HydrophobicContact CB-CB 4.33Å; P25-A28 VanDerWaalsContact O-CB 3.28Å; P25-A28 WeakPolarHBondContact O-CB 3.43Å; P25-A28 PolarHBondContact O-N 2.94Å; P25-A28 VanDerWaalsContact O-N 3.16Å; P25-L85 WeakPolarHBondContact O-CD2 3.28Å; P25-D129 WeakPolarHBondContact CD-O 3.11Å | ||
| 26 | E | 96.5 | Very high | 97.8 | Very high | 165 Ų | 165 | 34.8 Ų | 34.8 | 77% | 0.771 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -27.3 | 179.9 | -71.1 | -171.2 | 175 | 0 | 0 | 113.9 | ||
| 27 | D | 94.9 | Very high | 97.8 | Very high | 137 Ų | 137 | 37.3 Ų | 37.3 | 73% | 0.733 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -106.6 | 14.6 | -178.7 | 66.8 | -28 | 0 | 0 | 0 | 113.4 | P25 | P25-D27 PolarHBondContact O-N 3.09Š|
| 28 | A | 96.3 | Very high | 97.8 | Very high | 6 Ų | 6 | 37.9 Ų | 37.9 | 5% | 0.05 | 18% | 0.181 | C | C | . | . | trans | -61 | 135.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V24 P25 F55 L85 D129 | V24-A28 HydrophobicContact CG1-CB 3.57Å; P25-A28 HydrophobicContact CB-CB 4.33Å; P25-A28 VanDerWaalsContact O-CB 3.28Å; P25-A28 WeakPolarHBondContact O-CB 3.43Å; P25-A28 PolarHBondContact O-N 2.94Å; P25-A28 VanDerWaalsContact O-N 3.16Å; A28-F55 HydrophobicContact CB-CD2 4.43Å; A28-F55 WeakPolarHBondContact O-CB 3.34Å; A28-L85 HydrophobicContact CB-CD2 3.85Å; A28-D129 HydrophobicContact CB-CB 3.62Å | ||
| 29 | R | 96.1 | Very high | 97.7 | Very high | 170 Ų | 170 | 40.5 Ų | 40.5 | 64% | 0.642 | 20% | 0.197 | S | C | * | . | trans | -98.7 | -41.8 | 173 | -62.9 | -177.2 | -64.2 | 169.5 | -0 | 111.3 | F55 D129 | R29-F55 PolarHBondContact O-N 3.05Å; R29-D129 WeakPolarHBondContact CB-OD2 3.23Å; R29-D129 PolarHBondContact N-OD2 2.9Å | ||
| 30 | W | 97.1 | Very high | 97.5 | Very high | 91 Ų | 91 | 42.5 Ų | 42.5 | 35% | 0.345 | 21% | 0.213 | S | C | . | . | B | Isolated β-bridge | trans | -165.6 | 157.5 | 176.5 | 65 | -78.7 | 0 | 0 | 0 | 110.3 | A32 P53 R54 D129 | W30-A32 HydrophobicContact CE3-CB 4.3Å; W30-A32 HydrophobicContact CZ3-CB 3.95Å; W30-P53 VanDerWaalsContact CA-O 3.26Å; W30-P53 WeakPolarHBondContact CA-O 3.2Å; W30-P53 WeakPolarHBondContact CB-O 3.41Å; W30-R54 HydrophobicContact CB-CG 4.17Å; W30-D129 PolarHBondContact N-OD2 2.66Å; W30-D129 WeakPolarHBondContact O-CB 3.38Å; W30-D129 PolarHBondContact O-N 2.86Å |
| 31 | F | 98.2 | Very high | 97.2 | Very high | 1 Ų | 1 | 45.1 Ų | 45.1 | 0% | 0.004 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 170.3 | 159.9 | 68.7 | -88 | 0 | 0 | 0 | 109.2 | V24 I33 S52 P53 F55 F83 F89 D127 V130 | V24-F31 HydrophobicContact CG2-CE1 3.88Å; F31-I33 HydrophobicContact CD2-CG1 4.47Å; F31-I33 HydrophobicContact CE2-CD1 4.26Å; F31-I33 HydrophobicContact CE2-CG1 4.25Å; F31-S52 VanDerWaalsContact O-CA 3.23Å; F31-S52 WeakPolarHBondContact O-CA 3.02Å; F31-S52 WeakPolarHBondContact O-CB 3.13Å; F31-S52 PolarHBondContact O-OG 3.23Å; F31-P53 HydrophobicContact CD1-CB 4.27Å; F31-P53 HydrophobicContact CD1-CG 4.37Å; F31-P53 HydrophobicContact CE1-CB 3.76Å; F31-P53 HydrophobicContact CE1-CG 3.7Å; F31-P53 HydrophobicContact CE2-CG 3.92Å; F31-P53 HydrophobicContact CZ-CB 4.08Å; F31-P53 HydrophobicContact CZ-CG 3.47Å; F31-P53 VanDerWaalsContact CZ-CG 3.47Å; F31-P53 PolarHBondContact N-O 2.97Å; F31-P53 WeakPolarHBondContact O-CD 3.3Å; F31-F55 HydrophobicContact CD1-CE2 4.3Å; F31-F55 HydrophobicContact CE1-CE2 4.3Å; F31-F83 HydrophobicContact CE1-CD1 4.21Å; F31-F83 HydrophobicContact CE1-CG 4.5Å; F31-F83 AromaticContact CZ-CD1 3.81Å; F31-F83 HydrophobicContact CZ-CD1 3.81Å; F31-F83 AromaticContact CZ-CE1 3.7Å; F31-F83 HydrophobicContact CZ-CE1 3.7Å; F31-F83 HydrophobicContact CZ-CG 4.39Å; F31-F83 HydrophobicContact CZ-CZ 4.18Å; F31-F89 HydrophobicContact CE2-CE2 4.42Å; F31-F89 HydrophobicContact CE2-CZ 4.02Å; F31-F89 HydrophobicContact CZ-CE1 4.09Å; F31-F89 HydrophobicContact CZ-CE2 4.39Å; F31-F89 AromaticContact CZ-CZ 3.97Å; F31-F89 HydrophobicContact CZ-CZ 3.97Å; F31-D127 CarbonylContact C-O 3.57Å; F31-D127 VanDerWaalsContact CA-O 3.28Å; F31-D127 WeakPolarHBondContact CA-O 3.44Å; F31-D127 WeakPolarHBondContact CB-O 3.41Å; F31-V130 HydrophobicContact CB-CB 3.85Å; F31-V130 HydrophobicContact CB-CG1 3.95Å; F31-V130 HydrophobicContact CD1-CB 4.48Å; F31-V130 HydrophobicContact CD2-CB 4.36Å; F31-V130 HydrophobicContact CG-CB 4.01Å; F31-V130 HydrophobicContact CG-CG1 4.42Å |
| 32 | A | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 141.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | W30 H50 I51 I126 D127 | W30-A32 HydrophobicContact CE3-CB 4.3Å; W30-A32 HydrophobicContact CZ3-CB 3.95Å; A32-H50 WeakPolarHBondContact CB-CE1 3.41Å; A32-I51 CarbonylContact C-O 3.54Å; A32-I51 VanDerWaalsContact CA-O 3.25Å; A32-I51 WeakPolarHBondContact CA-O 3.41Å; A32-I126 VanDerWaalsContact O-CA 3.24Å; A32-I126 WeakPolarHBondContact O-CA 3.44Å; A32-I126 WeakPolarHBondContact O-CG2 3.38Å; A32-D127 WeakPolarHBondContact CB-OD1 3.34Å; A32-D127 PolarHBondContact N-O 2.88Å; A32-D127 PolarHBondContact O-N 2.95Å; A32-D127 VanDerWaalsContact O-N 3.11Å |
| 33 | I | 98.8 | Very high | 96.5 | Very high | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 120.2 | 168.5 | -57.5 | 169 | 0 | 0 | 0 | 106.6 | I20 F31 I51 V91 I93 I126 | I20-I33 HydrophobicContact CB-CD1 4.24Å; I20-I33 HydrophobicContact CD1-CD1 4.34Å; I20-I33 HydrophobicContact CD1-CG2 4.08Å; I20-I33 HydrophobicContact CG1-CD1 4.3Å; I20-I33 HydrophobicContact CG1-CG2 4.29Å; I20-I33 HydrophobicContact CG2-CD1 4.16Å; F31-I33 HydrophobicContact CD2-CG1 4.47Å; F31-I33 HydrophobicContact CE2-CD1 4.26Å; F31-I33 HydrophobicContact CE2-CG1 4.25Å; I33-I51 HydrophobicContact CB-CB 4.45Å; I33-I51 PolarHBondContact N-O 3.42Å; I33-I51 PolarHBondContact O-N 3.09Å; I33-V91 HydrophobicContact CD1-CB 4.05Å; I33-V91 HydrophobicContact CD1-CG1 4.14Å; I33-V91 HydrophobicContact CD1-CG2 3.9Å; I33-I93 HydrophobicContact CG2-CD1 4.23Å; I33-I126 HydrophobicContact CG1-CG1 4.32Å; I33-I126 HydrophobicContact CG2-CG1 4.34Å |
| 34 | N | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 122.2 | -174.1 | -49.2 | -80.5 | 0 | 0 | 0 | 110.3 | Q36 R44 I47 L49 H50 I124 V125 D127 | N34-Q36 HydrophobicContact CB-CG 3.84Å; N34-R44 PolarHBondContact ND2-NH2 2.91Å; N34-I47 HydrophobicContact CB-CG2 3.91Å; N34-L49 CarbonylContact C-O 3.59Å; N34-L49 WeakPolarHBondContact CA-O 3.25Å; N34-H50 PolarHBondContact OD1-ND1 3.43Å; N34-I124 CarbonylContact O-C 3.56Å; N34-I124 WeakPolarHBondContact O-CA 3.44Å; N34-V125 WeakPolarHBondContact CA-O 3.35Å; N34-V125 HydrophobicContact CB-CB 4.21Å; N34-V125 VanDerWaalsContact CB-O 3.25Å; N34-V125 WeakPolarHBondContact CB-O 3.31Å; N34-V125 PolarHBondContact N-O 2.88Å; N34-V125 PolarHBondContact ND2-O 3.18Å; N34-V125 PolarHBondContact O-N 2.8Å; N34-D127 PolarHBondContact ND2-OD1 3.01Å |
| 35 | L | 98.8 | Very high | 96.4 | Very high | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 111.2 | 163.9 | -56.6 | -169.4 | 0 | 0 | 0 | 107.8 | I18 V48 L49 I93 Y100 V121 I124 | I18-L35 HydrophobicContact CD1-CD1 3.9Å; I18-L35 HydrophobicContact CD1-CD2 3.63Å; I18-L35 HydrophobicContact CD1-CG 4.45Å; L35-V48 PolarHBondContact O-N 3.42Å; L35-L49 HydrophobicContact CB-CB 4.14Å; L35-L49 HydrophobicContact CD1-CB 4.22Å; L35-L49 HydrophobicContact CD1-CD2 4Å; L35-L49 HydrophobicContact CG-CB 4.22Å; L35-L49 HydrophobicContact CG-CD2 4.43Å; L35-L49 PolarHBondContact N-O 2.72Å; L35-L49 PolarHBondContact O-N 3.07Å; L35-I93 HydrophobicContact CD1-CG2 4.49Å; L35-Y100 HydrophobicContact CD1-CD1 4.22Å; L35-Y100 HydrophobicContact CD1-CE1 3.71Å; L35-V121 HydrophobicContact CB-CG1 3.78Å; L35-V121 HydrophobicContact CB-CG2 4.03Å; L35-I124 HydrophobicContact CD2-CG1 3.85Å |
| 36 | Q | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 151.1 | -170.9 | -54.6 | -163.8 | 167 | 0 | 0 | 112.7 | N34 G38 D46 I47 V121 N122 A123 V125 | N34-Q36 HydrophobicContact CB-CG 3.84Å; Q36-G38 VanDerWaalsContact CB-O 3.24Å; Q36-G38 WeakPolarHBondContact CB-O 3.37Å; Q36-G38 PolarHBondContact NE2-O 3.43Å; Q36-D46 CarbonylContact C-O 3.54Å; Q36-D46 VanDerWaalsContact CA-O 3.3Å; Q36-D46 WeakPolarHBondContact CA-O 3.25Å; Q36-I47 HydrophobicContact CG-CG1 4.11Å; Q36-V121 WeakPolarHBondContact O-CA 3.27Å; Q36-N122 PolarHBondContact O-N 3.23Å; Q36-N122 PolarHBondContact O-OD1 3.04Å; Q36-A123 HydrophobicContact CB-CB 4.49Å; Q36-A123 PolarHBondContact N-O 2.91Å; Q36-A123 PolarHBondContact O-N 2.87Å; Q36-A123 VanDerWaalsContact O-N 3.16Å; Q36-V125 HydrophobicContact CG-CB 4.22Å; Q36-V125 HydrophobicContact CG-CG2 4.01Å |
| 37 | N | 98 | Very high | 96.5 | Very high | 67 Ų | 67 | 49.8 Ų | 49.8 | 36% | 0.358 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 81.6 | 162.3 | 177.8 | 15.3 | 0 | 0 | 0 | 108.8 | S45 D46 T120 N122 | N37-S45 WeakPolarHBondContact O-CB 3.22Å; N37-D46 HydrophobicContact CB-CB 4.45Å; N37-D46 PolarHBondContact N-O 3.07Å; N37-T120 WeakPolarHBondContact CB-O 3.46Å; N37-T120 PolarHBondContact OD1-O 2.81Å; N37-N122 PolarHBondContact OD1-ND2 3.39Å |
| 38 | G | 97 | Very high | 96.7 | Very high | 17 Ų | 17 | 43.3 Ų | 43.3 | 18% | 0.175 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 115.6 | 164.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q36 S45 N122 | Q36-G38 VanDerWaalsContact CB-O 3.24Å; Q36-G38 WeakPolarHBondContact CB-O 3.37Å; Q36-G38 PolarHBondContact NE2-O 3.43Å; G38-S45 VanDerWaalsContact C-OG 3.29Å; G38-N122 WeakPolarHBondContact CA-OD1 3.48Å; G38-N122 PolarHBondContact N-OD1 3.38Å |
| 39 | T | 95.8 | Very high | 96.8 | Very high | 54 Ų | 54 | 43 Ų | 43 | 33% | 0.331 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 3.8 | -179.1 | 60.5 | 0 | 0 | 0 | 0 | 113.3 | V6 K8 S45 A123 | V6-T39 HydrophobicContact CG1-CG2 3.69Å; K8-T39 HydrophobicContact CG-CG2 4.45Å; T39-S45 PolarHBondContact N-OG 3.14Å; T39-A123 HydrophobicContact CG2-CB 3.61Å |
| 40 | V | 95 | Very high | 97 | Very high | 81 Ų | 81 | 35.4 Ų | 35.4 | 49% | 0.491 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 133.2 | 178.7 | -174.3 | 0 | 0 | 0 | 0 | 108.8 | P43 S45 | V40-P43 WeakPolarHBondContact CG1-O 3.42Å; V40-S45 WeakPolarHBondContact CA-OG 3.4Å; V40-S45 WeakPolarHBondContact CB-OG 3.29Å; V40-S45 PolarHBondContact N-OG 3.42Å; V40-S45 WeakPolarHBondContact O-CB 3.41Å; V40-S45 PolarHBondContact O-N 3.02Å; V40-S45 PolarHBondContact O-OG 3.42Å |
| 41 | M | 91.8 | Very high | 97.1 | Very high | 55 Ų | 55 | 31.2 Ų | 31.2 | 27% | 0.271 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | -20.4 | -179.8 | -60.4 | -55.5 | 173.3 | 0 | 0 | 113.8 | V4 V6 P43 R44 V125 | V4-M41 HydrophobicContact CG1-CE 4.01Å; V6-M41 HydrophobicContact CG2-CE 4.11Å; M41-P43 CarbonylContact C-O 3.48Å; M41-P43 CarbonylContact O-C 3.52Å; M41-R44 WeakPolarHBondContact O-CA 3.42Å; M41-R44 PolarHBondContact O-N 2.92Å; M41-V125 HydrophobicContact CE-CB 4.31Å; M41-V125 HydrophobicContact CE-CG1 3.43Å; M41-V125 VanDerWaalsContact CE-CG1 3.43Å; M41-V125 HydrophobicContact CE-CG2 3.92Å; M41-V125 HydrophobicContact SD-CG1 4.46Å |
| 42 | H | 91.7 | Very high | 97.1 | Very high | 167 Ų | 167 | 31.2 Ų | 31.2 | 77% | 0.773 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -142 | 105.5 | 179.3 | -73.8 | 86.3 | 0 | 0 | 0 | 110.7 | ||
| 43 | P | 91.5 | Very high | 97.1 | Very high | 85 Ų | 85 | 31.2 Ų | 31.2 | 55% | 0.552 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -61.7 | 152.2 | -10.2 | 29 | -35 | 0 | 0 | 0 | 111.2 | V40 M41 S45 E70 | V40-P43 WeakPolarHBondContact CG1-O 3.42Å; M41-P43 CarbonylContact C-O 3.48Å; M41-P43 CarbonylContact O-C 3.52Å; P43-S45 PolarHBondContact O-N 2.89Å; P43-E70 WeakPolarHBondContact CA-OE1 3.41Å; P43-E70 HydrophobicContact CB-CG 4.01Å; P43-E70 WeakPolarHBondContact CB-OE1 3.38Å; P43-E70 WeakPolarHBondContact CB-OE2 3.28Å |
| 44 | R | 95.6 | Very high | 97 | Very high | 54 Ų | 54 | 33.8 Ų | 33.8 | 20% | 0.204 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 129.7 | -178.5 | -167.2 | 167 | -174.2 | 160.4 | 1.1 | 109.3 | N34 M41 L67 E70 D127 | N34-R44 PolarHBondContact ND2-NH2 2.91Å; M41-R44 WeakPolarHBondContact O-CA 3.42Å; M41-R44 PolarHBondContact O-N 2.92Å; R44-L67 HydrophobicContact CB-CD2 4.02Å; R44-L67 HydrophobicContact CG-CD2 3.99Å; R44-E70 PolarHBondContact N-OE1 3.09Å; R44-D127 IonicContact CZ-OD2 2.66Å; R44-D127 IonicContact NH1-OD2 3.3Å; R44-D127 PolarHBondContact NH1-OD2 3.08Å; R44-D127 IonicContact NH2-OD1 3.18Å; R44-D127 IonicContact NH2-OD2 3.45Å; R44-D127 PolarHBondContact NH2-OD2 3.09Å |
| 45 | S | 97.7 | Very high | 96.9 | Very high | 16 Ų | 16 | 34.6 Ų | 34.6 | 11% | 0.112 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.3 | 149.4 | 172.7 | -57.6 | 0 | 0 | 0 | 0 | 109.9 | N37 G38 T39 V40 P43 I47 | N37-S45 WeakPolarHBondContact O-CB 3.22Å; G38-S45 VanDerWaalsContact C-OG 3.29Å; T39-S45 PolarHBondContact N-OG 3.14Å; V40-S45 WeakPolarHBondContact CA-OG 3.4Å; V40-S45 WeakPolarHBondContact CB-OG 3.29Å; V40-S45 PolarHBondContact N-OG 3.42Å; V40-S45 WeakPolarHBondContact O-CB 3.41Å; V40-S45 PolarHBondContact O-N 3.02Å; V40-S45 PolarHBondContact O-OG 3.42Å; P43-S45 PolarHBondContact O-N 2.89Å; S45-I47 PolarHBondContact O-N 2.93Å |
| 46 | D | 98.5 | Very high | 96.4 | Very high | 41 Ų | 41 | 38.4 Ų | 38.4 | 22% | 0.219 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.3 | 135.6 | 178.4 | -72.9 | -13.4 | 0 | 0 | 0 | 110.6 | Q36 N37 L67 V68 N69 | Q36-D46 CarbonylContact C-O 3.54Å; Q36-D46 VanDerWaalsContact CA-O 3.3Å; Q36-D46 WeakPolarHBondContact CA-O 3.25Å; N37-D46 HydrophobicContact CB-CB 4.45Å; N37-D46 PolarHBondContact N-O 3.07Å; D46-L67 CarbonylContact C-O 3.53Å; D46-L67 VanDerWaalsContact CA-O 3.3Å; D46-L67 WeakPolarHBondContact CA-O 3.44Å; D46-V68 WeakPolarHBondContact OD1-CA 3.39Å; D46-N69 PolarHBondContact OD1-N 2.76Å |
| 47 | I | 98.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 111.1 | 176.2 | -51.4 | 173.9 | 0 | 0 | 0 | 107.3 | N34 Q36 S45 L49 H50 S66 L67 W72 | N34-I47 HydrophobicContact CB-CG2 3.91Å; Q36-I47 HydrophobicContact CG-CG1 4.11Å; S45-I47 PolarHBondContact O-N 2.93Å; I47-L49 WeakPolarHBondContact CG2-O 3.46Å; I47-H50 HydrophobicContact CG2-CB 3.84Å; I47-S66 CarbonylContact O-C 3.59Å; I47-S66 VanDerWaalsContact O-CA 3.22Å; I47-S66 WeakPolarHBondContact O-CA 3.48Å; I47-S66 WeakPolarHBondContact O-CB 3.02Å; I47-L67 HydrophobicContact CB-CB 3.77Å; I47-L67 HydrophobicContact CD1-CB 3.92Å; I47-L67 HydrophobicContact CD1-CD2 3.9Å; I47-L67 HydrophobicContact CG1-CB 3.83Å; I47-L67 HydrophobicContact CG1-CD2 4.01Å; I47-L67 PolarHBondContact N-O 2.87Å; I47-L67 PolarHBondContact O-N 2.94Å; I47-W72 HydrophobicContact CD1-CH2 3.75Å; I47-W72 HydrophobicContact CD1-CZ2 4.4Å; I47-W72 HydrophobicContact CD1-CZ3 4.37Å |
| 48 | V | 98.7 | Very high | 95 | Very high | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.006 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | -45.5 | 179 | 177 | 0 | 0 | 0 | 0 | 110.6 | L35 S66 Y100 L116 V121 | L35-V48 PolarHBondContact O-N 3.42Å; V48-S66 PolarHBondContact O-OG 2.74Å; V48-Y100 HydrophobicContact CG1-CE2 4.34Å; V48-Y100 WeakPolarHBondContact CG1-OH 3.23Å; V48-L116 HydrophobicContact CG1-CB 4.16Å; V48-L116 HydrophobicContact CG2-CB 4.28Å; V48-L116 HydrophobicContact CG2-CD1 4.08Å; V48-V121 HydrophobicContact CB-CG2 3.6Å; V48-V121 HydrophobicContact CG1-CG2 3.76Å; V48-V121 HydrophobicContact CG2-CG2 3.61Å |
| 49 | L | 98.9 | Very high | 94.7 | Very high | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 119 | 174 | 171.2 | 63.8 | 0 | 0 | 0 | 109.2 | N34 L35 I47 I51 I93 Y100 Y112 | N34-L49 CarbonylContact C-O 3.59Å; N34-L49 WeakPolarHBondContact CA-O 3.25Å; L35-L49 HydrophobicContact CB-CB 4.14Å; L35-L49 HydrophobicContact CD1-CB 4.22Å; L35-L49 HydrophobicContact CD1-CD2 4Å; L35-L49 HydrophobicContact CG-CB 4.22Å; L35-L49 HydrophobicContact CG-CD2 4.43Å; L35-L49 PolarHBondContact N-O 2.72Å; L35-L49 PolarHBondContact O-N 3.07Å; I47-L49 WeakPolarHBondContact CG2-O 3.46Å; L49-I51 HydrophobicContact CD1-CG1 4.01Å; L49-I51 HydrophobicContact CD2-CD1 4.08Å; L49-I51 HydrophobicContact CD2-CG1 4.28Å; L49-I51 HydrophobicContact CG-CD1 4.36Å; L49-I51 HydrophobicContact CG-CG1 4.01Å; L49-I93 HydrophobicContact CD2-CD1 4.45Å; L49-I93 HydrophobicContact CD2-CG2 4.16Å; L49-Y100 HydrophobicContact CB-CD2 4.35Å; L49-Y100 HydrophobicContact CB-CE2 4.09Å; L49-Y100 HydrophobicContact CD2-CD1 4.03Å; L49-Y100 HydrophobicContact CD2-CD2 3.87Å; L49-Y100 HydrophobicContact CD2-CE1 4.48Å; L49-Y100 HydrophobicContact CD2-CE2 4.32Å; L49-Y100 HydrophobicContact CD2-CG 3.69Å; L49-Y112 HydrophobicContact CD1-CD1 3.58Å; L49-Y112 HydrophobicContact CD1-CD2 4.25Å; L49-Y112 HydrophobicContact CD1-CE1 3.97Å; L49-Y112 HydrophobicContact CD1-CG 3.7Å |
| 50 | H | 98.9 | Very high | 94.6 | Very high | 9 Ų | 9 | 50.5 Ų | 50.5 | 4% | 0.042 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 128.1 | 169.5 | 176.4 | 72.2 | 0 | 0 | 0 | 108.3 | A32 N34 I47 S52 R64 N65 W72 | A32-H50 WeakPolarHBondContact CB-CE1 3.41Å; N34-H50 PolarHBondContact OD1-ND1 3.43Å; I47-H50 HydrophobicContact CG2-CB 3.84Å; H50-S52 WeakPolarHBondContact NE2-CB 2.97Å; H50-R64 WeakPolarHBondContact O-CA 3.31Å; H50-N65 WeakPolarHBondContact CB-O 3.49Å; H50-N65 PolarHBondContact N-O 3.38Å; H50-N65 PolarHBondContact O-N 3.04Å; H50-N65 VanDerWaalsContact O-N 3.08Å; H50-W72 HydrophobicContact CB-CH2 4.01Å; H50-W72 HydrophobicContact CB-CZ3 3.69Å; H50-W72 AromaticContact CD2-CH2 3.65Å; H50-W72 AromaticContact CD2-CZ3 3.67Å; H50-W72 AromaticContact CE1-CH2 3.75Å; H50-W72 AromaticContact CG-CH2 3.54Å; H50-W72 AromaticContact CG-CZ3 3.63Å; H50-W72 AromaticContact ND1-CH2 3.63Å; H50-W72 AromaticContact NE2-CH2 3.78Å |
| 51 | I | 98.9 | Very high | 94.7 | Very high | 3 Ų | 3 | 48.9 Ų | 48.9 | 2% | 0.015 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 114.4 | 170.1 | -54.3 | 172.2 | 0 | 0 | 0 | 107.1 | A32 I33 L49 V62 V63 R64 I93 I102 | A32-I51 CarbonylContact C-O 3.54Å; A32-I51 VanDerWaalsContact CA-O 3.25Å; A32-I51 WeakPolarHBondContact CA-O 3.41Å; I33-I51 HydrophobicContact CB-CB 4.45Å; I33-I51 PolarHBondContact N-O 3.42Å; I33-I51 PolarHBondContact O-N 3.09Å; L49-I51 HydrophobicContact CD1-CG1 4.01Å; L49-I51 HydrophobicContact CD2-CD1 4.08Å; L49-I51 HydrophobicContact CD2-CG1 4.28Å; L49-I51 HydrophobicContact CG-CD1 4.36Å; L49-I51 HydrophobicContact CG-CG1 4.01Å; I51-V62 HydrophobicContact CG2-CG1 3.66Å; I51-V63 CarbonylContact C-O 3.6Å; I51-V63 WeakPolarHBondContact CA-O 3.46Å; I51-R64 HydrophobicContact CG1-CG 4.33Å; I51-I93 HydrophobicContact CD1-CD1 3.75Å; I51-I93 HydrophobicContact CD1-CG1 4.23Å; I51-I102 HydrophobicContact CD1-CD1 3.67Å; I51-I102 HydrophobicContact CD1-CG1 4.08Å; I51-I102 HydrophobicContact CD1-CG2 4.25Å; I51-I102 HydrophobicContact CG1-CD1 4.18Å |
| 52 | S | 98.5 | Very high | 95.1 | Very high | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.014 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 102 | -177 | 179.7 | 0 | 0 | 0 | 0 | 112.9 | F31 H50 V62 V63 | F31-S52 VanDerWaalsContact O-CA 3.23Å; F31-S52 WeakPolarHBondContact O-CA 3.02Å; F31-S52 WeakPolarHBondContact O-CB 3.13Å; F31-S52 PolarHBondContact O-OG 3.23Å; H50-S52 WeakPolarHBondContact NE2-CB 2.97Å; S52-V62 WeakPolarHBondContact O-CA 3.21Å; S52-V63 PolarHBondContact N-O 3.23Å; S52-V63 PolarHBondContact O-N 3.36Å |
| 53 | P | 98.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 126.8 | 164.6 | -23.8 | 39.5 | 0 | 0 | 0 | 110.6 | W30 F31 F55 V62 F81 F83 | W30-P53 VanDerWaalsContact CA-O 3.26Å; W30-P53 WeakPolarHBondContact CA-O 3.2Å; W30-P53 WeakPolarHBondContact CB-O 3.41Å; F31-P53 HydrophobicContact CD1-CB 4.27Å; F31-P53 HydrophobicContact CD1-CG 4.37Å; F31-P53 HydrophobicContact CE1-CB 3.76Å; F31-P53 HydrophobicContact CE1-CG 3.7Å; F31-P53 HydrophobicContact CE2-CG 3.92Å; F31-P53 HydrophobicContact CZ-CB 4.08Å; F31-P53 HydrophobicContact CZ-CG 3.47Å; F31-P53 VanDerWaalsContact CZ-CG 3.47Å; F31-P53 PolarHBondContact N-O 2.97Å; F31-P53 WeakPolarHBondContact O-CD 3.3Å; P53-F55 HydrophobicContact CB-CE2 4.27Å; P53-V62 HydrophobicContact CB-CG2 4.41Å; P53-V62 HydrophobicContact CG-CG1 4.25Å; P53-V62 HydrophobicContact CG-CG2 4.32Å; P53-F81 HydrophobicContact CB-CE2 4.27Å; P53-F81 HydrophobicContact CB-CZ 4.35Å; P53-F83 HydrophobicContact CB-CD2 3.62Å; P53-F83 HydrophobicContact CB-CE2 3.98Å; P53-F83 HydrophobicContact CB-CG 4.11Å; P53-F83 HydrophobicContact CG-CD1 4.47Å; P53-F83 HydrophobicContact CG-CD2 3.43Å; P53-F83 VanDerWaalsContact CG-CD2 3.43Å; P53-F83 HydrophobicContact CG-CE1 4.31Å; P53-F83 HydrophobicContact CG-CE2 3.24Å; P53-F83 HydrophobicContact CG-CG 4.06Å; P53-F83 HydrophobicContact CG-CZ 3.72Å |
| 54 | R | 97.9 | Very high | 95.7 | Very high | 55 Ų | 55 | 34.9 Ų | 34.9 | 21% | 0.208 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 126 | 179.5 | -58.7 | -176.4 | -175.8 | 166.2 | 6.3 | 110.2 | W30 D56 F60 R61 E75 | W30-R54 HydrophobicContact CB-CG 4.17Å; R54-D56 PolarHBondContact O-N 2.97Å; R54-F60 WeakPolarHBondContact O-CA 3.38Å; R54-R61 PolarHBondContact N-O 3.13Å; R54-R61 PolarHBondContact O-N 2.98Å; R54-E75 IonicContact CZ-OE1 2.69Å; R54-E75 IonicContact NH1-OE1 2.96Å; R54-E75 PolarHBondContact NH1-OE1 3.29Å; R54-E75 IonicContact NH2-OE1 2.76Å; R54-E75 PolarHBondContact NH2-OE1 2.92Å |
| 55 | F | 96.4 | Very high | 95.9 | Very high | 18 Ų | 18 | 32.3 Ų | 32.3 | 8% | 0.079 | 19% | 0.185 | C | C | . | . | trans | -100 | 57.5 | -176.5 | -60.1 | -94.2 | 0 | 0 | 0 | 110.5 | V24 A28 R29 F31 P53 G57 F60 F81 F83 L85 | V24-F55 HydrophobicContact CB-CZ 4.42Å; V24-F55 HydrophobicContact CG1-CE1 4.11Å; V24-F55 HydrophobicContact CG1-CE2 3.76Å; V24-F55 HydrophobicContact CG1-CZ 3.44Å; V24-F55 VanDerWaalsContact CG1-CZ 3.44Å; V24-F55 HydrophobicContact CG2-CZ 4.22Å; A28-F55 HydrophobicContact CB-CD2 4.43Å; A28-F55 WeakPolarHBondContact O-CB 3.34Å; R29-F55 PolarHBondContact O-N 3.05Å; F31-F55 HydrophobicContact CD1-CE2 4.3Å; F31-F55 HydrophobicContact CE1-CE2 4.3Å; P53-F55 HydrophobicContact CB-CE2 4.27Å; F55-G57 PolarHBondContact O-N 3.49Å; F55-F60 VanDerWaalsContact C-CE1 3.49Å; F55-F60 HydrophobicContact CB-CD1 4.4Å; F55-F60 HydrophobicContact CB-CE1 4.11Å; F55-F81 AromaticContact CD1-CE1 3.84Å; F55-F81 HydrophobicContact CD1-CE1 3.84Å; F55-F81 AromaticContact CD1-CZ 3.76Å; F55-F81 HydrophobicContact CD1-CZ 3.76Å; F55-F81 AromaticContact CE1-CE1 3.47Å; F55-F81 HydrophobicContact CE1-CE1 3.47Å; F55-F81 VanDerWaalsContact CE1-CE1 3.47Å; F55-F81 AromaticContact CE1-CZ 3.52Å; F55-F81 HydrophobicContact CE1-CZ 3.52Å; F55-F81 HydrophobicContact CE2-CZ 4.3Å; F55-F81 HydrophobicContact CG-CZ 4.26Å; F55-F81 HydrophobicContact CZ-CE1 4.09Å; F55-F81 AromaticContact CZ-CZ 3.79Å; F55-F81 HydrophobicContact CZ-CZ 3.79Å; F55-F83 HydrophobicContact CE1-CB 4.28Å; F55-F83 HydrophobicContact CZ-CB 3.84Å; F55-L85 HydrophobicContact CB-CD2 4.43Å; F55-L85 HydrophobicContact CD1-CD1 4.41Å; F55-L85 HydrophobicContact CD1-CD2 3.55Å; F55-L85 HydrophobicContact CD1-CG 3.78Å; F55-L85 HydrophobicContact CD2-CD2 4.38Å; F55-L85 HydrophobicContact CE1-CD2 3.81Å; F55-L85 HydrophobicContact CE1-CG 4.01Å; F55-L85 HydrophobicContact CG-CD2 3.87Å; F55-L85 HydrophobicContact CZ-CD2 4.36Å | ||
| 56 | D | 88.7 | Confident | 95.9 | Very high | 81 Ų | 81 | 31.8 Ų | 31.8 | 43% | 0.433 | 18% | 0.181 | S | C | . | . | trans | -80.6 | 42.3 | -170.9 | -64.7 | -26.2 | 0 | 0 | 0 | 114.4 | R54 A58 F59 R61 | R54-D56 PolarHBondContact O-N 2.97Å; D56-A58 VanDerWaalsContact C-N 3.25Å; D56-A58 PolarHBondContact O-N 2.71Å; D56-F59 PolarHBondContact O-N 2.93Å; D56-R61 IonicContact OD2-CZ 3.66Å; D56-R61 IonicContact OD2-NH1 2.93Å; D56-R61 PolarHBondContact OD2-NH1 2.99Å; D56-R61 IonicContact OD2-NH2 3.91Å; D56-R61 PolarHBondContact OD2-NH2 2.62Å | ||
| 57 | G | 82 | Confident | 95.9 | Very high | 67 Ų | 67 | 30 Ų | 30 | 69% | 0.691 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.6 | -66 | 176.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | F55 | F55-G57 PolarHBondContact O-N 3.49Š|
| 58 | A | 84.4 | Confident | 95.9 | Very high | 104 Ų | 104 | 32.6 Ų | 32.6 | 86% | 0.86 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.7 | -21.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | D56 | D56-A58 VanDerWaalsContact C-N 3.25Å; D56-A58 PolarHBondContact O-N 2.71Å |
| 59 | F | 90.1 | Very high | 95.8 | Very high | 130 Ų | 130 | 38.6 Ų | 38.6 | 57% | 0.57 | 22% | 0.219 | S | C | * | . | trans | -138.9 | 74.6 | -174.4 | -165.4 | -115.9 | 0 | 0 | 0 | 112.7 | D56 R61 | D56-F59 PolarHBondContact O-N 2.93Å; F59-R61 HydrophobicContact CE1-CB 4.34Å; F59-R61 HydrophobicContact CE1-CG 4.49Å; F59-R61 PolarHBondContact O-N 3.04Å; F59-R61 PolarHBondContact O-NH1 3.16Å | ||
| 60 | F | 95.6 | Very high | 95.8 | Very high | 90 Ų | 90 | 43.7 Ų | 43.7 | 40% | 0.395 | 24% | 0.243 | S | C | . | . | trans | -66.4 | 129.6 | 172.7 | -63.2 | -9.4 | 0 | 0 | 0 | 110.2 | R54 F55 F81 | R54-F60 WeakPolarHBondContact O-CA 3.38Å; F55-F60 VanDerWaalsContact C-CE1 3.49Å; F55-F60 HydrophobicContact CB-CD1 4.4Å; F55-F60 HydrophobicContact CB-CE1 4.11Å; F60-F81 HydrophobicContact CB-CB 4.36Å; F60-F81 HydrophobicContact CB-CD1 3.86Å; F60-F81 HydrophobicContact CB-CD2 3.71Å; F60-F81 HydrophobicContact CB-CE1 3.97Å; F60-F81 HydrophobicContact CB-CE2 3.85Å; F60-F81 HydrophobicContact CB-CG 3.71Å; F60-F81 HydrophobicContact CB-CZ 3.97Å; F60-F81 AromaticContact CD2-CD1 3.99Å; F60-F81 HydrophobicContact CD2-CD1 3.99Å; F60-F81 AromaticContact CD2-CE1 3.93Å; F60-F81 HydrophobicContact CD2-CE1 3.93Å; F60-F81 HydrophobicContact CG-CD1 4.33Å; F60-F81 HydrophobicContact CG-CE1 4.17Å; F60-F81 HydrophobicContact CG-CZ 4.35Å | ||
| 61 | R | 97.1 | Very high | 95.7 | Very high | 48 Ų | 48 | 52.7 Ų | 52.7 | 18% | 0.181 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 154.3 | 178.6 | 70.7 | -170.7 | 178.1 | -71.2 | -0.2 | 111.2 | R54 D56 F59 V63 F81 | R54-R61 PolarHBondContact N-O 3.13Å; R54-R61 PolarHBondContact O-N 2.98Å; D56-R61 IonicContact OD2-CZ 3.66Å; D56-R61 IonicContact OD2-NH1 2.93Å; D56-R61 PolarHBondContact OD2-NH1 2.99Å; D56-R61 IonicContact OD2-NH2 3.91Å; D56-R61 PolarHBondContact OD2-NH2 2.62Å; F59-R61 HydrophobicContact CE1-CB 4.34Å; F59-R61 HydrophobicContact CE1-CG 4.49Å; F59-R61 PolarHBondContact O-N 3.04Å; F59-R61 PolarHBondContact O-NH1 3.16Å; R61-V63 HydrophobicContact CG-CG2 4.09Å; R61-F81 WeakPolarHBondContact O-CE2 3.42Å |
| 62 | V | 98.4 | Very high | 95.7 | Very high | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.006 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 119 | 166.3 | -172.8 | 0 | 0 | 0 | 0 | 107.8 | I51 S52 P53 F81 F83 Y109 | I51-V62 HydrophobicContact CG2-CG1 3.66Å; S52-V62 WeakPolarHBondContact O-CA 3.21Å; P53-V62 HydrophobicContact CB-CG2 4.41Å; P53-V62 HydrophobicContact CG-CG1 4.25Å; P53-V62 HydrophobicContact CG-CG2 4.32Å; V62-F81 HydrophobicContact CG2-CD2 4Å; V62-F81 HydrophobicContact CG2-CE2 4.19Å; V62-F83 HydrophobicContact CG2-CD2 4Å; V62-F83 HydrophobicContact CG2-CE2 3.88Å; V62-Y109 HydrophobicContact CB-CE1 4.12Å; V62-Y109 VanDerWaalsContact CB-OH 3.25Å; V62-Y109 WeakPolarHBondContact CB-OH 3.17Å; V62-Y109 HydrophobicContact CG1-CE1 4.12Å; V62-Y109 HydrophobicContact CG2-CE1 4.35Å; V62-Y109 WeakPolarHBondContact CG2-OH 3.43Å |
| 63 | V | 98.5 | Very high | 95.7 | Very high | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.006 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 126 | 175.5 | 178.1 | 0 | 0 | 0 | 0 | 108.8 | I51 S52 R61 N65 E75 T77 | I51-V63 CarbonylContact C-O 3.6Å; I51-V63 WeakPolarHBondContact CA-O 3.46Å; S52-V63 PolarHBondContact N-O 3.23Å; S52-V63 PolarHBondContact O-N 3.36Å; R61-V63 HydrophobicContact CG-CG2 4.09Å; V63-N65 HydrophobicContact CG1-CB 4.45Å; V63-E75 HydrophobicContact CG1-CB 4.08Å; V63-E75 HydrophobicContact CG1-CG 3.75Å; V63-T77 HydrophobicContact CG2-CG2 4.11Å |
| 64 | R | 98.8 | Very high | 95.7 | Very high | 10 Ų | 10 | 66.5 Ų | 66.5 | 4% | 0.038 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 132.2 | 163.5 | -60.4 | 138 | -61.1 | -162 | -1.5 | 110.5 | H50 I51 E76 A78 I102 Y112 | H50-R64 WeakPolarHBondContact O-CA 3.31Å; I51-R64 HydrophobicContact CG1-CG 4.33Å; R64-E76 HydrophobicContact CB-CB 4.28Å; R64-E76 PolarHBondContact N-O 3.01Å; R64-E76 PolarHBondContact NE-O 2.85Å; R64-E76 VanDerWaalsContact NE-O 3.09Å; R64-E76 PolarHBondContact NH2-O 2.82Å; R64-E76 PolarHBondContact O-N 2.69Å; R64-A78 VanDerWaalsContact CZ-O 3.3Å; R64-A78 PolarHBondContact NH1-O 3.02Å; R64-A78 VanDerWaalsContact NH2-N 3.13Å; R64-A78 PolarHBondContact NH2-O 2.92Å; R64-I102 HydrophobicContact CG-CD1 4.38Å; R64-Y112 HydrophobicContact CB-CD2 3.65Å; R64-Y112 HydrophobicContact CB-CE2 3.8Å |
| 65 | N | 98.8 | Very high | 95.8 | Very high | 1 Ų | 1 | 68.4 Ų | 68.4 | 1% | 0.005 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 178.1 | -178.8 | -151.6 | -13.9 | 0 | 0 | 0 | 111.9 | H50 V63 W72 G73 N74 Y112 R115 | H50-N65 WeakPolarHBondContact CB-O 3.49Å; H50-N65 PolarHBondContact N-O 3.38Å; H50-N65 PolarHBondContact O-N 3.04Å; H50-N65 VanDerWaalsContact O-N 3.08Å; V63-N65 HydrophobicContact CG1-CB 4.45Å; N65-W72 HydrophobicContact CB-CE3 3.96Å; N65-W72 HydrophobicContact CB-CZ3 4.14Å; N65-G73 PolarHBondContact ND2-O 2.86Å; N65-G73 WeakPolarHBondContact OD1-CA 3.5Å; N65-G73 PolarHBondContact OD1-N 3.28Å; N65-G73 PolarHBondContact OD1-O 2.96Å; N65-N74 PolarHBondContact OD1-O 2.99Å; N65-N74 VanDerWaalsContact OD1-O 3.07Å; N65-Y112 WeakPolarHBondContact CA-OH 3.36Å; N65-Y112 PolarHBondContact O-OH 2.99Å; N65-R115 PolarHBondContact OD1-NH1 2.72Å |
| 66 | S | 98.8 | Very high | 95.9 | Very high | 4 Ų | 4 | 70.4 Ų | 70.4 | 3% | 0.028 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 148.3 | 167.4 | -53.8 | 0 | 0 | 0 | 0 | 109.5 | I47 V48 G73 Y112 | I47-S66 CarbonylContact O-C 3.59Å; I47-S66 VanDerWaalsContact O-CA 3.22Å; I47-S66 WeakPolarHBondContact O-CA 3.48Å; I47-S66 WeakPolarHBondContact O-CB 3.02Å; V48-S66 PolarHBondContact O-OG 2.74Å; S66-G73 PolarHBondContact O-N 3.43Å; S66-Y112 PolarHBondContact N-OH 3.09Å; S66-Y112 PolarHBondContact OG-OH 3.46Å; S66-Y112 VanDerWaalsContact OG-OH 3.04Å |
| 67 | L | 98.7 | Very high | 96.3 | Very high | 5 Ų | 5 | 69.4 Ų | 69.4 | 3% | 0.026 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 121.7 | 173.4 | -174.9 | 83.2 | 0 | 0 | 0 | 108.1 | R44 D46 I47 R71 W72 | R44-L67 HydrophobicContact CB-CD2 4.02Å; R44-L67 HydrophobicContact CG-CD2 3.99Å; D46-L67 CarbonylContact C-O 3.53Å; D46-L67 VanDerWaalsContact CA-O 3.3Å; D46-L67 WeakPolarHBondContact CA-O 3.44Å; I47-L67 HydrophobicContact CB-CB 3.77Å; I47-L67 HydrophobicContact CD1-CB 3.92Å; I47-L67 HydrophobicContact CD1-CD2 3.9Å; I47-L67 HydrophobicContact CG1-CB 3.83Å; I47-L67 HydrophobicContact CG1-CD2 4.01Å; I47-L67 PolarHBondContact N-O 2.87Å; I47-L67 PolarHBondContact O-N 2.94Å; L67-R71 WeakPolarHBondContact CA-O 3.45Å; L67-W72 HydrophobicContact CB-CD2 4.4Å; L67-W72 HydrophobicContact CB-CE3 4.04Å; L67-W72 HydrophobicContact CB-CH2 4.34Å; L67-W72 HydrophobicContact CB-CZ3 4Å; L67-W72 HydrophobicContact CD1-CD2 3.59Å; L67-W72 HydrophobicContact CD1-CE3 4.1Å; L67-W72 HydrophobicContact CD1-CG 3.79Å; L67-W72 HydrophobicContact CD1-CZ2 4.15Å |
| 68 | V | 98.2 | Very high | 96.9 | Very high | 53 Ų | 53 | 69.9 Ų | 69.9 | 32% | 0.321 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 124.9 | 178.2 | -178.3 | 0 | 0 | 0 | 0 | 109.2 | D46 E70 R71 L116 | D46-V68 WeakPolarHBondContact OD1-CA 3.39Å; V68-E70 VanDerWaalsContact C-N 3.26Å; V68-E70 PolarHBondContact O-N 2.92Å; V68-R71 PolarHBondContact N-O 2.93Å; V68-R71 WeakPolarHBondContact O-CB 3.45Å; V68-R71 PolarHBondContact O-N 2.81Å; V68-L116 HydrophobicContact CG2-CD1 3.67Å; V68-L116 HydrophobicContact CG2-CD2 4.01Å; V68-L116 HydrophobicContact CG2-CG 4.17Å |
| 69 | N | 96.9 | Very high | 97.3 | Very high | 127 Ų | 127 | 67.8 Ų | 67.8 | 68% | 0.679 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50 | 47.5 | -174.9 | -62 | -57.3 | 0 | 0 | 0 | 112.1 | D46 R71 | D46-N69 PolarHBondContact OD1-N 2.76Å; N69-R71 PolarHBondContact O-N 3.14Å; N69-R71 VanDerWaalsContact O-N 3.09Å |
| 70 | E | 97 | Very high | 97.6 | Very high | 109 Ų | 109 | 66 Ų | 66 | 51% | 0.509 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | 17.6 | -177.4 | -53.7 | -167.2 | 111.9 | 0 | 0 | 115.3 | P43 R44 V68 | P43-E70 WeakPolarHBondContact CA-OE1 3.41Å; P43-E70 HydrophobicContact CB-CG 4.01Å; P43-E70 WeakPolarHBondContact CB-OE1 3.38Å; P43-E70 WeakPolarHBondContact CB-OE2 3.28Å; R44-E70 PolarHBondContact N-OE1 3.09Å; V68-E70 VanDerWaalsContact C-N 3.26Å; V68-E70 PolarHBondContact O-N 2.92Å |
| 71 | R | 98.4 | Very high | 97.6 | Very high | 198 Ų | 198 | 63.9 Ų | 63.9 | 75% | 0.747 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 124.5 | 175.7 | -62.6 | 179.3 | -176.2 | -161.7 | -0.3 | 110.5 | L67 V68 N69 | L67-R71 WeakPolarHBondContact CA-O 3.45Å; V68-R71 PolarHBondContact N-O 2.93Å; V68-R71 WeakPolarHBondContact O-CB 3.45Å; V68-R71 PolarHBondContact O-N 2.81Å; N69-R71 PolarHBondContact O-N 3.14Å; N69-R71 VanDerWaalsContact O-N 3.09Å |
| 72 | W | 98.7 | Very high | 97.6 | Very high | 122 Ų | 122 | 62.7 Ų | 62.7 | 46% | 0.462 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 138.9 | 172.7 | -70.8 | 107.1 | 0 | 0 | 0 | 110.5 | I47 H50 N65 L67 | I47-W72 HydrophobicContact CD1-CH2 3.75Å; I47-W72 HydrophobicContact CD1-CZ2 4.4Å; I47-W72 HydrophobicContact CD1-CZ3 4.37Å; H50-W72 HydrophobicContact CB-CH2 4.01Å; H50-W72 HydrophobicContact CB-CZ3 3.69Å; H50-W72 AromaticContact CD2-CH2 3.65Å; H50-W72 AromaticContact CD2-CZ3 3.67Å; H50-W72 AromaticContact CE1-CH2 3.75Å; H50-W72 AromaticContact CG-CH2 3.54Å; H50-W72 AromaticContact CG-CZ3 3.63Å; H50-W72 AromaticContact ND1-CH2 3.63Å; H50-W72 AromaticContact NE2-CH2 3.78Å; N65-W72 HydrophobicContact CB-CE3 3.96Å; N65-W72 HydrophobicContact CB-CZ3 4.14Å; L67-W72 HydrophobicContact CB-CD2 4.4Å; L67-W72 HydrophobicContact CB-CE3 4.04Å; L67-W72 HydrophobicContact CB-CH2 4.34Å; L67-W72 HydrophobicContact CB-CZ3 4Å; L67-W72 HydrophobicContact CD1-CD2 3.59Å; L67-W72 HydrophobicContact CD1-CE3 4.1Å; L67-W72 HydrophobicContact CD1-CG 3.79Å; L67-W72 HydrophobicContact CD1-CZ2 4.15Å |
| 73 | G | 98.6 | Very high | 97.6 | Very high | 36 Ų | 36 | 63 Ų | 63 | 37% | 0.371 | 34% | 0.337 | S | S | . | . | trans | -79.6 | -161.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | N65 S66 | N65-G73 PolarHBondContact ND2-O 2.86Å; N65-G73 WeakPolarHBondContact OD1-CA 3.5Å; N65-G73 PolarHBondContact OD1-N 3.28Å; N65-G73 PolarHBondContact OD1-O 2.96Å; S66-G73 PolarHBondContact O-N 3.43Å | ||
| 74 | N | 98.4 | Very high | 97.6 | Very high | 137 Ų | 137 | 68.6 Ų | 68.6 | 73% | 0.733 | 36% | 0.361 | S | S | * | . | trans | -72.8 | 129.9 | 176.1 | -63.8 | -4.6 | 0 | 0 | 0 | 110.7 | N65 R115 | N65-N74 PolarHBondContact OD1-O 2.99Å; N65-N74 VanDerWaalsContact OD1-O 3.07Å; N74-R115 VanDerWaalsContact O-CZ 3.25Å; N74-R115 PolarHBondContact O-NH1 2.84Å; N74-R115 PolarHBondContact O-NH2 3.46Å | ||
| 75 | E | 98.5 | Very high | 97.5 | Very high | 94 Ų | 94 | 71.5 Ų | 71.5 | 44% | 0.439 | 38% | 0.377 | S | S | . | . | trans | -70.9 | 138.7 | 177 | -66.2 | -168.4 | 156.8 | 0 | 0 | 111.7 | R54 V63 T77 | R54-E75 IonicContact CZ-OE1 2.69Å; R54-E75 IonicContact NH1-OE1 2.96Å; R54-E75 PolarHBondContact NH1-OE1 3.29Å; R54-E75 IonicContact NH2-OE1 2.76Å; R54-E75 PolarHBondContact NH2-OE1 2.92Å; V63-E75 HydrophobicContact CG1-CB 4.08Å; V63-E75 HydrophobicContact CG1-CG 3.75Å; E75-T77 HydrophobicContact CB-CG2 4.14Å | ||
| 76 | E | 98.6 | Very high | 97.5 | Very high | 61 Ų | 61 | 73 Ų | 73 | 29% | 0.285 | 39% | 0.392 | S | S | . | . | B | Isolated β-bridge | trans | -108.8 | 111.9 | 166.8 | -72 | 172.4 | -141.8 | 0 | 0 | 109.2 | R64 Y112 R115 | R64-E76 HydrophobicContact CB-CB 4.28Å; R64-E76 PolarHBondContact N-O 3.01Å; R64-E76 PolarHBondContact NE-O 2.85Å; R64-E76 VanDerWaalsContact NE-O 3.09Å; R64-E76 PolarHBondContact NH2-O 2.82Å; R64-E76 PolarHBondContact O-N 2.69Å; E76-Y112 HydrophobicContact CG-CE2 4.41Å; E76-Y112 WeakPolarHBondContact OE1-CE2 3.3Å; E76-Y112 VanDerWaalsContact OE2-CD2 3.3Å; E76-Y112 WeakPolarHBondContact OE2-CD2 3.08Å; E76-R115 IonicContact OE1-CZ 3.48Å; E76-R115 IonicContact OE1-NE 3.69Å; E76-R115 IonicContact OE1-NH2 3.46Å; E76-R115 PolarHBondContact OE1-NH2 2.86Å |
| 77 | T | 97.7 | Very high | 97.4 | Very high | 59 Ų | 59 | 77.2 Ų | 77.2 | 36% | 0.362 | 41% | 0.412 | S | S | . | . | trans | -121 | -1 | -171.9 | 57.7 | 0 | 0 | 0 | 0 | 114.5 | V63 E75 | V63-T77 HydrophobicContact CG2-CG2 4.11Å; E75-T77 HydrophobicContact CB-CG2 4.14Å | ||
| 78 | A | 95.3 | Very high | 97.4 | Very high | 78 Ų | 78 | 82.5 Ų | 82.5 | 65% | 0.645 | 44% | 0.436 | S | S | * | . | trans | -66 | 144.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113 | R64 | R64-A78 VanDerWaalsContact CZ-O 3.3Å; R64-A78 PolarHBondContact NH1-O 3.02Å; R64-A78 VanDerWaalsContact NH2-N 3.13Å; R64-A78 PolarHBondContact NH2-O 2.92Å | ||
| 79 | G | 93.1 | Very high | 97.4 | Very high | 59 Ų | 59 | 80.5 Ų | 80.5 | 61% | 0.608 | 42% | 0.423 | S | S | * | . | S | Bend | trans | 122.6 | 170.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 80 | H | 94.8 | Very high | 97.5 | Very high | 92 Ų | 92 | 75.4 Ų | 75.4 | 43% | 0.426 | 40% | 0.396 | S | S | . | . | trans | -75.1 | 179.6 | 174.1 | 65.2 | -94.2 | 0 | 0 | 0 | 111 | P82 Y109 | H80-P82 WeakPolarHBondContact O-CD 3.37Å; H80-Y109 AromaticContact CE1-CD2 3.85Å; H80-Y109 AromaticContact NE2-CD2 3.82Å; H80-Y109 WeakPolarHBondContact O-CE2 3.3Å; H80-Y109 PolarHBondContact O-OH 3.06Å | ||
| 81 | F | 97 | Very high | 97.6 | Very high | 47 Ų | 47 | 70.2 Ų | 70.2 | 21% | 0.206 | 37% | 0.371 | C | S | . | . | trans | -109.7 | 102.7 | 174.9 | -167.5 | -99.3 | 0 | 0 | 0 | 110.2 | P53 F55 F60 R61 V62 F83 | P53-F81 HydrophobicContact CB-CE2 4.27Å; P53-F81 HydrophobicContact CB-CZ 4.35Å; F55-F81 AromaticContact CD1-CE1 3.84Å; F55-F81 HydrophobicContact CD1-CE1 3.84Å; F55-F81 AromaticContact CD1-CZ 3.76Å; F55-F81 HydrophobicContact CD1-CZ 3.76Å; F55-F81 AromaticContact CE1-CE1 3.47Å; F55-F81 HydrophobicContact CE1-CE1 3.47Å; F55-F81 VanDerWaalsContact CE1-CE1 3.47Å; F55-F81 AromaticContact CE1-CZ 3.52Å; F55-F81 HydrophobicContact CE1-CZ 3.52Å; F55-F81 HydrophobicContact CE2-CZ 4.3Å; F55-F81 HydrophobicContact CG-CZ 4.26Å; F55-F81 HydrophobicContact CZ-CE1 4.09Å; F55-F81 AromaticContact CZ-CZ 3.79Å; F55-F81 HydrophobicContact CZ-CZ 3.79Å; F60-F81 HydrophobicContact CB-CB 4.36Å; F60-F81 HydrophobicContact CB-CD1 3.86Å; F60-F81 HydrophobicContact CB-CD2 3.71Å; F60-F81 HydrophobicContact CB-CE1 3.97Å; F60-F81 HydrophobicContact CB-CE2 3.85Å; F60-F81 HydrophobicContact CB-CG 3.71Å; F60-F81 HydrophobicContact CB-CZ 3.97Å; F60-F81 AromaticContact CD2-CD1 3.99Å; F60-F81 HydrophobicContact CD2-CD1 3.99Å; F60-F81 AromaticContact CD2-CE1 3.93Å; F60-F81 HydrophobicContact CD2-CE1 3.93Å; F60-F81 HydrophobicContact CG-CD1 4.33Å; F60-F81 HydrophobicContact CG-CE1 4.17Å; F60-F81 HydrophobicContact CG-CZ 4.35Å; R61-F81 WeakPolarHBondContact O-CE2 3.42Å; V62-F81 HydrophobicContact CG2-CD2 4Å; V62-F81 HydrophobicContact CG2-CE2 4.19Å; F81-F83 WeakPolarHBondContact CD1-O 3.34Å; F81-F83 HydrophobicContact CE1-CB 3.97Å; F81-F83 WeakPolarHBondContact CE1-O 3.46Å; F81-F83 HydrophobicContact CZ-CB 4.18Å | ||
| 82 | P | 97.4 | Very high | 97.6 | Very high | 23 Ų | 23 | 61.3 Ų | 61.3 | 15% | 0.149 | 34% | 0.338 | C | S | . | . | trans | -88.9 | -1.1 | -170.7 | 33.3 | -35.3 | 0 | 0 | 0 | 114.5 | H80 V104 Y109 | H80-P82 WeakPolarHBondContact O-CD 3.37Å; P82-V104 HydrophobicContact CB-CB 3.95Å; P82-V104 HydrophobicContact CB-CG1 3.78Å; P82-V104 HydrophobicContact CB-CG2 4.47Å; P82-V104 HydrophobicContact CG-CB 3.94Å; P82-V104 HydrophobicContact CG-CG1 3.9Å; P82-V104 HydrophobicContact CG-CG2 3.91Å; P82-Y109 HydrophobicContact CB-CD2 4.48Å; P82-Y109 HydrophobicContact CG-CD2 3.77Å; P82-Y109 HydrophobicContact CG-CE2 3.75Å; P82-Y109 HydrophobicContact CG-CG 4.47Å | ||
| 83 | F | 98.1 | Very high | 97.6 | Very high | 6 Ų | 6 | 55.5 Ų | 55.5 | 3% | 0.026 | 32% | 0.316 | C | S | . | . | trans | -101.8 | 148.7 | -177.5 | -58.4 | -83.1 | 0 | 0 | 0 | 110.9 | V24 F31 P53 F55 V62 F81 F89 V91 V104 | V24-F83 HydrophobicContact CG2-CB 4.46Å; V24-F83 HydrophobicContact CG2-CD1 4.46Å; F31-F83 HydrophobicContact CE1-CD1 4.21Å; F31-F83 HydrophobicContact CE1-CG 4.5Å; F31-F83 AromaticContact CZ-CD1 3.81Å; F31-F83 HydrophobicContact CZ-CD1 3.81Å; F31-F83 AromaticContact CZ-CE1 3.7Å; F31-F83 HydrophobicContact CZ-CE1 3.7Å; F31-F83 HydrophobicContact CZ-CG 4.39Å; F31-F83 HydrophobicContact CZ-CZ 4.18Å; P53-F83 HydrophobicContact CB-CD2 3.62Å; P53-F83 HydrophobicContact CB-CE2 3.98Å; P53-F83 HydrophobicContact CB-CG 4.11Å; P53-F83 HydrophobicContact CG-CD1 4.47Å; P53-F83 HydrophobicContact CG-CD2 3.43Å; P53-F83 VanDerWaalsContact CG-CD2 3.43Å; P53-F83 HydrophobicContact CG-CE1 4.31Å; P53-F83 HydrophobicContact CG-CE2 3.24Å; P53-F83 HydrophobicContact CG-CG 4.06Å; P53-F83 HydrophobicContact CG-CZ 3.72Å; F55-F83 HydrophobicContact CE1-CB 4.28Å; F55-F83 HydrophobicContact CZ-CB 3.84Å; V62-F83 HydrophobicContact CG2-CD2 4Å; V62-F83 HydrophobicContact CG2-CE2 3.88Å; F81-F83 WeakPolarHBondContact CD1-O 3.34Å; F81-F83 HydrophobicContact CE1-CB 3.97Å; F81-F83 WeakPolarHBondContact CE1-O 3.46Å; F81-F83 HydrophobicContact CZ-CB 4.18Å; F83-F89 HydrophobicContact CD1-CB 4.02Å; F83-F89 HydrophobicContact CD1-CD1 4.36Å; F83-F89 HydrophobicContact CD1-CD2 4.46Å; F83-F89 HydrophobicContact CD1-CG 4.02Å; F83-F89 HydrophobicContact CE1-CB 4.08Å; F83-F89 AromaticContact CE1-CD2 3.88Å; F83-F89 HydrophobicContact CE1-CD2 3.88Å; F83-F89 HydrophobicContact CE1-CE2 4.47Å; F83-F89 AromaticContact CE1-CG 3.9Å; F83-F89 HydrophobicContact CE1-CG 3.9Å; F83-V91 HydrophobicContact CE1-CG2 3.96Å; F83-V91 HydrophobicContact CZ-CG2 3.89Å; F83-V104 HydrophobicContact CE1-CG1 3.91Å; F83-V104 HydrophobicContact CE2-CG2 4.42Å; F83-V104 HydrophobicContact CZ-CG1 3.91Å; F83-V104 HydrophobicContact CZ-CG2 3.99Å | ||
| 84 | K | 97.1 | Very high | 97.6 | Very high | 120 Ų | 120 | 54.3 Ų | 54.3 | 52% | 0.522 | 30% | 0.301 | S | S | . | . | trans | -137.3 | 142.9 | 176 | -64.7 | 171.3 | -173.8 | 167.7 | 0 | 110.2 | V24 E87 | V24-K84 WeakPolarHBondContact CB-O 3.44Å; K84-E87 HydrophobicContact CB-CB 4.08Å; K84-E87 HydrophobicContact CB-CG 4.05Å; K84-E87 HydrophobicContact CD-CG 4.36Å; K84-E87 WeakPolarHBondContact CD-OE1 3.25Å; K84-E87 VanDerWaalsContact CD-OE2 3.3Å; K84-E87 WeakPolarHBondContact CD-OE2 3.39Å; K84-E87 IonicContact NZ-OE1 3.67Å; K84-E87 PolarHBondContact NZ-OE1 2.89Å; K84-E87 VanDerWaalsContact NZ-OE1 3.13Å; K84-E87 IonicContact NZ-OE2 3.44Å; K84-E87 PolarHBondContact NZ-OE2 2.88Å; K84-E87 PolarHBondContact O-N 2.98Å | ||
| 85 | L | 97.3 | Very high | 97.6 | Very high | 71 Ų | 71 | 47.8 Ų | 47.8 | 37% | 0.372 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | 132.8 | 176.4 | -63.4 | 170.7 | 0 | 0 | 0 | 110 | V24 P25 A28 F55 E87 | V24-L85 HydrophobicContact CG1-CD2 3.96Å; P25-L85 WeakPolarHBondContact O-CD2 3.28Å; A28-L85 HydrophobicContact CB-CD2 3.85Å; F55-L85 HydrophobicContact CB-CD2 4.43Å; F55-L85 HydrophobicContact CD1-CD1 4.41Å; F55-L85 HydrophobicContact CD1-CD2 3.55Å; F55-L85 HydrophobicContact CD1-CG 3.78Å; F55-L85 HydrophobicContact CD2-CD2 4.38Å; F55-L85 HydrophobicContact CE1-CD2 3.81Å; F55-L85 HydrophobicContact CE1-CG 4.01Å; F55-L85 HydrophobicContact CG-CD2 3.87Å; F55-L85 HydrophobicContact CZ-CD2 4.36Å; L85-E87 VanDerWaalsContact C-N 3.26Å; L85-E87 PolarHBondContact O-N 3.16Å |
| 86 | G | 97.9 | Very high | 97.5 | Very high | 31 Ų | 31 | 45.3 Ų | 45.3 | 32% | 0.32 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.1 | 5.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | V24 | V24-G86 VanDerWaalsContact O-CA 3.22Å; V24-G86 WeakPolarHBondContact O-CA 3.33Å; V24-G86 PolarHBondContact O-N 2.83Å |
| 87 | E | 98.4 | Very high | 97.3 | Very high | 93 Ų | 93 | 48.8 Ų | 48.8 | 44% | 0.435 | 27% | 0.271 | S | S | . | . | trans | -110 | 152 | 179.2 | -67.7 | -167.8 | -155.6 | 0 | 0 | 112.3 | V24 K84 L85 | V24-E87 PolarHBondContact N-O 3.27Å; K84-E87 HydrophobicContact CB-CB 4.08Å; K84-E87 HydrophobicContact CB-CG 4.05Å; K84-E87 HydrophobicContact CD-CG 4.36Å; K84-E87 WeakPolarHBondContact CD-OE1 3.25Å; K84-E87 VanDerWaalsContact CD-OE2 3.3Å; K84-E87 WeakPolarHBondContact CD-OE2 3.39Å; K84-E87 IonicContact NZ-OE1 3.67Å; K84-E87 PolarHBondContact NZ-OE1 2.89Å; K84-E87 VanDerWaalsContact NZ-OE1 3.13Å; K84-E87 IonicContact NZ-OE2 3.44Å; K84-E87 PolarHBondContact NZ-OE2 2.88Å; K84-E87 PolarHBondContact O-N 2.98Å; L85-E87 VanDerWaalsContact C-N 3.26Å; L85-E87 PolarHBondContact O-N 3.16Å | ||
| 88 | Q | 98.6 | Very high | 97.3 | Very high | 117 Ų | 117 | 52.7 Ų | 52.7 | 55% | 0.547 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 153.1 | 172 | -60.8 | -176.3 | 13.6 | 0 | 0 | 110.8 | G22 E23 Y133 | G22-Q88 CarbonylContact O-C 3.48Å; G22-Q88 VanDerWaalsContact O-CA 3.25Å; G22-Q88 WeakPolarHBondContact O-CA 3.3Å; E23-Q88 HydrophobicContact CB-CG 4.38Å; Q88-Y133 HydrophobicContact CG-CE2 3.95Å |
| 89 | F | 98.6 | Very high | 97.4 | Very high | 10 Ų | 10 | 49.3 Ų | 49.3 | 4% | 0.044 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 158.2 | 174.3 | 71.5 | -92.9 | 0 | 0 | 0 | 111.8 | I20 A21 G22 V24 F31 F83 V91 N105 V130 | I20-F89 HydrophobicContact CG2-CE2 4.27Å; A21-F89 WeakPolarHBondContact CA-O 3.21Å; G22-F89 PolarHBondContact N-O 2.85Å; G22-F89 PolarHBondContact O-N 2.84Å; V24-F89 HydrophobicContact CG2-CD1 3.73Å; V24-F89 HydrophobicContact CG2-CE1 4.02Å; F31-F89 HydrophobicContact CE2-CE2 4.42Å; F31-F89 HydrophobicContact CE2-CZ 4.02Å; F31-F89 HydrophobicContact CZ-CE1 4.09Å; F31-F89 HydrophobicContact CZ-CE2 4.39Å; F31-F89 AromaticContact CZ-CZ 3.97Å; F31-F89 HydrophobicContact CZ-CZ 3.97Å; F83-F89 HydrophobicContact CD1-CB 4.02Å; F83-F89 HydrophobicContact CD1-CD1 4.36Å; F83-F89 HydrophobicContact CD1-CD2 4.46Å; F83-F89 HydrophobicContact CD1-CG 4.02Å; F83-F89 HydrophobicContact CE1-CB 4.08Å; F83-F89 AromaticContact CE1-CD2 3.88Å; F83-F89 HydrophobicContact CE1-CD2 3.88Å; F83-F89 HydrophobicContact CE1-CE2 4.47Å; F83-F89 AromaticContact CE1-CG 3.9Å; F83-F89 HydrophobicContact CE1-CG 3.9Å; F89-V91 HydrophobicContact CD2-CG2 3.83Å; F89-V91 HydrophobicContact CE2-CG2 4.01Å; F89-N105 VanDerWaalsContact CA-OD1 3.25Å; F89-N105 WeakPolarHBondContact CA-OD1 3.41Å; F89-V130 HydrophobicContact CE1-CG2 3.73Å; F89-V130 HydrophobicContact CZ-CG2 3.7Å |
| 90 | E | 98.6 | Very high | 97.7 | Very high | 21 Ų | 21 | 46.6 Ų | 46.6 | 10% | 0.098 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 127.3 | 166.3 | -176.8 | 178.3 | -106.2 | 0 | 0 | 109.1 | R19 I20 L92 V104 N105 | R19-E90 HydrophobicContact CG-CG 4.43Å; R19-E90 IonicContact CZ-OE1 3.13Å; R19-E90 IonicContact NE-OE1 2.74Å; R19-E90 PolarHBondContact NE-OE1 2.84Å; R19-E90 IonicContact NH2-OE1 3.9Å; R19-E90 PolarHBondContact NH2-OE1 3Å; I20-E90 CarbonylContact O-C 3.51Å; I20-E90 WeakPolarHBondContact O-CA 3.25Å; E90-L92 HydrophobicContact CG-CG 4.35Å; E90-V104 CarbonylContact O-C 3.54Å; E90-V104 VanDerWaalsContact O-CA 3.29Å; E90-V104 WeakPolarHBondContact O-CA 3.49Å; E90-N105 PolarHBondContact N-OD1 2.77Å; E90-N105 PolarHBondContact O-N 2.81Å |
| 91 | V | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 130.2 | 170.1 | 179.5 | 0 | 0 | 0 | 0 | 108.5 | R19 I20 I33 F83 F89 I93 I102 A103 V104 | R19-V91 WeakPolarHBondContact CA-O 3.15Å; I20-V91 HydrophobicContact CB-CB 4.36Å; I20-V91 HydrophobicContact CD1-CB 4.47Å; I20-V91 HydrophobicContact CD1-CG1 4.47Å; I20-V91 PolarHBondContact N-O 3.23Å; I20-V91 PolarHBondContact O-N 3.29Å; I33-V91 HydrophobicContact CD1-CB 4.05Å; I33-V91 HydrophobicContact CD1-CG1 4.14Å; I33-V91 HydrophobicContact CD1-CG2 3.9Å; F83-V91 HydrophobicContact CE1-CG2 3.96Å; F83-V91 HydrophobicContact CZ-CG2 3.89Å; F89-V91 HydrophobicContact CD2-CG2 3.83Å; F89-V91 HydrophobicContact CE2-CG2 4.01Å; V91-I93 HydrophobicContact CG1-CG1 4.03Å; V91-I102 HydrophobicContact CG1-CG2 4.27Å; V91-A103 WeakPolarHBondContact CA-O 3.43Å; V91-V104 HydrophobicContact CG2-CG2 4.31Å |
| 92 | L | 98.5 | Very high | 97.9 | Very high | 10 Ų | 10 | 40.2 Ų | 40.2 | 5% | 0.052 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 128.6 | 171.7 | -66.5 | 169.6 | 0 | 0 | 0 | 109.1 | I17 I18 R19 E90 I102 A103 F280 | I17-L92 HydrophobicContact CG2-CD2 4.22Å; I18-L92 CarbonylContact O-C 3.48Å; I18-L92 WeakPolarHBondContact O-CA 3.28Å; R19-L92 HydrophobicContact CB-CD2 3.53Å; R19-L92 HydrophobicContact CG-CD2 3.61Å; E90-L92 HydrophobicContact CG-CG 4.35Å; L92-I102 WeakPolarHBondContact O-CA 3.4Å; L92-A103 PolarHBondContact N-O 2.92Å; L92-A103 PolarHBondContact O-N 2.95Å; L92-F280 HydrophobicContact CB-CD1 4.39Å; L92-F280 HydrophobicContact CB-CD2 4.2Å; L92-F280 HydrophobicContact CB-CE1 3.71Å; L92-F280 HydrophobicContact CB-CE2 3.49Å; L92-F280 VanDerWaalsContact CB-CE2 3.49Å; L92-F280 HydrophobicContact CB-CZ 3.18Å; L92-F280 HydrophobicContact CD1-CD1 4.49Å; L92-F280 HydrophobicContact CD1-CD2 3.29Å; L92-F280 HydrophobicContact CD1-CE1 4.5Å; L92-F280 HydrophobicContact CD1-CE2 3.31Å; L92-F280 HydrophobicContact CD1-CG 3.9Å; L92-F280 HydrophobicContact CD1-CZ 3.94Å; L92-F280 HydrophobicContact CG-CD2 4.33Å; L92-F280 HydrophobicContact CG-CE2 4.01Å; L92-F280 HydrophobicContact CG-CZ 4.16Å |
| 93 | I | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 113.7 | 177 | -51.3 | 173 | 0 | 0 | 0 | 107.7 | I17 I18 I20 I33 L35 L49 I51 V91 Y100 K101 | I17-I93 WeakPolarHBondContact CA-O 3.45Å; I18-I93 HydrophobicContact CB-CB 4.25Å; I18-I93 PolarHBondContact N-O 3.26Å; I18-I93 PolarHBondContact O-N 3.26Å; I20-I93 HydrophobicContact CD1-CD1 4.1Å; I20-I93 HydrophobicContact CD1-CG1 4.45Å; I33-I93 HydrophobicContact CG2-CD1 4.23Å; L35-I93 HydrophobicContact CD1-CG2 4.49Å; L49-I93 HydrophobicContact CD2-CD1 4.45Å; L49-I93 HydrophobicContact CD2-CG2 4.16Å; I51-I93 HydrophobicContact CD1-CD1 3.75Å; I51-I93 HydrophobicContact CD1-CG1 4.23Å; V91-I93 HydrophobicContact CG1-CG1 4.03Å; I93-Y100 HydrophobicContact CG2-CD1 3.83Å; I93-Y100 HydrophobicContact CG2-CG 4.34Å; I93-K101 WeakPolarHBondContact CA-O 3.45Å |
| 94 | L | 97.9 | Very high | 98 | Very high | 11 Ų | 11 | 39.2 Ų | 39.2 | 6% | 0.058 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 127.4 | 171.3 | 171.7 | 67.2 | 0 | 0 | 0 | 109.5 | I17 E96 Y100 K101 F280 | I17-L94 HydrophobicContact CG1-CD1 3.78Å; L94-E96 HydrophobicContact CD2-CG 3.87Å; L94-E96 HydrophobicContact CG-CG 3.91Å; L94-Y100 WeakPolarHBondContact O-CA 3.39Å; L94-K101 HydrophobicContact CB-CB 4.33Å; L94-K101 PolarHBondContact N-O 3.16Å; L94-K101 PolarHBondContact O-N 2.85Å; L94-F280 HydrophobicContact CB-CE1 3.91Å |
| 95 | V | 98.1 | Very high | 98 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 112 | 173.7 | -174.1 | 0 | 0 | 0 | 0 | 109.2 | G15 L16 Y100 F118 | G15-V95 PolarHBondContact N-O 3.39Å; L16-V95 HydrophobicContact CB-CB 4.29Å; L16-V95 HydrophobicContact CB-CG2 4.01Å; L16-V95 PolarHBondContact O-N 3.32Å; V95-Y100 HydrophobicContact CG1-CE1 4.3Å; V95-Y100 HydrophobicContact CG2-CD1 4.07Å; V95-Y100 HydrophobicContact CG2-CE1 3.93Å; V95-F118 HydrophobicContact CG1-CB 3.92Å; V95-F118 HydrophobicContact CG1-CD1 4.35Å; V95-F118 HydrophobicContact CG1-CD2 3.69Å; V95-F118 HydrophobicContact CG1-CE2 4.33Å; V95-F118 HydrophobicContact CG1-CG 3.72Å |
| 96 | E | 96.8 | Very high | 97.9 | Very high | 42 Ų | 42 | 36.4 Ų | 36.4 | 20% | 0.196 | 20% | 0.199 | C | C | . | . | trans | -111.1 | 174.4 | 172.2 | -64.6 | -168.1 | 156.7 | 0 | 0 | 111.3 | N14 L94 G99 K101 H114 | N14-E96 VanDerWaalsContact ND2-C 3.28Å; N14-E96 WeakPolarHBondContact ND2-CA 3.2Å; L94-E96 HydrophobicContact CD2-CG 3.87Å; L94-E96 HydrophobicContact CG-CG 3.91Å; E96-G99 CarbonylContact C-O 3.56Å; E96-G99 WeakPolarHBondContact CA-O 3.39Å; E96-G99 WeakPolarHBondContact CB-O 3.38Å; E96-G99 PolarHBondContact N-O 3.34Å; E96-K101 VanDerWaalsContact CD-CE 3.48Å; E96-K101 WeakPolarHBondContact OE1-CE 3.16Å; E96-K101 IonicContact OE1-NZ 3.81Å; E96-K101 PolarHBondContact OE1-NZ 2.79Å; E96-K101 WeakPolarHBondContact OE2-CE 3.47Å; E96-K101 IonicContact OE2-NZ 2.71Å; E96-K101 PolarHBondContact OE2-NZ 3.19Å; E96-H114 PolarHBondContact O-NE2 3.39Å | ||
| 97 | H | 95.9 | Very high | 97.8 | Very high | 134 Ų | 134 | 40.8 Ų | 40.8 | 62% | 0.62 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -68.5 | -38.3 | -179.2 | -177.2 | -92.8 | 0 | 0 | 0 | 111.7 | N14 H114 | N14-H97 PolarHBondContact ND2-N 2.65Å; H97-H114 PolarHBondContact O-CD2 3.43Å; H97-H114 VanDerWaalsContact O-CD2 3.26Å |
| 98 | E | 96 | Very high | 97.8 | Very high | 141 Ų | 141 | 39.9 Ų | 39.9 | 66% | 0.659 | 21% | 0.206 | S | C | * | . | S | Bend | trans | -82.2 | -26.3 | -177.3 | -60.8 | -53.9 | 130.4 | 0 | 0 | 113.3 | ||
| 99 | G | 98 | Very high | 97.7 | Very high | 8 Ų | 8 | 35.1 Ų | 35.1 | 8% | 0.082 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 175.2 | -167.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | E96 Y112 H114 | E96-G99 CarbonylContact C-O 3.56Å; E96-G99 WeakPolarHBondContact CA-O 3.39Å; E96-G99 WeakPolarHBondContact CB-O 3.38Å; E96-G99 PolarHBondContact N-O 3.34Å; G99-Y112 CarbonylContact C-O 3.55Å; G99-Y112 WeakPolarHBondContact CA-O 3.42Å; G99-H114 VanDerWaalsContact CA-CD2 3.43Å; G99-H114 WeakPolarHBondContact CA-CD2 3.42Å; G99-H114 VanDerWaalsContact CA-NE2 3.25Å; G99-H114 WeakPolarHBondContact CA-NE2 3.36Å; G99-H114 PolarHBondContact N-CD2 3.39Å; G99-H114 VanDerWaalsContact N-CD2 3.3Å; G99-H114 PolarHBondContact N-NE2 2.92Å; G99-H114 PolarHBondContact O-NE2 3.02Å |
| 100 | Y | 98.6 | Very high | 97.7 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 0% | 0.004 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 134.7 | 169.7 | -57 | -86.8 | 0 | 0 | 0 | 109.6 | L35 V48 L49 I93 L94 V95 E111 Y112 H114 F118 | L35-Y100 HydrophobicContact CD1-CD1 4.22Å; L35-Y100 HydrophobicContact CD1-CE1 3.71Å; V48-Y100 HydrophobicContact CG1-CE2 4.34Å; V48-Y100 WeakPolarHBondContact CG1-OH 3.23Å; L49-Y100 HydrophobicContact CB-CD2 4.35Å; L49-Y100 HydrophobicContact CB-CE2 4.09Å; L49-Y100 HydrophobicContact CD2-CD1 4.03Å; L49-Y100 HydrophobicContact CD2-CD2 3.87Å; L49-Y100 HydrophobicContact CD2-CE1 4.48Å; L49-Y100 HydrophobicContact CD2-CE2 4.32Å; L49-Y100 HydrophobicContact CD2-CG 3.69Å; I93-Y100 HydrophobicContact CG2-CD1 3.83Å; I93-Y100 HydrophobicContact CG2-CG 4.34Å; L94-Y100 WeakPolarHBondContact O-CA 3.39Å; V95-Y100 HydrophobicContact CG1-CE1 4.3Å; V95-Y100 HydrophobicContact CG2-CD1 4.07Å; V95-Y100 HydrophobicContact CG2-CE1 3.93Å; Y100-E111 CarbonylContact O-C 3.55Å; Y100-E111 VanDerWaalsContact O-CA 3.28Å; Y100-E111 WeakPolarHBondContact O-CA 3.47Å; Y100-Y112 HydrophobicContact CD2-CD1 4.08Å; Y100-Y112 PolarHBondContact N-O 2.84Å; Y100-Y112 PolarHBondContact O-N 2.81Å; Y100-H114 AromaticContact CD2-CE1 3.7Å; Y100-H114 AromaticContact CD2-ND1 3.71Å; Y100-H114 AromaticContact CE1-CE1 4Å; Y100-H114 AromaticContact CE2-CE1 3.39Å; Y100-H114 WeakPolarHBondContact CE2-CE1 3.15Å; Y100-H114 AromaticContact CE2-ND1 3.16Å; Y100-H114 WeakPolarHBondContact CE2-ND1 3.44Å; Y100-H114 AromaticContact CZ-CE1 3.54Å; Y100-H114 AromaticContact CZ-ND1 3.61Å; Y100-F118 HydrophobicContact CE1-CB 4.39Å; Y100-F118 VanDerWaalsContact OH-CB 3.31Å; Y100-F118 WeakPolarHBondContact OH-CB 3.31Å |
| 101 | K | 98.5 | Very high | 97.7 | Very high | 6 Ų | 6 | 39.6 Ų | 39.6 | 3% | 0.026 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 130.2 | 164.4 | -65.6 | -169.4 | 176.5 | 147.4 | 0 | 109.4 | I93 L94 E96 E111 I284 | I93-K101 WeakPolarHBondContact CA-O 3.45Å; L94-K101 HydrophobicContact CB-CB 4.33Å; L94-K101 PolarHBondContact N-O 3.16Å; L94-K101 PolarHBondContact O-N 2.85Å; E96-K101 VanDerWaalsContact CD-CE 3.48Å; E96-K101 WeakPolarHBondContact OE1-CE 3.16Å; E96-K101 IonicContact OE1-NZ 3.81Å; E96-K101 PolarHBondContact OE1-NZ 2.79Å; E96-K101 WeakPolarHBondContact OE2-CE 3.47Å; E96-K101 IonicContact OE2-NZ 2.71Å; E96-K101 PolarHBondContact OE2-NZ 3.19Å; K101-E111 WeakPolarHBondContact CE-OE1 3.26Å; K101-E111 HydrophobicContact CG-CG 4.2Å; K101-I284 HydrophobicContact CB-CG2 4.4Å; K101-I284 HydrophobicContact CD-CG2 3.43Å; K101-I284 VanDerWaalsContact CD-CG2 3.43Å |
| 102 | I | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 127.9 | -175.8 | -56.7 | 162.2 | 0 | 0 | 0 | 107.5 | I51 R64 V91 L92 Y109 A110 | I51-I102 HydrophobicContact CD1-CD1 3.67Å; I51-I102 HydrophobicContact CD1-CG1 4.08Å; I51-I102 HydrophobicContact CD1-CG2 4.25Å; I51-I102 HydrophobicContact CG1-CD1 4.18Å; R64-I102 HydrophobicContact CG-CD1 4.38Å; V91-I102 HydrophobicContact CG1-CG2 4.27Å; L92-I102 WeakPolarHBondContact O-CA 3.4Å; I102-Y109 HydrophobicContact CG2-CD1 4.18Å; I102-Y109 WeakPolarHBondContact O-CA 3.26Å; I102-Y109 WeakPolarHBondContact O-CB 3.25Å; I102-Y109 PolarHBondContact O-N 2.88Å; I102-A110 PolarHBondContact N-O 2.96Å; I102-A110 PolarHBondContact O-N 2.86Å; I102-A110 VanDerWaalsContact O-N 3.14Å |
| 103 | A | 98.4 | Very high | 97.7 | Very high | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.008 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 149.2 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | V91 L92 E107 F280 I284 | V91-A103 WeakPolarHBondContact CA-O 3.43Å; L92-A103 PolarHBondContact N-O 2.92Å; L92-A103 PolarHBondContact O-N 2.95Å; A103-E107 CarbonylContact C-O 3.5Å; A103-E107 WeakPolarHBondContact CA-O 3.16Å; A103-E107 WeakPolarHBondContact CB-O 3.35Å; A103-F280 HydrophobicContact CB-CE2 3.6Å; A103-F280 HydrophobicContact CB-CZ 3.76Å; A103-I284 HydrophobicContact CB-CD1 3.83Å |
| 104 | V | 98.3 | Very high | 97.7 | Very high | 6 Ų | 6 | 50.8 Ų | 50.8 | 4% | 0.036 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 128.2 | 175.4 | -173.9 | 0 | 0 | 0 | 0 | 107.8 | P82 F83 E90 V91 G106 E107 Y109 | P82-V104 HydrophobicContact CB-CB 3.95Å; P82-V104 HydrophobicContact CB-CG1 3.78Å; P82-V104 HydrophobicContact CB-CG2 4.47Å; P82-V104 HydrophobicContact CG-CB 3.94Å; P82-V104 HydrophobicContact CG-CG1 3.9Å; P82-V104 HydrophobicContact CG-CG2 3.91Å; F83-V104 HydrophobicContact CE1-CG1 3.91Å; F83-V104 HydrophobicContact CE2-CG2 4.42Å; F83-V104 HydrophobicContact CZ-CG1 3.91Å; F83-V104 HydrophobicContact CZ-CG2 3.99Å; E90-V104 CarbonylContact O-C 3.54Å; E90-V104 VanDerWaalsContact O-CA 3.29Å; E90-V104 WeakPolarHBondContact O-CA 3.49Å; V91-V104 HydrophobicContact CG2-CG2 4.31Å; V104-G106 PolarHBondContact O-N 3.41Å; V104-E107 PolarHBondContact N-O 3.3Å; V104-E107 PolarHBondContact O-N 3.27Å; V104-Y109 HydrophobicContact CG2-CD1 4.45Å; V104-Y109 HydrophobicContact CG2-CG 4.05Å |
| 105 | N | 97.4 | Very high | 97.7 | Very high | 77 Ų | 77 | 54.7 Ų | 54.7 | 41% | 0.412 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 39.5 | 178.6 | -60.1 | -26.2 | 0 | 0 | 0 | 113.7 | F89 E90 E107 | F89-N105 VanDerWaalsContact CA-OD1 3.25Å; F89-N105 WeakPolarHBondContact CA-OD1 3.41Å; E90-N105 PolarHBondContact N-OD1 2.77Å; E90-N105 PolarHBondContact O-N 2.81Å; N105-E107 VanDerWaalsContact C-N 3.25Å; N105-E107 PolarHBondContact O-N 2.92Å |
| 106 | G | 95.1 | Very high | 97.7 | Very high | 56 Ų | 56 | 56.6 Ų | 56.6 | 58% | 0.577 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.3 | -4.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | V104 | V104-G106 PolarHBondContact O-N 3.41Š|
| 107 | E | 96.7 | Very high | 97.8 | Very high | 123 Ų | 123 | 58.6 Ų | 58.6 | 58% | 0.575 | 29% | 0.29 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 139.4 | 178.3 | -168.1 | 179.5 | 162.3 | 0 | 0 | 111.1 | A103 V104 N105 Y109 | A103-E107 CarbonylContact C-O 3.5Å; A103-E107 WeakPolarHBondContact CA-O 3.16Å; A103-E107 WeakPolarHBondContact CB-O 3.35Å; V104-E107 PolarHBondContact N-O 3.3Å; V104-E107 PolarHBondContact O-N 3.27Å; N105-E107 VanDerWaalsContact C-N 3.25Å; N105-E107 PolarHBondContact O-N 2.92Å; E107-Y109 PolarHBondContact O-N 2.85Å |
| 108 | H | 97.2 | Very high | 97.9 | Very high | 73 Ų | 73 | 54 Ų | 54 | 34% | 0.338 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 127.2 | 171.9 | 179.4 | 82.7 | 0 | 0 | 0 | 110 | ||
| 109 | Y | 98.1 | Very high | 97.9 | Very high | 17 Ų | 17 | 50.7 Ų | 50.7 | 7% | 0.067 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | -53.3 | -177.7 | 179.1 | -110.5 | 0 | 0 | 0 | 112.3 | V62 H80 P82 I102 V104 E107 | V62-Y109 HydrophobicContact CB-CE1 4.12Å; V62-Y109 VanDerWaalsContact CB-OH 3.25Å; V62-Y109 WeakPolarHBondContact CB-OH 3.17Å; V62-Y109 HydrophobicContact CG1-CE1 4.12Å; V62-Y109 HydrophobicContact CG2-CE1 4.35Å; V62-Y109 WeakPolarHBondContact CG2-OH 3.43Å; H80-Y109 AromaticContact CE1-CD2 3.85Å; H80-Y109 AromaticContact NE2-CD2 3.82Å; H80-Y109 WeakPolarHBondContact O-CE2 3.3Å; H80-Y109 PolarHBondContact O-OH 3.06Å; P82-Y109 HydrophobicContact CB-CD2 4.48Å; P82-Y109 HydrophobicContact CG-CD2 3.77Å; P82-Y109 HydrophobicContact CG-CE2 3.75Å; P82-Y109 HydrophobicContact CG-CG 4.47Å; I102-Y109 HydrophobicContact CG2-CD1 4.18Å; I102-Y109 WeakPolarHBondContact O-CA 3.26Å; I102-Y109 WeakPolarHBondContact O-CB 3.25Å; I102-Y109 PolarHBondContact O-N 2.88Å; V104-Y109 HydrophobicContact CG2-CD1 4.45Å; V104-Y109 HydrophobicContact CG2-CG 4.05Å; E107-Y109 PolarHBondContact O-N 2.85Å |
| 110 | A | 98.1 | Very high | 97.9 | Very high | 10 Ų | 10 | 52.7 Ų | 52.7 | 8% | 0.083 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.7 | 162 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | I102 | I102-A110 PolarHBondContact N-O 2.96Å; I102-A110 PolarHBondContact O-N 2.86Å; I102-A110 VanDerWaalsContact O-N 3.14Å |
| 111 | E | 98.3 | Very high | 97.9 | Very high | 116 Ų | 116 | 52.8 Ų | 52.8 | 54% | 0.542 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 143.5 | 163.4 | -55.4 | -168.5 | 162.8 | 0 | 0 | 109.6 | Y100 K101 | Y100-E111 CarbonylContact O-C 3.55Å; Y100-E111 VanDerWaalsContact O-CA 3.28Å; Y100-E111 WeakPolarHBondContact O-CA 3.47Å; K101-E111 WeakPolarHBondContact CE-OE1 3.26Å; K101-E111 HydrophobicContact CG-CG 4.2Å |
| 112 | Y | 98.7 | Very high | 97.9 | Very high | 1 Ų | 1 | 55.4 Ų | 55.4 | 0% | 0.004 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 114 | 176.2 | -171.5 | -96.5 | 0 | 0 | 0 | 109.9 | L49 R64 N65 S66 E76 G99 Y100 R115 | L49-Y112 HydrophobicContact CD1-CD1 3.58Å; L49-Y112 HydrophobicContact CD1-CD2 4.25Å; L49-Y112 HydrophobicContact CD1-CE1 3.97Å; L49-Y112 HydrophobicContact CD1-CG 3.7Å; R64-Y112 HydrophobicContact CB-CD2 3.65Å; R64-Y112 HydrophobicContact CB-CE2 3.8Å; N65-Y112 WeakPolarHBondContact CA-OH 3.36Å; N65-Y112 PolarHBondContact O-OH 2.99Å; S66-Y112 PolarHBondContact N-OH 3.09Å; S66-Y112 PolarHBondContact OG-OH 3.46Å; S66-Y112 VanDerWaalsContact OG-OH 3.04Å; E76-Y112 HydrophobicContact CG-CE2 4.41Å; E76-Y112 WeakPolarHBondContact OE1-CE2 3.3Å; E76-Y112 VanDerWaalsContact OE2-CD2 3.3Å; E76-Y112 WeakPolarHBondContact OE2-CD2 3.08Å; G99-Y112 CarbonylContact C-O 3.55Å; G99-Y112 WeakPolarHBondContact CA-O 3.42Å; Y100-Y112 HydrophobicContact CD2-CD1 4.08Å; Y100-Y112 PolarHBondContact N-O 2.84Å; Y100-Y112 PolarHBondContact O-N 2.81Å; Y112-R115 HydrophobicContact CE1-CG 4.32Å; Y112-R115 VanDerWaalsContact OH-CD 3.23Å; Y112-R115 WeakPolarHBondContact OH-CD 3.49Å; Y112-R115 PolarHBondContact OH-NE 3.27Å; Y112-R115 PolarHBondContact OH-NH1 3.45Å |
| 113 | R | 98.6 | Very high | 97.9 | Very high | 199 Ų | 199 | 55.4 Ų | 55.4 | 75% | 0.751 | 29% | 0.291 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 141.1 | -179.8 | -73.9 | -172.9 | 167.9 | 93.5 | 2.1 | 111 | R115 | R113-R115 PolarHBondContact O-N 2.68Å; R113-R115 VanDerWaalsContact O-N 3.15Å |
| 114 | H | 98.3 | Very high | 97.9 | Very high | 45 Ų | 45 | 55.4 Ų | 55.4 | 21% | 0.208 | 29% | 0.291 | C | S | . | . | trans | -61.3 | 118.6 | 178.3 | -68.4 | -52.4 | 0 | 0 | 0 | 111.3 | E96 H97 G99 Y100 F118 | E96-H114 PolarHBondContact O-NE2 3.39Å; H97-H114 PolarHBondContact O-CD2 3.43Å; H97-H114 VanDerWaalsContact O-CD2 3.26Å; G99-H114 VanDerWaalsContact CA-CD2 3.43Å; G99-H114 WeakPolarHBondContact CA-CD2 3.42Å; G99-H114 VanDerWaalsContact CA-NE2 3.25Å; G99-H114 WeakPolarHBondContact CA-NE2 3.36Å; G99-H114 PolarHBondContact N-CD2 3.39Å; G99-H114 VanDerWaalsContact N-CD2 3.3Å; G99-H114 PolarHBondContact N-NE2 2.92Å; G99-H114 PolarHBondContact O-NE2 3.02Å; Y100-H114 AromaticContact CD2-CE1 3.7Å; Y100-H114 AromaticContact CD2-ND1 3.71Å; Y100-H114 AromaticContact CE1-CE1 4Å; Y100-H114 AromaticContact CE2-CE1 3.39Å; Y100-H114 WeakPolarHBondContact CE2-CE1 3.15Å; Y100-H114 AromaticContact CE2-ND1 3.16Å; Y100-H114 WeakPolarHBondContact CE2-ND1 3.44Å; Y100-H114 AromaticContact CZ-CE1 3.54Å; Y100-H114 AromaticContact CZ-ND1 3.61Å; H114-F118 AromaticContact CD2-CD1 3.81Å; H114-F118 AromaticContact CE1-CD1 3.64Å; H114-F118 AromaticContact NE2-CD1 3.39Å; H114-F118 WeakPolarHBondContact NE2-CD1 3.46Å | ||
| 115 | R | 98.4 | Very high | 97.9 | Very high | 92 Ų | 92 | 55.1 Ų | 55.1 | 35% | 0.347 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -95.2 | -22.8 | 169.3 | -58.9 | -171.4 | -175.2 | 174.3 | 4.1 | 112.7 | N65 N74 E76 Y112 R113 | N65-R115 PolarHBondContact OD1-NH1 2.72Å; N74-R115 VanDerWaalsContact O-CZ 3.25Å; N74-R115 PolarHBondContact O-NH1 2.84Å; N74-R115 PolarHBondContact O-NH2 3.46Å; E76-R115 IonicContact OE1-CZ 3.48Å; E76-R115 IonicContact OE1-NE 3.69Å; E76-R115 IonicContact OE1-NH2 3.46Å; E76-R115 PolarHBondContact OE1-NH2 2.86Å; Y112-R115 HydrophobicContact CE1-CG 4.32Å; Y112-R115 VanDerWaalsContact OH-CD 3.23Å; Y112-R115 WeakPolarHBondContact OH-CD 3.49Å; Y112-R115 PolarHBondContact OH-NE 3.27Å; Y112-R115 PolarHBondContact OH-NH1 3.45Å; R113-R115 PolarHBondContact O-N 2.68Å; R113-R115 VanDerWaalsContact O-N 3.15Å |
| 116 | L | 97.8 | Very high | 97.9 | Very high | 41 Ų | 41 | 51.6 Ų | 51.6 | 22% | 0.215 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -132.6 | 154.9 | 172.9 | -62 | 167.6 | 0 | 0 | 0 | 108.1 | V48 V68 F118 | V48-L116 HydrophobicContact CG1-CB 4.16Å; V48-L116 HydrophobicContact CG2-CB 4.28Å; V48-L116 HydrophobicContact CG2-CD1 4.08Å; V68-L116 HydrophobicContact CG2-CD1 3.67Å; V68-L116 HydrophobicContact CG2-CD2 4.01Å; V68-L116 HydrophobicContact CG2-CG 4.17Å; L116-F118 PolarHBondContact O-N 3.35Å |
| 117 | P | 97.9 | Very high | 98 | Very high | 84 Ų | 84 | 49.7 Ų | 49.7 | 55% | 0.545 | 25% | 0.247 | S | C | . | . | trans | -61.7 | 123.3 | 177.8 | -18 | 30.5 | 0 | 0 | 0 | 110.8 | A119 T120 | P117-A119 PolarHBondContact O-N 3.11Å; P117-A119 VanDerWaalsContact O-N 3.13Å; P117-T120 HydrophobicContact CB-CG2 4.22Å; P117-T120 HydrophobicContact CG-CG2 4.44Å; P117-T120 WeakPolarHBondContact O-CB 3.24Å; P117-T120 PolarHBondContact O-N 2.77Å; P117-T120 PolarHBondContact O-OG1 3.23Å | ||
| 118 | F | 97.9 | Very high | 98 | Very high | 38 Ų | 38 | 44.4 Ų | 44.4 | 17% | 0.167 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -57.2 | -29.5 | 179.8 | 59.7 | -97.8 | 0 | 0 | 0 | 113 | C12 N14 V95 Y100 H114 L116 T120 V121 | C12-F118 VanDerWaalsContact CB-O 3.3Å; C12-F118 WeakPolarHBondContact CB-O 3.3Å; C12-F118 VanDerWaalsContact O-CD2 3.27Å; C12-F118 WeakPolarHBondContact O-CD2 3.07Å; C12-F118 PolarHBondContact SG-O 2.83Å; C12-F118 VanDerWaalsContact SG-O 3.35Å; N14-F118 HydrophobicContact CB-CZ 4.43Å; V95-F118 HydrophobicContact CG1-CB 3.92Å; V95-F118 HydrophobicContact CG1-CD1 4.35Å; V95-F118 HydrophobicContact CG1-CD2 3.69Å; V95-F118 HydrophobicContact CG1-CE2 4.33Å; V95-F118 HydrophobicContact CG1-CG 3.72Å; Y100-F118 HydrophobicContact CE1-CB 4.39Å; Y100-F118 VanDerWaalsContact OH-CB 3.31Å; Y100-F118 WeakPolarHBondContact OH-CB 3.31Å; H114-F118 AromaticContact CD2-CD1 3.81Å; H114-F118 AromaticContact CE1-CD1 3.64Å; H114-F118 AromaticContact NE2-CD1 3.39Å; H114-F118 WeakPolarHBondContact NE2-CD1 3.46Å; L116-F118 PolarHBondContact O-N 3.35Å; F118-T120 PolarHBondContact O-N 2.83Å; F118-V121 WeakPolarHBondContact O-CB 3.3Å; F118-V121 WeakPolarHBondContact O-CG2 3.43Å; F118-V121 PolarHBondContact O-N 2.79Å |
| 119 | A | 97.6 | Very high | 98 | Very high | 71 Ų | 71 | 42.9 Ų | 42.9 | 59% | 0.587 | 22% | 0.22 | S | C | * | . | G | 310 helix | trans | -60.6 | -15 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | P117 V121 | P117-A119 PolarHBondContact O-N 3.11Å; P117-A119 VanDerWaalsContact O-N 3.13Å; A119-V121 VanDerWaalsContact C-N 3.34Å |
| 120 | T | 97.7 | Very high | 98 | Very high | 49 Ų | 49 | 43.1 Ų | 43.1 | 30% | 0.301 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | -81.1 | -13.6 | 174.8 | 63 | 0 | 0 | 0 | 0 | 113.3 | N37 P117 F118 N122 | N37-T120 WeakPolarHBondContact CB-O 3.46Å; N37-T120 PolarHBondContact OD1-O 2.81Å; P117-T120 HydrophobicContact CB-CG2 4.22Å; P117-T120 HydrophobicContact CG-CG2 4.44Å; P117-T120 WeakPolarHBondContact O-CB 3.24Å; P117-T120 PolarHBondContact O-N 2.77Å; P117-T120 PolarHBondContact O-OG1 3.23Å; F118-T120 PolarHBondContact O-N 2.83Å; T120-N122 PolarHBondContact O-N 2.79Å |
| 121 | V | 98.6 | Very high | 98 | Very high | 3 Ų | 3 | 45.8 Ų | 45.8 | 2% | 0.018 | 24% | 0.238 | C | C | . | . | trans | -69 | 122.5 | 178 | 177.8 | 0 | 0 | 0 | 0 | 109.6 | L9 C12 L35 Q36 V48 F118 A119 | L9-V121 HydrophobicContact CD1-CG1 3.93Å; C12-V121 HydrophobicContact CB-CB 3.79Å; C12-V121 HydrophobicContact CB-CG1 4.35Å; C12-V121 WeakPolarHBondContact CB-O 3.33Å; L35-V121 HydrophobicContact CB-CG1 3.78Å; L35-V121 HydrophobicContact CB-CG2 4.03Å; Q36-V121 WeakPolarHBondContact O-CA 3.27Å; V48-V121 HydrophobicContact CB-CG2 3.6Å; V48-V121 HydrophobicContact CG1-CG2 3.76Å; V48-V121 HydrophobicContact CG2-CG2 3.61Å; F118-V121 WeakPolarHBondContact O-CB 3.3Å; F118-V121 WeakPolarHBondContact O-CG2 3.43Å; F118-V121 PolarHBondContact O-N 2.79Å; A119-V121 VanDerWaalsContact C-N 3.34Å | ||
| 122 | N | 98 | Very high | 98 | Very high | 62 Ų | 62 | 42.6 Ų | 42.6 | 33% | 0.332 | 23% | 0.225 | S | C | . | . | trans | -131.2 | 3.1 | 178.1 | 62.8 | 29 | 0 | 0 | 0 | 113.2 | K8 L9 Q36 N37 G38 T120 | K8-N122 WeakPolarHBondContact CA-O 3.36Å; L9-N122 PolarHBondContact N-O 2.88Å; Q36-N122 PolarHBondContact O-N 3.23Å; Q36-N122 PolarHBondContact O-OD1 3.04Å; N37-N122 PolarHBondContact OD1-ND2 3.39Å; G38-N122 WeakPolarHBondContact CA-OD1 3.48Å; G38-N122 PolarHBondContact N-OD1 3.38Å; T120-N122 PolarHBondContact O-N 2.79Å | ||
| 123 | A | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 144.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | K7 Q36 T39 V125 | K7-A123 CarbonylContact O-C 3.41Å; K7-A123 WeakPolarHBondContact O-CA 3.25Å; Q36-A123 HydrophobicContact CB-CB 4.49Å; Q36-A123 PolarHBondContact N-O 2.91Å; Q36-A123 PolarHBondContact O-N 2.87Å; Q36-A123 VanDerWaalsContact O-N 3.16Å; T39-A123 HydrophobicContact CG2-CB 3.61Å; A123-V125 HydrophobicContact CB-CG2 4.49Å |
| 124 | I | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 124 | 162.8 | -56.5 | 168.9 | 0 | 0 | 0 | 106.7 | V6 K7 L9 I18 N34 L35 I126 V135 T137 | V6-I124 WeakPolarHBondContact CA-O 3.38Å; K7-I124 HydrophobicContact CB-CB 4.42Å; K7-I124 PolarHBondContact N-O 2.81Å; K7-I124 PolarHBondContact O-N 2.86Å; L9-I124 HydrophobicContact CD1-CD1 4.14Å; L9-I124 HydrophobicContact CD1-CG1 3.77Å; L9-I124 HydrophobicContact CD2-CD1 3.79Å; L9-I124 HydrophobicContact CD2-CG1 4.12Å; L9-I124 HydrophobicContact CG-CD1 4.27Å; L9-I124 HydrophobicContact CG-CG1 4.03Å; I18-I124 HydrophobicContact CD1-CD1 4.34Å; I18-I124 HydrophobicContact CG2-CD1 3.44Å; I18-I124 VanDerWaalsContact CG2-CD1 3.44Å; I18-I124 HydrophobicContact CG2-CG1 4.47Å; N34-I124 CarbonylContact O-C 3.56Å; N34-I124 WeakPolarHBondContact O-CA 3.44Å; L35-I124 HydrophobicContact CD2-CG1 3.85Å; I124-I126 HydrophobicContact CG2-CD1 4.22Å; I124-I126 HydrophobicContact CG2-CG1 4.08Å; I124-V135 HydrophobicContact CD1-CG1 3.92Å; I124-V135 HydrophobicContact CG2-CG1 4.27Å; I124-T137 HydrophobicContact CD1-CG2 4.22Å |
| 125 | V | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 125.9 | 176 | 176.6 | 0 | 0 | 0 | 0 | 108.3 | V4 F5 V6 N34 Q36 M41 A123 | V4-V125 HydrophobicContact CG1-CG1 3.98Å; F5-V125 CarbonylContact O-C 3.59Å; F5-V125 VanDerWaalsContact O-CA 3.31Å; F5-V125 WeakPolarHBondContact O-CA 3.43Å; V6-V125 HydrophobicContact CG1-CG2 4.23Å; V6-V125 HydrophobicContact CG2-CG1 4.49Å; V6-V125 HydrophobicContact CG2-CG2 4.19Å; N34-V125 WeakPolarHBondContact CA-O 3.35Å; N34-V125 HydrophobicContact CB-CB 4.21Å; N34-V125 VanDerWaalsContact CB-O 3.25Å; N34-V125 WeakPolarHBondContact CB-O 3.31Å; N34-V125 PolarHBondContact N-O 2.88Å; N34-V125 PolarHBondContact ND2-O 3.18Å; N34-V125 PolarHBondContact O-N 2.8Å; Q36-V125 HydrophobicContact CG-CB 4.22Å; Q36-V125 HydrophobicContact CG-CG2 4.01Å; M41-V125 HydrophobicContact CE-CB 4.31Å; M41-V125 HydrophobicContact CE-CG1 3.43Å; M41-V125 VanDerWaalsContact CE-CG1 3.43Å; M41-V125 HydrophobicContact CE-CG2 3.92Å; M41-V125 HydrophobicContact SD-CG1 4.46Å; A123-V125 HydrophobicContact CB-CG2 4.49Å |
| 126 | I | 98.5 | Very high | 97.8 | Very high | 3 Ų | 3 | 37.6 Ų | 37.6 | 2% | 0.015 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 124.3 | 178.2 | -59 | 168.7 | 0 | 0 | 0 | 108.4 | V4 F5 I20 A32 I33 I124 V130 L132 V135 | V4-I126 CarbonylContact C-O 3.47Å; V4-I126 WeakPolarHBondContact CA-O 3.2Å; F5-I126 HydrophobicContact CB-CB 4.31Å; F5-I126 HydrophobicContact CD1-CB 4.48Å; F5-I126 HydrophobicContact CD1-CD1 4.23Å; F5-I126 HydrophobicContact CD1-CG1 4.49Å; F5-I126 PolarHBondContact N-O 3.26Å; F5-I126 PolarHBondContact O-N 2.79Å; I20-I126 HydrophobicContact CG1-CD1 4.16Å; I20-I126 HydrophobicContact CG2-CD1 3.74Å; A32-I126 VanDerWaalsContact O-CA 3.24Å; A32-I126 WeakPolarHBondContact O-CA 3.44Å; A32-I126 WeakPolarHBondContact O-CG2 3.38Å; I33-I126 HydrophobicContact CG1-CG1 4.32Å; I33-I126 HydrophobicContact CG2-CG1 4.34Å; I124-I126 HydrophobicContact CG2-CD1 4.22Å; I124-I126 HydrophobicContact CG2-CG1 4.08Å; I126-V130 HydrophobicContact CG2-CG1 3.79Å; I126-L132 HydrophobicContact CB-CD1 4.01Å; I126-L132 HydrophobicContact CD1-CD1 3.82Å; I126-L132 HydrophobicContact CD1-CD2 3.98Å; I126-L132 HydrophobicContact CG2-CD1 3.95Å; I126-L132 HydrophobicContact CG2-CD2 4.19Å; I126-L132 HydrophobicContact CG2-CG 4.42Å; I126-V135 HydrophobicContact CD1-CG2 3.79Å |
| 127 | D | 97 | Very high | 97.7 | Very high | 16 Ų | 16 | 38.5 Ų | 38.5 | 9% | 0.086 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 159 | -175.2 | 56.6 | -26.3 | 0 | 0 | 0 | 112.3 | N3 V4 F31 A32 N34 R44 | N3-D127 WeakPolarHBondContact O-CA 3.14Å; V4-D127 HydrophobicContact CG2-CB 4.01Å; F31-D127 CarbonylContact C-O 3.57Å; F31-D127 VanDerWaalsContact CA-O 3.28Å; F31-D127 WeakPolarHBondContact CA-O 3.44Å; F31-D127 WeakPolarHBondContact CB-O 3.41Å; A32-D127 WeakPolarHBondContact CB-OD1 3.34Å; A32-D127 PolarHBondContact N-O 2.88Å; A32-D127 PolarHBondContact O-N 2.95Å; A32-D127 VanDerWaalsContact O-N 3.11Å; N34-D127 PolarHBondContact ND2-OD1 3.01Å; R44-D127 IonicContact CZ-OD2 2.66Å; R44-D127 IonicContact NH1-OD2 3.3Å; R44-D127 PolarHBondContact NH1-OD2 3.08Å; R44-D127 IonicContact NH2-OD1 3.18Å; R44-D127 IonicContact NH2-OD2 3.45Å; R44-D127 PolarHBondContact NH2-OD2 3.09Å |
| 128 | G | 96.8 | Very high | 97.5 | Very high | 13 Ų | 13 | 38 Ų | 38 | 13% | 0.134 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 99.2 | -152.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | N3 V130 | N3-G128 PolarHBondContact O-N 3.35Å; G128-V130 PolarHBondContact O-N 3.44Å |
| 129 | D | 97 | Very high | 97.1 | Very high | 41 Ų | 41 | 39.2 Ų | 39.2 | 22% | 0.219 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -90.3 | 81.5 | -170.2 | -53.9 | -37.3 | 0 | 0 | 0 | 110.1 | P25 A28 R29 W30 | P25-D129 WeakPolarHBondContact CD-O 3.11Å; A28-D129 HydrophobicContact CB-CB 3.62Å; R29-D129 WeakPolarHBondContact CB-OD2 3.23Å; R29-D129 PolarHBondContact N-OD2 2.9Å; W30-D129 PolarHBondContact N-OD2 2.66Å; W30-D129 WeakPolarHBondContact O-CB 3.38Å; W30-D129 PolarHBondContact O-N 2.86Å |
| 130 | V | 97.8 | Very high | 96.1 | Very high | 22 Ų | 22 | 40.2 Ų | 40.2 | 13% | 0.133 | 23% | 0.228 | C | C | . | . | trans | -150.2 | 141 | -179.1 | 60.3 | 0 | 0 | 0 | 0 | 111.9 | F31 F89 I126 G128 L132 | F31-V130 HydrophobicContact CB-CB 3.85Å; F31-V130 HydrophobicContact CB-CG1 3.95Å; F31-V130 HydrophobicContact CD1-CB 4.48Å; F31-V130 HydrophobicContact CD2-CB 4.36Å; F31-V130 HydrophobicContact CG-CB 4.01Å; F31-V130 HydrophobicContact CG-CG1 4.42Å; F89-V130 HydrophobicContact CE1-CG2 3.73Å; F89-V130 HydrophobicContact CZ-CG2 3.7Å; I126-V130 HydrophobicContact CG2-CG1 3.79Å; G128-V130 PolarHBondContact O-N 3.44Å; V130-L132 HydrophobicContact CG2-CD2 4.03Å; V130-L132 HydrophobicContact CG2-CG 4.46Å | ||
| 131 | T | 97.6 | Very high | 94.9 | Very high | 65 Ų | 65 | 45.2 Ų | 45.2 | 40% | 0.399 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 117.9 | 167.5 | -58 | 0 | 0 | 0 | 0 | 108.7 | G22 E23 Y133 | G22-T131 CarbonylContact C-O 3.51Å; G22-T131 WeakPolarHBondContact CA-O 3.33Å; E23-T131 PolarHBondContact N-O 3.01Å; E23-T131 PolarHBondContact O-N 3.34Å; T131-Y133 HydrophobicContact CG2-CD1 4.26Å; T131-Y133 HydrophobicContact CG2-CE1 3.76Å |
| 132 | L | 98 | Very high | 93.1 | Very high | 49 Ų | 49 | 53.7 Ų | 53.7 | 26% | 0.257 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 135.9 | -179.8 | -67.6 | 175.6 | 0 | 0 | 0 | 111.8 | F5 I20 I126 V130 V135 | F5-L132 HydrophobicContact CB-CD1 3.59Å; F5-L132 HydrophobicContact CD1-CD1 4.03Å; F5-L132 HydrophobicContact CD2-CD1 4.17Å; F5-L132 HydrophobicContact CG-CD1 3.66Å; I20-L132 HydrophobicContact CG2-CD2 3.83Å; I126-L132 HydrophobicContact CB-CD1 4.01Å; I126-L132 HydrophobicContact CD1-CD1 3.82Å; I126-L132 HydrophobicContact CD1-CD2 3.98Å; I126-L132 HydrophobicContact CG2-CD1 3.95Å; I126-L132 HydrophobicContact CG2-CD2 4.19Å; I126-L132 HydrophobicContact CG2-CG 4.42Å; V130-L132 HydrophobicContact CG2-CD2 4.03Å; V130-L132 HydrophobicContact CG2-CG 4.46Å; L132-V135 HydrophobicContact CD1-CG2 4.31Å |
| 133 | Y | 98 | Very high | 91 | Very high | 112 Ų | 112 | 57 Ų | 57 | 44% | 0.439 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | -37.2 | 173.4 | -53.8 | -32.8 | 0 | 0 | 0 | 112.1 | A21 E23 Q88 T131 | A21-Y133 PolarHBondContact O-N 2.74Å; E23-Y133 HydrophobicContact CB-CE1 4.49Å; E23-Y133 HydrophobicContact CB-CE2 4.14Å; E23-Y133 WeakPolarHBondContact CB-OH 3.35Å; E23-Y133 PolarHBondContact OE2-OH 2.82Å; Q88-Y133 HydrophobicContact CG-CE2 3.95Å; T131-Y133 HydrophobicContact CG2-CD1 4.26Å; T131-Y133 HydrophobicContact CG2-CE1 3.76Å |
| 134 | A | 97.3 | Very high | 88.9 | Confident | 18 Ų | 18 | 62.9 Ų | 62.9 | 15% | 0.149 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 143.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | I20 A21 E136 | I20-A134 WeakPolarHBondContact CA-O 3.22Å; A21-A134 HydrophobicContact CB-CB 4.24Å; A21-A134 PolarHBondContact N-O 3.48Å; A21-A134 PolarHBondContact O-N 3.29Å; A134-E136 HydrophobicContact CB-CG 4.39Å |
| 135 | V | 98.2 | Very high | 86.7 | Confident | 18 Ų | 18 | 68.4 Ų | 68.4 | 11% | 0.109 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 101.2 | 165.9 | -175.2 | 0 | 0 | 0 | 0 | 108.3 | F5 K7 R19 I20 I124 I126 L132 | F5-V135 HydrophobicContact CD1-CG2 4.13Å; F5-V135 HydrophobicContact CE1-CB 3.81Å; F5-V135 HydrophobicContact CE1-CG1 4Å; F5-V135 HydrophobicContact CE1-CG2 3.55Å; F5-V135 HydrophobicContact CZ-CB 3.92Å; F5-V135 HydrophobicContact CZ-CG1 4.49Å; F5-V135 HydrophobicContact CZ-CG2 3.84Å; K7-V135 HydrophobicContact CD-CB 4.34Å; K7-V135 HydrophobicContact CD-CG1 3.85Å; K7-V135 PolarHBondContact NZ-O 2.86Å; R19-V135 CarbonylContact O-C 3.56Å; R19-V135 VanDerWaalsContact O-CA 3.3Å; R19-V135 WeakPolarHBondContact O-CA 3.09Å; I20-V135 HydrophobicContact CG2-CG2 4.48Å; I124-V135 HydrophobicContact CD1-CG1 3.92Å; I124-V135 HydrophobicContact CG2-CG1 4.27Å; I126-V135 HydrophobicContact CD1-CG2 3.79Å; L132-V135 HydrophobicContact CD1-CG2 4.31Å |
| 136 | E | 97.2 | Very high | 84.3 | Confident | 85 Ų | 85 | 74 Ų | 74 | 40% | 0.397 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 153.8 | -168.8 | -67.5 | 166.1 | 163.4 | 0 | 0 | 110.6 | I18 R19 A134 | I18-E136 WeakPolarHBondContact CA-O 3.46Å; R19-E136 HydrophobicContact CB-CB 4.3Å; R19-E136 IonicContact CZ-OE2 3.23Å; R19-E136 PolarHBondContact N-O 2.87Å; R19-E136 IonicContact NH1-OE2 3.13Å; R19-E136 PolarHBondContact NH1-OE2 3.06Å; R19-E136 PolarHBondContact O-N 3.04Å; A134-E136 HydrophobicContact CB-CG 4.39Å |
| 137 | T | 96.5 | Very high | 82.2 | Confident | 59 Ų | 59 | 77.8 Ų | 77.8 | 36% | 0.362 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 127.5 | -176.7 | 46.6 | 0 | 0 | 0 | 0 | 108.6 | K7 L9 I17 I18 I124 | K7-T137 PolarHBondContact NZ-OG1 3.08Å; L9-T137 HydrophobicContact CD2-CG2 3.65Å; I17-T137 CarbonylContact O-C 3.53Å; I17-T137 VanDerWaalsContact O-CA 3.31Å; I17-T137 WeakPolarHBondContact O-CA 3.37Å; I18-T137 HydrophobicContact CG1-CG2 4.35Å; I18-T137 HydrophobicContact CG2-CG2 4.44Å; I124-T137 HydrophobicContact CD1-CG2 4.22Å |
| 138 | Q | 93.5 | Very high | 80.2 | Confident | 73 Ų | 73 | 82.8 Ų | 82.8 | 34% | 0.341 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 118.1 | 176.6 | -178.3 | 170 | -41.1 | 0 | 0 | 109.3 | I17 I277 | I17-Q138 PolarHBondContact N-O 2.65Å; I17-Q138 PolarHBondContact O-N 2.99Å; Q138-I277 HydrophobicContact CB-CG2 3.54Å; Q138-I277 HydrophobicContact CG-CG2 3.92Å |
| 139 | A | 88 | Confident | 78.3 | Confident | 65 Ų | 65 | 89 Ų | 89 | 54% | 0.537 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 134.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | L141 | A139-L141 PolarHBondContact O-N 2.86Å |
| 140 | V | 77.1 | Confident | 75.9 | Confident | 92 Ų | 92 | 94.8 Ų | 94.8 | 56% | 0.558 | 55% | 0.548 | S | S | * | . | P | Polyproline II helix | trans | -69.8 | 117 | 163.8 | 178.4 | 0 | 0 | 0 | 0 | 107 | G15 K142 | G15-V140 WeakPolarHBondContact O-CG2 3.25Å; V140-K142 PolarHBondContact O-N 2.84Å; V140-K142 VanDerWaalsContact O-N 3.16Å |
| 141 | L | 72.3 | Confident | 73.2 | Confident | 153 Ų | 153 | 100.8 Ų | 100.8 | 80% | 0.801 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 123.4 | 174.5 | -64.5 | 175 | 0 | 0 | 0 | 108.1 | A139 T143 | A139-L141 PolarHBondContact O-N 2.86Å; L141-T143 PolarHBondContact O-N 2.77Å |
| 142 | K | 60.4 | Low | 70.8 | Confident | 182 Ų | 182 | 105.6 Ų | 105.6 | 79% | 0.791 | 60% | 0.596 | S | S | * | * | trans | -60.8 | 111.5 | 167.9 | -68.1 | -178.3 | -178.7 | 174.5 | 0 | 106.5 | V140 V144 | V140-K142 PolarHBondContact O-N 2.84Å; V140-K142 VanDerWaalsContact O-N 3.16Å; K142-V144 PolarHBondContact O-N 2.89Å | ||
| 143 | T | 54.8 | Low | 68.6 | Low | 131 Ų | 131 | 113.7 Ų | 113.7 | 80% | 0.804 | 63% | 0.625 | S | S | * | * | trans | -59.8 | 110.3 | 168.4 | 43.5 | 0 | 0 | 0 | 0 | 106.8 | L141 P145 | L141-T143 PolarHBondContact O-N 2.77Å; T143-P145 WeakPolarHBondContact O-CD 3.38Å | ||
| 144 | V | 54 | Low | 65.8 | Low | 123 Ų | 123 | 112.8 Ų | 112.8 | 75% | 0.745 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 122.6 | 167.6 | 179.7 | 0 | 0 | 0 | 0 | 105.3 | K142 S146 | K142-V144 PolarHBondContact O-N 2.89Å; V144-S146 PolarHBondContact O-N 2.81Å |
| 145 | P | 52.6 | Low | 63 | Low | 117 Ų | 117 | 118.4 Ų | 118.4 | 76% | 0.76 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 117 | 172.9 | -19.2 | 30.5 | 0 | 0 | 0 | 107.2 | T143 A147 | T143-P145 WeakPolarHBondContact O-CD 3.38Å; P145-A147 PolarHBondContact O-N 3.46Å |
| 146 | S | 47.4 | Very low | 60 | Low | 116 Ų | 116 | 122 Ų | 122 | 81% | 0.811 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -48.4 | 118.7 | 173.8 | -46.1 | 0 | 0 | 0 | 0 | 107.4 | V144 | V144-S146 PolarHBondContact O-N 2.81Š|
| 147 | A | 54.6 | Low | 57.1 | Low | 83 Ų | 83 | 123 Ų | 123 | 69% | 0.686 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -48.4 | 139.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | P145 V149 | P145-A147 PolarHBondContact O-N 3.46Å; A147-V149 PolarHBondContact O-N 2.98Å; A147-V149 VanDerWaalsContact O-N 3.14Å |
| 148 | P | 54.3 | Low | 54.2 | Low | 121 Ų | 121 | 125.7 Ų | 125.7 | 79% | 0.786 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 126 | 178.4 | -19.3 | 29.8 | 0 | 0 | 0 | 108.5 | E150 | P148-E150 PolarHBondContact O-N 2.83Š|
| 149 | V | 56.9 | Low | 51.3 | Low | 143 Ų | 143 | 128.3 Ų | 128.3 | 87% | 0.867 | 75% | 0.748 | S | S | * | * | trans | -55.6 | 111.7 | 174.1 | -165.9 | 0 | 0 | 0 | 0 | 106.4 | A147 D151 | A147-V149 PolarHBondContact O-N 2.98Å; A147-V149 VanDerWaalsContact O-N 3.14Å; V149-D151 PolarHBondContact O-N 2.82Å; V149-D151 VanDerWaalsContact O-N 3.09Å | ||
| 150 | E | 46.7 | Very low | 48.6 | Very low | 164 Ų | 164 | 128.9 Ų | 128.9 | 77% | 0.766 | 75% | 0.753 | S | S | * | * | trans | -62.1 | 113.5 | 177.7 | -74 | -174.3 | 161 | 0 | 0 | 108.2 | P148 H152 | P148-E150 PolarHBondContact O-N 2.83Å; E150-H152 PolarHBondContact O-N 2.82Å; E150-H152 VanDerWaalsContact O-N 3.09Å | ||
| 151 | D | 42.3 | Very low | 46.6 | Very low | 147 Ų | 147 | 130.4 Ų | 130.4 | 79% | 0.786 | 76% | 0.763 | S | S | * | * | trans | -71.1 | 106.8 | 177 | -146.6 | 9.4 | 0 | 0 | 0 | 107.8 | V149 Y153 | V149-D151 PolarHBondContact O-N 2.82Å; V149-D151 VanDerWaalsContact O-N 3.09Å; D151-Y153 VanDerWaalsContact C-N 3.32Å; D151-Y153 PolarHBondContact O-N 2.9Å | ||
| 152 | H | 46.5 | Very low | 44.6 | Very low | 167 Ų | 167 | 126.8 Ų | 126.8 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | trans | -66.8 | 87.7 | 176.3 | -71.1 | -62.6 | 0 | 0 | 0 | 109.9 | E150 A154 | E150-H152 PolarHBondContact O-N 2.82Å; E150-H152 VanDerWaalsContact O-N 3.09Å; H152-A154 PolarHBondContact O-N 2.8Å | ||
| 153 | Y | 52.6 | Low | 43.6 | Very low | 218 Ų | 218 | 126.9 Ų | 126.9 | 86% | 0.855 | 76% | 0.758 | S | S | * | * | trans | -76.6 | 84.9 | 157.3 | -107.7 | -89.3 | 0 | 0 | 0 | 109.2 | D151 | D151-Y153 VanDerWaalsContact C-N 3.32Å; D151-Y153 PolarHBondContact O-N 2.9Å | ||
| 154 | A | 39.5 | Very low | 42.9 | Very low | 93 Ų | 93 | 126.7 Ų | 126.7 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | trans | -80.5 | 108.5 | 157.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | H152 | H152-A154 PolarHBondContact O-N 2.8Š| ||
| 155 | D | 37 | Very low | 41.8 | Very low | 136 Ų | 136 | 124.1 Ų | 124.1 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | trans | -149.7 | 103.4 | 147.3 | -155.4 | 12.9 | 0 | 0 | 0 | 112.2 | ||||
| 156 | S | 35.5 | Very low | 41.1 | Very low | 94 Ų | 94 | 126.7 Ų | 126.7 | 66% | 0.657 | 76% | 0.764 | S | S | * | * | trans | 49.7 | 135.4 | 132.7 | -52.4 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 157 | S | 36.4 | Very low | 40.5 | Very low | 105 Ų | 105 | 127.3 Ų | 127.3 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | trans | 82.9 | 132.4 | 144.4 | 84.6 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 158 | T | 35.8 | Very low | 39.5 | Very low | 117 Ų | 117 | 127.1 Ų | 127.1 | 72% | 0.718 | 77% | 0.771 | S | S | * | * | cis | -174.3 | 146.1 | 12.1 | 6.2 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 159 | T | 32.2 | Very low | 38.8 | Very low | 127 Ų | 127 | 126.7 Ų | 126.7 | 78% | 0.779 | 77% | 0.771 | S | S | * | * | trans | 55.5 | 99.1 | 136.5 | -39.9 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 160 | A | 31.6 | Very low | 37.9 | Very low | 77 Ų | 77 | 126.3 Ų | 126.3 | 64% | 0.636 | 77% | 0.769 | S | S | * | * | 110.4 | 151.4 | 76.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 161 | T | 34.2 | Very low | 37.7 | Very low | 125 Ų | 125 | 123.7 Ų | 123.7 | 77% | 0.767 | 77% | 0.766 | S | S | * | * | trans | 75.2 | 92.3 | 155.6 | -17.8 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 162 | A | 30.4 | Very low | 37.7 | Very low | 77 Ų | 77 | 122.6 Ų | 122.6 | 64% | 0.636 | 77% | 0.767 | S | S | * | * | 59.4 | 113.9 | 97.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 163 | H | 39.9 | Very low | 37.5 | Very low | 184 Ų | 184 | 119.2 Ų | 119.2 | 85% | 0.852 | 77% | 0.767 | S | S | * | * | -177.8 | 150.2 | 117.8 | -88.2 | -59.8 | 0 | 0 | 0 | 111.4 | |||||
| 164 | P | 39.8 | Very low | 37 | Very low | 126 Ų | 126 | 113.1 Ų | 113.1 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | -98.8 | 144.6 | -170.1 | 37 | -29.7 | 0 | 0 | 0 | 112.2 | ||||
| 165 | G | 31.4 | Very low | 37.3 | Very low | 69 Ų | 69 | 114.1 Ų | 114.1 | 71% | 0.711 | 76% | 0.761 | S | S | * | * | trans | 151.6 | 102 | 162.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 166 | L | 37.5 | Very low | 37.4 | Very low | 172 Ų | 172 | 112.3 Ų | 112.3 | 90% | 0.901 | 76% | 0.757 | S | S | * | * | 163.3 | 129.3 | 122.6 | -93 | 146.5 | 0 | 0 | 0 | 110.1 | |||||
| 167 | P | 34.8 | Very low | 38 | Very low | 128 Ų | 128 | 113.2 Ų | 113.2 | 83% | 0.831 | 76% | 0.76 | S | S | * | * | trans | -89.1 | 123 | 176.1 | 33.9 | -26.3 | 0 | 0 | 0 | 109.1 | ||||
| 168 | G | 34.2 | Very low | 38.7 | Very low | 80 Ų | 80 | 117 Ų | 117 | 83% | 0.825 | 76% | 0.76 | S | S | * | * | trans | 151.9 | 63.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 169 | S | 39.1 | Very low | 39 | Very low | 111 Ų | 111 | 117.2 Ų | 117.2 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | trans | -154.4 | 109.9 | 150.8 | 58.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 170 | V | 38.7 | Very low | 39.4 | Very low | 136 Ų | 136 | 117.3 Ų | 117.3 | 82% | 0.824 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 128.5 | 166.2 | -178.6 | 0 | 0 | 0 | 0 | 107.4 | ||
| 171 | P | 42.3 | Very low | 39.7 | Very low | 108 Ų | 108 | 118.4 Ų | 118.4 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 135.9 | -177.4 | 25.2 | -32.8 | 0 | 0 | 0 | 109.4 | A173 | P171-A173 PolarHBondContact O-N 3.24Š|
| 172 | P | 43.2 | Very low | 40 | Very low | 124 Ų | 124 | 117.4 Ų | 117.4 | 81% | 0.805 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 130.5 | 170.6 | 26.1 | -30.5 | 0 | 0 | 0 | 107.9 | A174 | P172-A174 PolarHBondContact O-N 2.79Å; P172-A174 VanDerWaalsContact O-N 3.14Å |
| 173 | A | 41.7 | Very low | 40.5 | Very low | 96 Ų | 96 | 122.8 Ų | 122.8 | 79% | 0.793 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -49.1 | 121.8 | 176 | 0 | 0 | 0 | 0 | 0 | 109.4 | P171 | P171-A173 PolarHBondContact O-N 3.24Š|
| 174 | A | 42.4 | Very low | 40.4 | Very low | 91 Ų | 91 | 119.3 Ų | 119.3 | 75% | 0.752 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 129.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109 | P172 | P172-A174 PolarHBondContact O-N 2.79Å; P172-A174 VanDerWaalsContact O-N 3.14Å |
| 175 | P | 46 | Very low | 40.1 | Very low | 113 Ų | 113 | 118.5 Ų | 118.5 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 146.6 | 176.2 | 26.2 | -31.8 | 0 | 0 | 0 | 110 | ||
| 176 | P | 39 | Very low | 40.7 | Very low | 99 Ų | 99 | 120.3 Ų | 120.3 | 64% | 0.643 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 146.2 | -176.8 | 26.3 | -33.8 | 0 | 0 | 0 | 111.4 | Y178 | P176-Y178 PolarHBondContact O-N 2.96Š|
| 177 | P | 47.4 | Very low | 40.7 | Very low | 112 Ų | 112 | 121.6 Ų | 121.6 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -79.6 | 25.2 | -169.3 | 32 | -35.1 | 0 | 0 | 0 | 114.8 | ||
| 178 | Y | 51.4 | Low | 41.1 | Very low | 185 Ų | 185 | 121.2 Ų | 121.2 | 73% | 0.725 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -133.2 | 132.7 | 176 | -57.2 | -73.1 | 0 | 0 | 0 | 110.6 | P176 V180 | P176-Y178 PolarHBondContact O-N 2.96Å; Y178-V180 PolarHBondContact O-N 3.13Å; Y178-V180 VanDerWaalsContact O-N 3.11Å |
| 179 | P | 41.4 | Very low | 41.3 | Very low | 122 Ų | 122 | 124.3 Ų | 124.3 | 79% | 0.792 | 75% | 0.745 | S | S | * | * | trans | -61.2 | 117.7 | 175.8 | 24.4 | -31.8 | 0 | 0 | 0 | 109.1 | P181 | P179-P181 VanDerWaalsContact O-CD 3.26Å; P179-P181 WeakPolarHBondContact O-CD 3.38Å | ||
| 180 | V | 41.4 | Very low | 41.3 | Very low | 128 Ų | 128 | 124.1 Ų | 124.1 | 78% | 0.776 | 74% | 0.741 | S | S | * | * | trans | -64.4 | 117.5 | 167.3 | -87 | 0 | 0 | 0 | 0 | 107.9 | Y178 S182 | Y178-V180 PolarHBondContact O-N 3.13Å; Y178-V180 VanDerWaalsContact O-N 3.11Å; V180-S182 PolarHBondContact O-N 3.06Å | ||
| 181 | P | 37.2 | Very low | 41.3 | Very low | 101 Ų | 101 | 126.4 Ų | 126.4 | 66% | 0.656 | 74% | 0.743 | S | S | * | * | trans | -66 | 110.6 | 175.3 | -15.5 | 29.7 | 0 | 0 | 0 | 107.7 | P179 F183 | P179-P181 VanDerWaalsContact O-CD 3.26Å; P179-P181 WeakPolarHBondContact O-CD 3.38Å; P181-F183 VanDerWaalsContact C-N 3.28Å; P181-F183 HydrophobicContact CB-CD2 4.37Å; P181-F183 HydrophobicContact CB-CE2 4.28Å; P181-F183 PolarHBondContact O-N 3.23Å | ||
| 182 | S | 40.9 | Very low | 40.9 | Very low | 104 Ų | 104 | 124.2 Ų | 124.2 | 73% | 0.727 | 74% | 0.739 | S | S | * | * | trans | -61.9 | 95.7 | 164.3 | 41.2 | 0 | 0 | 0 | 0 | 107.5 | V180 T184 | V180-S182 PolarHBondContact O-N 3.06Å; S182-T184 PolarHBondContact O-N 2.67Å | ||
| 183 | F | 40.5 | Very low | 40.5 | Very low | 189 Ų | 189 | 128.6 Ų | 128.6 | 83% | 0.829 | 74% | 0.741 | S | S | * | * | trans | -67.8 | 76 | 166.6 | -84.2 | -90.9 | 0 | 0 | 0 | 108.2 | P181 P185 | P181-F183 VanDerWaalsContact C-N 3.28Å; P181-F183 HydrophobicContact CB-CD2 4.37Å; P181-F183 HydrophobicContact CB-CE2 4.28Å; P181-F183 PolarHBondContact O-N 3.23Å; F183-P185 VanDerWaalsContact O-CD 3.25Å; F183-P185 WeakPolarHBondContact O-CD 3.24Å | ||
| 184 | T | 37.6 | Very low | 40.3 | Very low | 111 Ų | 111 | 129.6 Ų | 129.6 | 68% | 0.681 | 74% | 0.74 | S | S | * | * | trans | -80.6 | 107.4 | 155.1 | 51.1 | 0 | 0 | 0 | 0 | 105.8 | S182 | S182-T184 PolarHBondContact O-N 2.67Š| ||
| 185 | P | 33.6 | Very low | 40 | Very low | 109 Ų | 109 | 131.6 Ų | 131.6 | 71% | 0.708 | 74% | 0.743 | S | S | * | * | trans | -58.2 | 128.2 | 174 | 23.9 | -31.5 | 0 | 0 | 0 | 108.1 | F183 Y187 | F183-P185 VanDerWaalsContact O-CD 3.25Å; F183-P185 WeakPolarHBondContact O-CD 3.24Å; P185-Y187 PolarHBondContact O-N 2.97Å | ||
| 186 | P | 43.4 | Very low | 39.5 | Very low | 107 Ų | 107 | 131.8 Ų | 131.8 | 70% | 0.695 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -71.8 | 123.5 | 172.7 | 30.2 | -29.4 | 0 | 0 | 0 | 106.8 | ||
| 187 | Y | 38.8 | Very low | 39.6 | Very low | 200 Ų | 200 | 136 Ų | 136 | 78% | 0.784 | 76% | 0.755 | S | S | * | * | S | Bend | trans | 88.5 | 128.2 | 171.2 | -49.4 | -74 | 0 | 0 | 0 | 117.6 | P185 I189 | P185-Y187 PolarHBondContact O-N 2.97Å; Y187-I189 PolarHBondContact O-N 2.82Å |
| 188 | P | 42.6 | Very low | 38.9 | Very low | 119 Ų | 119 | 134.3 Ų | 134.3 | 77% | 0.773 | 75% | 0.75 | S | S | * | * | trans | -64.2 | 131.7 | 171.7 | -12.2 | 25.5 | 0 | 0 | 0 | 110.2 | P190 | P188-P190 WeakPolarHBondContact O-CD 3.3Š| ||
| 189 | I | 39.3 | Very low | 38 | Very low | 145 Ų | 145 | 137 Ų | 137 | 74% | 0.744 | 76% | 0.759 | S | S | * | * | trans | -69.1 | 111.5 | 171.6 | -57 | 176.4 | 0 | 0 | 0 | 108 | Y187 H191 | Y187-I189 PolarHBondContact O-N 2.82Å; I189-H191 PolarHBondContact O-N 3.31Å | ||
| 190 | P | 39.5 | Very low | 37.6 | Very low | 107 Ų | 107 | 142.6 Ų | 142.6 | 70% | 0.695 | 77% | 0.765 | S | S | * | * | trans | -76.9 | 115 | 173.8 | -12.1 | 31.5 | 0 | 0 | 0 | 108.3 | P188 G192 | P188-P190 WeakPolarHBondContact O-CD 3.3Å; P190-G192 PolarHBondContact O-N 2.78Å | ||
| 191 | H | 38.1 | Very low | 37 | Very low | 185 Ų | 185 | 140.4 Ų | 140.4 | 86% | 0.856 | 76% | 0.76 | S | S | * | * | trans | -61.5 | 119.3 | 171.8 | -69.1 | -76.6 | 0 | 0 | 0 | 110.1 | I189 | I189-H191 PolarHBondContact O-N 3.31Š| ||
| 192 | G | 33.3 | Very low | 36.8 | Very low | 61 Ų | 61 | 141.8 Ų | 141.8 | 63% | 0.629 | 77% | 0.77 | S | S | * | * | trans | 101.6 | 73.1 | 155.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | P190 | P190-G192 PolarHBondContact O-N 2.78Š| ||
| 193 | Y | 34.5 | Very low | 36.4 | Very low | 216 Ų | 216 | 140.1 Ų | 140.1 | 85% | 0.847 | 77% | 0.77 | S | S | * | * | trans | -130 | 124.6 | 144.9 | -70.9 | -77.4 | 0 | 0 | 0 | 110.1 | ||||
| 194 | P | 37.7 | Very low | 36 | Very low | 117 Ų | 117 | 139.8 Ų | 139.8 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 134.1 | 179.9 | 27.5 | -32.4 | 0 | 0 | 0 | 110.9 | ||
| 195 | V | 36.6 | Very low | 35.8 | Very low | 134 Ų | 134 | 137.7 Ų | 137.7 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 123.7 | 173.3 | -179.9 | 0 | 0 | 0 | 0 | 109.1 | Q197 | V195-Q197 PolarHBondContact O-N 3.11Š|
| 196 | P | 35.6 | Very low | 36 | Very low | 117 Ų | 117 | 140.4 Ų | 140.4 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -67 | 118.3 | 175 | -15.4 | 28.9 | 0 | 0 | 0 | 109.4 | A198 | P196-A198 PolarHBondContact O-N 2.72Š|
| 197 | Q | 39.9 | Very low | 35.5 | Very low | 188 Ų | 188 | 144.7 Ų | 144.7 | 88% | 0.879 | 80% | 0.795 | S | S | * | * | trans | -59.6 | 112.4 | 165.3 | -84.2 | 178.8 | -47.6 | 0 | 0 | 108.1 | V195 R199 | V195-Q197 PolarHBondContact O-N 3.11Å; Q197-R199 PolarHBondContact O-N 3.04Å | ||
| 198 | A | 34.5 | Very low | 35.4 | Very low | 76 Ų | 76 | 139.3 Ų | 139.3 | 63% | 0.628 | 79% | 0.792 | S | S | * | * | trans | -54.7 | 101.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109 | P196 W200 | P196-A198 PolarHBondContact O-N 2.72Å; A198-W200 VanDerWaalsContact C-N 3.33Å; A198-W200 PolarHBondContact O-N 3.15Å; A198-W200 VanDerWaalsContact O-N 3.08Å | ||
| 199 | R | 31 | Very low | 35.3 | Very low | 242 Ų | 242 | 139.5 Ų | 139.5 | 91% | 0.913 | 79% | 0.793 | S | S | * | * | trans | -73.8 | 94.3 | 165.7 | -73.3 | -172.9 | 175.9 | 173.3 | -0.4 | 106.6 | Q197 A201 | Q197-R199 PolarHBondContact O-N 3.04Å; R199-A201 VanDerWaalsContact C-N 3.34Å; R199-A201 PolarHBondContact O-N 3.26Å | ||
| 200 | W | 33.3 | Very low | 35.5 | Very low | 239 Ų | 239 | 139 Ų | 139 | 91% | 0.905 | 80% | 0.797 | S | S | * | * | trans | -63.5 | 102.2 | 162.3 | -68.6 | 91.3 | 0 | 0 | 0 | 107.6 | A198 | A198-W200 VanDerWaalsContact C-N 3.33Å; A198-W200 PolarHBondContact O-N 3.15Å; A198-W200 VanDerWaalsContact O-N 3.08Å | ||
| 201 | A | 28.7 | Very low | 35.2 | Very low | 82 Ų | 82 | 139.2 Ų | 139.2 | 68% | 0.678 | 80% | 0.798 | S | S | * | * | trans | -62.9 | 135.6 | 157.2 | 0 | 0 | 0 | 0 | 0 | 108 | R199 | R199-A201 VanDerWaalsContact C-N 3.34Å; R199-A201 PolarHBondContact O-N 3.26Å | ||
| 202 | C | 33.1 | Very low | 35.3 | Very low | 129 Ų | 129 | 136.3 Ų | 136.3 | 87% | 0.872 | 80% | 0.795 | S | S | * | * | trans | 140.7 | 105.6 | 148.3 | -68 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 203 | G | 32.3 | Very low | 35.4 | Very low | 70 Ų | 70 | 144.1 Ų | 144.1 | 72% | 0.722 | 81% | 0.808 | S | S | * | * | trans | 86.9 | 90.4 | 141.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 204 | L | 33.6 | Very low | 35.3 | Very low | 182 Ų | 182 | 139 Ų | 139 | 95% | 0.953 | 80% | 0.801 | S | S | * | * | trans | 41 | 112.9 | 131.7 | -60.4 | 169.4 | 0 | 0 | 0 | 119 | ||||
| 205 | G | 32.2 | Very low | 35.2 | Very low | 66 Ų | 66 | 139.3 Ų | 139.3 | 68% | 0.68 | 80% | 0.803 | S | S | * | * | S | Bend | trans | 115.1 | 100.6 | 144.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q207 | G205-Q207 PolarHBondContact O-N 3.46Š|
| 206 | N | 39 | Very low | 35.2 | Very low | 167 Ų | 167 | 143.1 Ų | 143.1 | 89% | 0.893 | 80% | 0.804 | S | S | * | * | trans | 27.3 | 76.2 | 152 | -61.7 | -14.5 | 0 | 0 | 0 | 116.1 | A208 | N206-A208 PolarHBondContact O-N 3.43Å; N206-A208 VanDerWaalsContact O-N 3.11Å | ||
| 207 | Q | 31.7 | Very low | 35.4 | Very low | 197 Ų | 197 | 143.6 Ų | 143.6 | 92% | 0.921 | 81% | 0.807 | S | S | * | * | trans | -68 | 109.6 | 159.5 | -79.4 | -172 | 9.1 | 0 | 0 | 108 | G205 | G205-Q207 PolarHBondContact O-N 3.46Š| ||
| 208 | A | 37.4 | Very low | 35.3 | Very low | 86 Ų | 86 | 140.9 Ų | 140.9 | 71% | 0.711 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 139 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | N206 V210 | N206-A208 PolarHBondContact O-N 3.43Å; N206-A208 VanDerWaalsContact O-N 3.11Å; A208-V210 PolarHBondContact O-N 2.97Å |
| 209 | P | 39.3 | Very low | 35.4 | Very low | 123 Ų | 123 | 142.3 Ų | 142.3 | 80% | 0.799 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 134.3 | -176.9 | 22.4 | -30.5 | 0 | 0 | 0 | 110.8 | ||
| 210 | V | 44.5 | Very low | 35.6 | Very low | 135 Ų | 135 | 138.3 Ų | 138.3 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 127.1 | 173.6 | -86.9 | 0 | 0 | 0 | 0 | 110.5 | A208 | A208-V210 PolarHBondContact O-N 2.97Š|
| 211 | P | 33.4 | Very low | 35.5 | Very low | 112 Ų | 112 | 132 Ų | 132 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 143.3 | -179.5 | 26.5 | -32.5 | 0 | 0 | 0 | 110.8 | ||
| 212 | P | 40.1 | Very low | 35.5 | Very low | 123 Ų | 123 | 140.2 Ų | 140.2 | 80% | 0.799 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -66 | 142 | 179.2 | 25.6 | -31.5 | 0 | 0 | 0 | 111.2 | ||
| 213 | Y | 35.4 | Very low | 35.5 | Very low | 225 Ų | 225 | 140.3 Ų | 140.3 | 88% | 0.882 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 139.4 | 179.2 | -70.7 | -87.4 | 0 | 0 | 0 | 111.8 | ||
| 214 | P | 32.8 | Very low | 35.4 | Very low | 108 Ų | 108 | 144.8 Ų | 144.8 | 70% | 0.701 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 142.9 | 178.5 | 27 | -33.2 | 0 | 0 | 0 | 110.9 | ||
| 215 | P | 35.5 | Very low | 35.4 | Very low | 124 Ų | 124 | 144.7 Ų | 144.7 | 81% | 0.805 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 139.2 | 179.4 | 26.4 | -32.2 | 0 | 0 | 0 | 111 | ||
| 216 | Y | 36 | Very low | 35.2 | Very low | 215 Ų | 215 | 148.6 Ų | 148.6 | 84% | 0.843 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 138.5 | 176.7 | -64.2 | -85.3 | 0 | 0 | 0 | 111 | V218 | Y216-V218 PolarHBondContact O-N 2.79Š|
| 217 | P | 39 | Very low | 35.1 | Very low | 127 Ų | 127 | 145.7 Ų | 145.7 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 122.7 | -179 | 23.6 | -31 | 0 | 0 | 0 | 110.5 | S219 | P217-S219 PolarHBondContact O-N 3.48Š|
| 218 | V | 39.3 | Very low | 35 | Very low | 130 Ų | 130 | 144.9 Ų | 144.9 | 79% | 0.788 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 126.4 | 175.7 | -165.8 | 0 | 0 | 0 | 0 | 108.3 | Y216 I220 | Y216-V218 PolarHBondContact O-N 2.79Å; V218-I220 PolarHBondContact O-N 3.46Å; V218-I220 VanDerWaalsContact O-N 3.12Å |
| 219 | S | 35.2 | Very low | 35 | Very low | 106 Ų | 106 | 150.4 Ų | 150.4 | 74% | 0.741 | 81% | 0.806 | S | S | * | * | trans | -55.5 | 113.5 | 178.7 | 44.6 | 0 | 0 | 0 | 0 | 111.1 | P217 P221 | P217-S219 PolarHBondContact O-N 3.48Å; S219-P221 WeakPolarHBondContact O-CD 3.3Å | ||
| 220 | I | 35.8 | Very low | 34.6 | Very low | 158 Ų | 158 | 152.6 Ų | 152.6 | 81% | 0.81 | 81% | 0.805 | S | S | * | * | trans | -67.8 | 123.1 | 175.7 | -58.1 | 169.5 | 0 | 0 | 0 | 108.2 | V218 R222 | V218-I220 PolarHBondContact O-N 3.46Å; V218-I220 VanDerWaalsContact O-N 3.12Å; I220-R222 PolarHBondContact O-N 2.71Å | ||
| 221 | P | 30.9 | Very low | 34.2 | Very low | 108 Ų | 108 | 151.1 Ų | 151.1 | 70% | 0.701 | 81% | 0.808 | S | S | * | * | trans | -65.1 | 128.5 | 177.7 | -19.2 | 31.7 | 0 | 0 | 0 | 111.2 | S219 T223 | S219-P221 WeakPolarHBondContact O-CD 3.3Å; P221-T223 PolarHBondContact O-N 3.2Å; P221-T223 VanDerWaalsContact O-N 3.08Å | ||
| 222 | R | 29.7 | Very low | 34.1 | Very low | 254 Ų | 254 | 153 Ų | 153 | 96% | 0.958 | 81% | 0.812 | S | S | * | * | trans | -70.4 | 96.9 | 176.8 | -131.3 | 176.6 | -177.6 | 160.5 | -0.6 | 109.1 | I220 | I220-R222 PolarHBondContact O-N 2.71Š| ||
| 223 | T | 33.4 | Very low | 33.9 | Very low | 130 Ų | 130 | 151.6 Ų | 151.6 | 80% | 0.798 | 81% | 0.805 | S | S | * | * | trans | -86.5 | 128.3 | 164.2 | 51.6 | 0 | 0 | 0 | 0 | 108.9 | P221 E225 | P221-T223 PolarHBondContact O-N 3.2Å; P221-T223 VanDerWaalsContact O-N 3.08Å; T223-E225 PolarHBondContact O-N 2.87Å; T223-E225 VanDerWaalsContact O-N 3.17Å | ||
| 224 | N | 30.4 | Very low | 34 | Very low | 165 Ų | 165 | 145.6 Ų | 145.6 | 88% | 0.882 | 80% | 0.801 | S | S | * | * | trans | -85.8 | 78.9 | -166.7 | -171.4 | 32.3 | 0 | 0 | 0 | 110.9 | ||||
| 225 | E | 33 | Very low | 34 | Very low | 180 Ų | 180 | 144.8 Ų | 144.8 | 84% | 0.841 | 80% | 0.799 | S | S | * | * | trans | -141.5 | 106.3 | 170.6 | -61.3 | -168.5 | 159.4 | 0 | 0 | 110.6 | T223 | T223-E225 PolarHBondContact O-N 2.87Å; T223-E225 VanDerWaalsContact O-N 3.17Å | ||
| 226 | N | 27 | Very low | 34 | Very low | 147 Ų | 147 | 144.6 Ų | 144.6 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | trans | -76.8 | 129.7 | 161.1 | -179 | 28 | 0 | 0 | 0 | 107.3 | Q228 | N226-Q228 PolarHBondContact OD1-N 2.79Š| ||
| 227 | P | 36.8 | Very low | 34.3 | Very low | 107 Ų | 107 | 142.8 Ų | 142.8 | 70% | 0.695 | 80% | 0.799 | S | S | * | * | -144.6 | 136.7 | 101.2 | 30.2 | -11.4 | 0 | 0 | 0 | 114.4 | F229 | P227-F229 PolarHBondContact O-N 2.82Š| |||
| 228 | Q | 30 | Very low | 34.1 | Very low | 180 Ų | 180 | 142.5 Ų | 142.5 | 84% | 0.841 | 80% | 0.797 | S | S | * | * | trans | 24 | 94.2 | 147.5 | -71.6 | -179.2 | -52 | 0 | 0 | 116.6 | N226 | N226-Q228 PolarHBondContact OD1-N 2.79Š| ||
| 229 | F | 37.2 | Very low | 34.3 | Very low | 202 Ų | 202 | 142.6 Ų | 142.6 | 89% | 0.886 | 79% | 0.792 | S | S | * | * | trans | -116.6 | 130.7 | 149.7 | -131 | -94.1 | 0 | 0 | 0 | 108.1 | P227 | P227-F229 PolarHBondContact O-N 2.82Š| ||
| 230 | E | 30.4 | Very low | 34.4 | Very low | 168 Ų | 168 | 142.4 Ų | 142.4 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | trans | -51.8 | 141.8 | -171.1 | -76.5 | 160.9 | 123.3 | 0 | 0 | 113.1 | D232 | E230-D232 PolarHBondContact O-N 2.88Š| ||
| 231 | A | 36.3 | Very low | 34.8 | Very low | 105 Ų | 105 | 144.1 Ų | 144.1 | 87% | 0.868 | 79% | 0.792 | S | S | * | * | trans | -67.2 | 76.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | S233 | A231-S233 VanDerWaalsContact C-N 3.28Å; A231-S233 PolarHBondContact O-N 3.07Å | ||
| 232 | D | 32.9 | Very low | 35.4 | Very low | 151 Ų | 151 | 146.5 Ų | 146.5 | 81% | 0.807 | 80% | 0.799 | S | S | * | * | trans | -73 | 91.8 | 164.7 | -101.5 | -13.3 | 0 | 0 | 0 | 108.3 | E230 A234 | E230-D232 PolarHBondContact O-N 2.88Å; D232-A234 PolarHBondContact O-N 3.37Å | ||
| 233 | S | 34.6 | Very low | 36.1 | Very low | 94 Ų | 94 | 136.9 Ų | 136.9 | 66% | 0.657 | 77% | 0.771 | S | S | * | * | trans | 31.5 | 70 | 134.8 | -169.1 | 0 | 0 | 0 | 0 | 115 | A231 S235 | A231-S233 VanDerWaalsContact C-N 3.28Å; A231-S233 PolarHBondContact O-N 3.07Å; S233-S235 PolarHBondContact O-N 2.81Å | ||
| 234 | A | 37.2 | Very low | 36.4 | Very low | 98 Ų | 98 | 136.7 Ų | 136.7 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | trans | -66.9 | 85.2 | 154.8 | 0 | 0 | 0 | 0 | 0 | 107.2 | D232 | D232-A234 PolarHBondContact O-N 3.37Š| ||
| 235 | S | 33.5 | Very low | 37.3 | Very low | 92 Ų | 92 | 136.1 Ų | 136.1 | 64% | 0.643 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -53 | 128.4 | 174.7 | -66 | 0 | 0 | 0 | 0 | 109 | S233 | S233-S235 PolarHBondContact O-N 2.81Š|
| 236 | P | 35.8 | Very low | 37.7 | Very low | 120 Ų | 120 | 133.3 Ų | 133.3 | 78% | 0.779 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 144.6 | 177 | -20.7 | 31.2 | 0 | 0 | 0 | 110.4 | ||
| 237 | M | 41.3 | Very low | 38.9 | Very low | 176 Ų | 176 | 137.8 Ų | 137.8 | 87% | 0.867 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -50.2 | 137.3 | -177.8 | -65.8 | -149.1 | -61.1 | 0 | 0 | 111.7 | I239 | M237-I239 PolarHBondContact O-N 3.39Š|
| 238 | P | 35.8 | Very low | 38.9 | Very low | 121 Ų | 121 | 142.3 Ų | 142.3 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 135.6 | 179.9 | 23.5 | -31.1 | 0 | 0 | 0 | 110.9 | ||
| 239 | I | 43.5 | Very low | 39.7 | Very low | 133 Ų | 133 | 145.3 Ų | 145.3 | 68% | 0.682 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 132.7 | 175.6 | -46.2 | 175.7 | 0 | 0 | 0 | 107.9 | M237 E241 S243 | M237-I239 PolarHBondContact O-N 3.39Å; I239-E241 PolarHBondContact O-N 2.95Å; I239-S243 WeakPolarHBondContact CG2-OG 3.42Å |
| 240 | P | 36.3 | Very low | 39.9 | Very low | 101 Ų | 101 | 143.1 Ų | 143.1 | 66% | 0.656 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -55 | 138.7 | 178 | -24.5 | 32.9 | 0 | 0 | 0 | 111.6 | N242 S243 | P240-N242 PolarHBondContact O-N 2.92Å; P240-S243 WeakPolarHBondContact O-CB 3.46Å; P240-S243 PolarHBondContact O-N 3.28Å; P240-S243 PolarHBondContact O-OG 3.26Å |
| 241 | E | 43.7 | Very low | 40.4 | Very low | 195 Ų | 195 | 139.3 Ų | 139.3 | 91% | 0.911 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.9 | -16.8 | -171.5 | -160.5 | 170.4 | -171.5 | 0 | 0 | 114.4 | I239 | I239-E241 PolarHBondContact O-N 2.95Š|
| 242 | N | 43.7 | Very low | 40.7 | Very low | 157 Ų | 157 | 142 Ų | 142 | 84% | 0.84 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.9 | 22.5 | 176.6 | -76 | -2.4 | 0 | 0 | 0 | 114.6 | P240 P244 | P240-N242 PolarHBondContact O-N 2.92Å; N242-P244 WeakPolarHBondContact O-CD 3.49Å |
| 243 | S | 44.4 | Very low | 40.9 | Very low | 52 Ų | 52 | 143.5 Ų | 143.5 | 36% | 0.364 | 77% | 0.77 | S | S | . | * | P | Polyproline II helix | trans | -71.2 | 122.6 | 171.8 | 35.6 | 0 | 0 | 0 | 0 | 110.4 | I239 P240 I245 | I239-S243 WeakPolarHBondContact CG2-OG 3.42Å; P240-S243 WeakPolarHBondContact O-CB 3.46Å; P240-S243 PolarHBondContact O-N 3.28Å; P240-S243 PolarHBondContact O-OG 3.26Å; S243-I245 PolarHBondContact O-N 3.22Å |
| 244 | P | 40.6 | Very low | 41.1 | Very low | 127 Ų | 127 | 148.8 Ų | 148.8 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 122 | -176.9 | -21.7 | 31.8 | 0 | 0 | 0 | 111.8 | N242 | N242-P244 WeakPolarHBondContact O-CD 3.49Š|
| 245 | I | 49.9 | Very low | 40.8 | Very low | 152 Ų | 152 | 148.7 Ų | 148.7 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 132.2 | 176.3 | -59.8 | 171.4 | 0 | 0 | 0 | 109.5 | S243 R247 | S243-I245 PolarHBondContact O-N 3.22Å; I245-R247 PolarHBondContact O-N 3.18Å |
| 246 | P | 41.6 | Very low | 40.9 | Very low | 121 Ų | 121 | 149.2 Ų | 149.2 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 116.6 | -179.3 | -16.5 | 28.8 | 0 | 0 | 0 | 111.4 | K248 | P246-K248 PolarHBondContact O-N 3.31Š|
| 247 | R | 51.3 | Low | 40.5 | Very low | 241 Ų | 241 | 146.9 Ų | 146.9 | 91% | 0.909 | 79% | 0.788 | S | S | * | * | trans | -79.4 | 112.3 | 170.4 | -67.9 | -175.9 | -175.6 | 166.1 | 2 | 109.1 | I245 R249 | I245-R247 PolarHBondContact O-N 3.18Å; R247-R249 PolarHBondContact O-N 2.91Å | ||
| 248 | K | 36.2 | Very low | 40 | Very low | 203 Ų | 203 | 146.9 Ų | 146.9 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | trans | -61.9 | 105.2 | 164.3 | -75.1 | -176.9 | 177.2 | 179.9 | 0 | 108.5 | P246 L250 | P246-K248 PolarHBondContact O-N 3.31Å; K248-L250 PolarHBondContact O-N 3.14Å | ||
| 249 | R | 47.8 | Very low | 39.6 | Very low | 243 Ų | 243 | 144.8 Ų | 144.8 | 92% | 0.917 | 79% | 0.79 | S | S | * | * | trans | -74 | 111.2 | 176 | -160.7 | 179.1 | -173.6 | -160.9 | 2.9 | 108.5 | R247 S251 | R247-R249 PolarHBondContact O-N 2.91Å; R249-S251 PolarHBondContact O-N 3.16Å | ||
| 250 | L | 41.6 | Very low | 39 | Very low | 155 Ų | 155 | 143.5 Ų | 143.5 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | trans | -62.7 | 121.5 | 166.9 | -95.8 | 91 | 0 | 0 | 0 | 108.6 | K248 L252 | K248-L250 PolarHBondContact O-N 3.14Å; L250-L252 PolarHBondContact O-N 2.74Å | ||
| 251 | S | 40.7 | Very low | 38.8 | Very low | 89 Ų | 89 | 143.3 Ų | 143.3 | 62% | 0.622 | 81% | 0.806 | S | S | * | * | trans | -60.9 | 93.3 | 170.2 | 167.5 | 0 | 0 | 0 | 0 | 110.2 | R249 F253 | R249-S251 PolarHBondContact O-N 3.16Å; S251-F253 PolarHBondContact O-N 3.42Å; S251-F253 VanDerWaalsContact O-N 3.16Å; S251-F253 WeakPolarHBondContact OG-CD2 3.45Å; S251-F253 VanDerWaalsContact OG-CE2 3.3Å; S251-F253 WeakPolarHBondContact OG-CE2 3.49Å | ||
| 252 | L | 42.2 | Very low | 38.2 | Very low | 160 Ų | 160 | 139.6 Ų | 139.6 | 84% | 0.838 | 81% | 0.809 | S | S | * | * | trans | -77.2 | 92.1 | 161.9 | -91.4 | 155.4 | 0 | 0 | 0 | 107.8 | L250 K254 | L250-L252 PolarHBondContact O-N 2.74Å; L252-K254 VanDerWaalsContact C-N 3.34Å; L252-K254 PolarHBondContact O-N 3.35Å | ||
| 253 | F | 37.9 | Very low | 37.5 | Very low | 184 Ų | 184 | 135.4 Ų | 135.4 | 81% | 0.807 | 80% | 0.803 | S | S | * | * | trans | -56 | 99.3 | 160.1 | -77.7 | -86.7 | 0 | 0 | 0 | 108.2 | S251 A255 | S251-F253 PolarHBondContact O-N 3.42Å; S251-F253 VanDerWaalsContact O-N 3.16Å; S251-F253 WeakPolarHBondContact OG-CD2 3.45Å; S251-F253 VanDerWaalsContact OG-CE2 3.3Å; S251-F253 WeakPolarHBondContact OG-CE2 3.49Å; F253-A255 PolarHBondContact O-N 2.96Å | ||
| 254 | K | 38.6 | Very low | 36.7 | Very low | 204 Ų | 204 | 142.1 Ų | 142.1 | 89% | 0.887 | 83% | 0.833 | S | S | * | * | trans | -74.8 | 85.8 | 158.1 | -86.4 | -171.7 | 175.5 | -177 | 0 | 107.6 | L252 A256 | L252-K254 VanDerWaalsContact C-N 3.34Å; L252-K254 PolarHBondContact O-N 3.35Å; K254-A256 PolarHBondContact O-N 3.34Å | ||
| 255 | A | 30.9 | Very low | 36.1 | Very low | 97 Ų | 97 | 138.4 Ų | 138.4 | 80% | 0.802 | 82% | 0.819 | S | S | * | * | trans | -74.9 | 105.8 | 157.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | F253 | F253-A255 PolarHBondContact O-N 2.96Š| ||
| 256 | A | 35.2 | Very low | 35.1 | Very low | 102 Ų | 102 | 136 Ų | 136 | 84% | 0.843 | 82% | 0.822 | S | S | * | * | trans | -163.2 | 111.9 | 154.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | K254 | K254-A256 PolarHBondContact O-N 3.34Š| ||
| 257 | G | 27.6 | Very low | 34.8 | Very low | 71 Ų | 71 | 140.9 Ų | 140.9 | 73% | 0.732 | 83% | 0.826 | S | S | * | * | trans | 96.3 | 81.2 | 137.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 258 | I | 30 | Very low | 33.8 | Very low | 177 Ų | 177 | 133.5 Ų | 133.5 | 91% | 0.908 | 82% | 0.816 | S | S | * | * | 33.9 | 106 | 125.3 | -51 | 172.9 | 0 | 0 | 0 | 116.7 | |||||
| 259 | G | 29 | Very low | 33.6 | Very low | 77 Ų | 77 | 132.2 Ų | 132.2 | 79% | 0.794 | 82% | 0.818 | S | S | * | * | trans | -156.1 | 77 | 160.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | A261 | G259-A261 PolarHBondContact O-N 3.33Š| ||
| 260 | A | 29 | Very low | 32.7 | Very low | 105 Ų | 105 | 123.5 Ų | 123.5 | 87% | 0.868 | 80% | 0.803 | S | S | * | * | trans | -71.2 | 113.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 261 | A | 33.6 | Very low | 32.2 | Very low | 97 Ų | 97 | 123.7 Ų | 123.7 | 80% | 0.802 | 80% | 0.8 | S | S | * | * | trans | -132 | 102.8 | 157.2 | 0 | 0 | 0 | 0 | 0 | 107.3 | G259 G263 | G259-A261 PolarHBondContact O-N 3.33Å; A261-G263 PolarHBondContact O-N 2.88Å | ||
| 262 | A | 30.9 | Very low | 31.8 | Very low | 117 Ų | 117 | 124.8 Ų | 124.8 | 97% | 0.967 | 80% | 0.798 | S | S | * | * | trans | -61.3 | 112.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 263 | G | 28.2 | Very low | 31.4 | Very low | 69 Ų | 69 | 121.5 Ų | 121.5 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | trans | -142.2 | 94.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | A261 G265 | A261-G263 PolarHBondContact O-N 2.88Å; G263-G265 PolarHBondContact O-N 3.01Å | ||
| 264 | L | 29 | Very low | 31.3 | Very low | 193 Ų | 193 | 119.5 Ų | 119.5 | 100% | 1.01 | 77% | 0.774 | S | S | * | * | trans | -60.8 | 90.9 | 166 | -73.9 | 163.5 | 0 | 0 | 0 | 108 | ||||
| 265 | G | 26.4 | Very low | 31.5 | Very low | 50 Ų | 50 | 115.3 Ų | 115.3 | 52% | 0.515 | 77% | 0.767 | S | S | . | * | trans | -124.8 | 77.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | G263 Y267 | G263-G265 PolarHBondContact O-N 3.01Å; G265-Y267 PolarHBondContact O-N 3.18Å | ||
| 266 | A | 28.8 | Very low | 32 | Very low | 102 Ų | 102 | 111.8 Ų | 111.8 | 84% | 0.843 | 74% | 0.74 | S | S | * | * | trans | -56.4 | 99.9 | 156.3 | 0 | 0 | 0 | 0 | 0 | 106 | A268 | A266-A268 PolarHBondContact O-N 3.3Š| ||
| 267 | Y | 35.7 | Very low | 32.6 | Very low | 223 Ų | 223 | 108.7 Ų | 108.7 | 88% | 0.875 | 71% | 0.709 | S | S | * | * | trans | -63.1 | 102.2 | 163.7 | -79.2 | -85.5 | 0 | 0 | 0 | 104.9 | G265 L269 | G265-Y267 PolarHBondContact O-N 3.18Å; Y267-L269 PolarHBondContact O-N 2.87Å | ||
| 268 | A | 30.8 | Very low | 33.5 | Very low | 85 Ų | 85 | 108.9 Ų | 108.9 | 70% | 0.702 | 70% | 0.704 | S | S | * | * | trans | -41.9 | 137.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | A266 G270 | A266-A268 PolarHBondContact O-N 3.3Å; A268-G270 PolarHBondContact O-N 3.36Å | ||
| 269 | L | 30.9 | Very low | 34.4 | Very low | 177 Ų | 177 | 104.5 Ų | 104.5 | 93% | 0.927 | 68% | 0.682 | S | S | * | * | trans | -57.4 | 75.1 | 152.1 | -80.7 | 105.1 | 0 | 0 | 0 | 107.3 | Y267 Q271 | Y267-L269 PolarHBondContact O-N 2.87Å; L269-Q271 PolarHBondContact O-N 2.94Å | ||
| 270 | G | 29.7 | Very low | 35.5 | Very low | 59 Ų | 59 | 101.4 Ų | 101.4 | 61% | 0.608 | 65% | 0.647 | S | S | * | * | trans | -70.4 | 90.5 | 163.6 | 0 | 0 | 0 | 0 | 0 | 104.3 | A268 L272 | A268-G270 PolarHBondContact O-N 3.36Å; G270-L272 PolarHBondContact O-N 2.89Å | ||
| 271 | Q | 30.5 | Very low | 36.5 | Very low | 159 Ų | 159 | 97.3 Ų | 97.3 | 74% | 0.743 | 62% | 0.615 | S | S | * | * | trans | -15.4 | 100.7 | 155.8 | -66.5 | 176.2 | -61 | 0 | 0 | 110.7 | L269 T273 | L269-Q271 PolarHBondContact O-N 2.94Å; Q271-T273 HydrophobicContact CB-CG2 3.86Å; Q271-T273 HydrophobicContact CG-CG2 4.41Å; Q271-T273 PolarHBondContact O-N 2.95Å; Q271-T273 PolarHBondContact O-OG1 3.46Å | ||
| 272 | L | 32.7 | Very low | 37.3 | Very low | 112 Ų | 112 | 99 Ų | 99 | 59% | 0.586 | 61% | 0.606 | S | S | * | * | trans | -68.6 | 55 | 150.3 | -102.6 | 139.9 | 0 | 0 | 0 | 107.2 | G270 Y274 | G270-L272 PolarHBondContact O-N 2.89Å; L272-Y274 HydrophobicContact CD2-CD2 3.7Å; L272-Y274 HydrophobicContact CD2-CE2 3.19Å; L272-Y274 PolarHBondContact O-N 3.11Å; L272-Y274 VanDerWaalsContact O-N 3.07Å | ||
| 273 | T | 33.2 | Very low | 38.1 | Very low | 92 Ų | 92 | 99.9 Ų | 99.9 | 56% | 0.564 | 59% | 0.59 | S | S | * | * | trans | -75.1 | 82.7 | 156.8 | 45.7 | 0 | 0 | 0 | 0 | 104 | Q271 P275 | Q271-T273 HydrophobicContact CB-CG2 3.86Å; Q271-T273 HydrophobicContact CG-CG2 4.41Å; Q271-T273 PolarHBondContact O-N 2.95Å; Q271-T273 PolarHBondContact O-OG1 3.46Å; T273-P275 WeakPolarHBondContact O-CD 3.39Å; T273-P275 VanDerWaalsContact O-N 3.17Å | ||
| 274 | Y | 37.2 | Very low | 38.9 | Very low | 142 Ų | 142 | 97.2 Ų | 97.2 | 56% | 0.557 | 56% | 0.559 | S | S | * | * | trans | -54.7 | 118.6 | 150.4 | -80.5 | -78.1 | 0 | 0 | 0 | 105.1 | L272 G276 | L272-Y274 HydrophobicContact CD2-CD2 3.7Å; L272-Y274 HydrophobicContact CD2-CE2 3.19Å; L272-Y274 PolarHBondContact O-N 3.11Å; L272-Y274 VanDerWaalsContact O-N 3.07Å; Y274-G276 PolarHBondContact O-N 3.29Å | ||
| 275 | P | 42.7 | Very low | 39.5 | Very low | 116 Ų | 116 | 92.1 Ų | 92.1 | 75% | 0.753 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -67.6 | 76.9 | 162.8 | 29.6 | -30.6 | 0 | 0 | 0 | 105.8 | T273 | T273-P275 WeakPolarHBondContact O-CD 3.39Å; T273-P275 VanDerWaalsContact O-N 3.17Å |
| 276 | G | 41.6 | Very low | 39.9 | Very low | 23 Ų | 23 | 96.8 Ų | 96.8 | 24% | 0.237 | 54% | 0.541 | C | S | . | . | trans | -136.9 | -22.9 | -150.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y274 A278 N279 F280 | Y274-G276 PolarHBondContact O-N 3.29Å; G276-A278 VanDerWaalsContact C-N 3.27Å; G276-A278 PolarHBondContact O-N 3.47Å; G276-N279 PolarHBondContact O-N 2.84Å; G276-F280 VanDerWaalsContact O-CB 3.27Å; G276-F280 WeakPolarHBondContact O-CB 3.46Å; G276-F280 PolarHBondContact O-N 2.91Å | ||
| 277 | I | 47 | Very low | 40.3 | Very low | 37 Ų | 37 | 94.1 Ų | 94.1 | 19% | 0.19 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -67.7 | -35.4 | 175.9 | -48.2 | 178.1 | 0 | 0 | 0 | 110.3 | I17 Q138 | I17-I277 HydrophobicContact CB-CG2 4.14Å; I17-I277 HydrophobicContact CD1-CG2 3.98Å; I17-I277 WeakPolarHBondContact CD1-O 3.39Å; I17-I277 HydrophobicContact CG2-CG2 3.94Å; Q138-I277 HydrophobicContact CB-CG2 3.54Å; Q138-I277 HydrophobicContact CG-CG2 3.92Å |
| 278 | A | 47.5 | Very low | 40.3 | Very low | 75 Ų | 75 | 93.4 Ų | 93.4 | 62% | 0.62 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -67.3 | -38.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | G276 | G276-A278 VanDerWaalsContact C-N 3.27Å; G276-A278 PolarHBondContact O-N 3.47Å |
| 279 | N | 47.2 | Very low | 40.2 | Very low | 84 Ų | 84 | 92.8 Ų | 92.8 | 45% | 0.449 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -93 | -6.3 | -177.2 | -66.5 | -8.8 | 0 | 0 | 0 | 113.3 | G276 G281 E282 H283 | G276-N279 PolarHBondContact O-N 2.84Å; N279-G281 VanDerWaalsContact C-N 3.33Å; N279-G281 PolarHBondContact O-N 2.82Å; N279-E282 PolarHBondContact O-N 2.92Å; N279-E282 VanDerWaalsContact O-N 3.07Å; N279-H283 PolarHBondContact O-N 3.09Å |
| 280 | F | 52 | Low | 40.3 | Very low | 12 Ų | 12 | 87.8 Ų | 87.8 | 5% | 0.053 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -61.3 | -41.5 | -179.4 | -179.2 | -112.8 | 0 | 0 | 0 | 112.7 | I17 L92 L94 A103 G276 E282 H283 I284 | I17-F280 HydrophobicContact CD1-CB 4.43Å; I17-F280 HydrophobicContact CD1-CD1 4.13Å; I17-F280 HydrophobicContact CG1-CD1 4.3Å; I17-F280 HydrophobicContact CG2-CD1 4.08Å; I17-F280 HydrophobicContact CG2-CE1 4.44Å; L92-F280 HydrophobicContact CB-CD1 4.39Å; L92-F280 HydrophobicContact CB-CD2 4.2Å; L92-F280 HydrophobicContact CB-CE1 3.71Å; L92-F280 HydrophobicContact CB-CE2 3.49Å; L92-F280 VanDerWaalsContact CB-CE2 3.49Å; L92-F280 HydrophobicContact CB-CZ 3.18Å; L92-F280 HydrophobicContact CD1-CD1 4.49Å; L92-F280 HydrophobicContact CD1-CD2 3.29Å; L92-F280 HydrophobicContact CD1-CE1 4.5Å; L92-F280 HydrophobicContact CD1-CE2 3.31Å; L92-F280 HydrophobicContact CD1-CG 3.9Å; L92-F280 HydrophobicContact CD1-CZ 3.94Å; L92-F280 HydrophobicContact CG-CD2 4.33Å; L92-F280 HydrophobicContact CG-CE2 4.01Å; L92-F280 HydrophobicContact CG-CZ 4.16Å; L94-F280 HydrophobicContact CB-CE1 3.91Å; A103-F280 HydrophobicContact CB-CE2 3.6Å; A103-F280 HydrophobicContact CB-CZ 3.76Å; G276-F280 VanDerWaalsContact O-CB 3.27Å; G276-F280 WeakPolarHBondContact O-CB 3.46Å; G276-F280 PolarHBondContact O-N 2.91Å; F280-E282 VanDerWaalsContact C-N 3.26Å; F280-E282 PolarHBondContact O-N 2.82Å; F280-H283 PolarHBondContact O-N 3.45Å; F280-I284 HydrophobicContact CD2-CD1 4.17Å; F280-I284 HydrophobicContact CD2-CG1 4.2Å; F280-I284 HydrophobicContact CE1-CD1 3.72Å; F280-I284 HydrophobicContact CE2-CD1 3.3Å; F280-I284 HydrophobicContact CE2-CG1 3.74Å; F280-I284 HydrophobicContact CZ-CD1 3.04Å; F280-I284 HydrophobicContact CZ-CG1 3.94Å; F280-I284 PolarHBondContact O-N 3.27Å; F280-I284 VanDerWaalsContact O-N 3.09Å |
| 281 | G | 50.1 | Low | 40.6 | Very low | 19 Ų | 19 | 93 Ų | 93 | 20% | 0.196 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -53.2 | -48.2 | 172 | 0 | 0 | 0 | 0 | 0 | 110.4 | N279 L285 | N279-G281 VanDerWaalsContact C-N 3.33Å; N279-G281 PolarHBondContact O-N 2.82Å; G281-L285 WeakPolarHBondContact O-CB 3.39Å; G281-L285 WeakPolarHBondContact O-CD1 3.15Å; G281-L285 WeakPolarHBondContact O-CG 3.41Å; G281-L285 PolarHBondContact O-N 3.39Å |
| 282 | E | 51.6 | Low | 40.5 | Very low | 133 Ų | 133 | 93.8 Ų | 93.8 | 62% | 0.621 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -68.3 | -46.8 | -179.9 | -61.8 | -168.7 | 154.2 | 0 | 0 | 113 | N279 F280 I284 L285 E286 | N279-E282 PolarHBondContact O-N 2.92Å; N279-E282 VanDerWaalsContact O-N 3.07Å; F280-E282 VanDerWaalsContact C-N 3.26Å; F280-E282 PolarHBondContact O-N 2.82Å; E282-I284 VanDerWaalsContact C-N 3.32Å; E282-I284 PolarHBondContact O-N 3Å; E282-L285 PolarHBondContact O-N 3.33Å; E282-L285 VanDerWaalsContact O-N 3.12Å; E282-E286 WeakPolarHBondContact O-CB 3.09Å; E282-E286 PolarHBondContact O-N 2.84Å |
| 283 | H | 48.2 | Very low | 40.4 | Very low | 136 Ų | 136 | 93 Ų | 93 | 63% | 0.63 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.2 | -30.5 | -175.8 | -121.2 | -76.7 | 0 | 0 | 0 | 113.4 | N279 F280 | N279-H283 PolarHBondContact O-N 3.09Å; F280-H283 PolarHBondContact O-N 3.45Å |
| 284 | I | 45.1 | Very low | 40.3 | Very low | 12 Ų | 12 | 95.3 Ų | 95.3 | 6% | 0.062 | 52% | 0.524 | C | S | . | . | H | α-helix | trans | -82.3 | -36 | 170.4 | -70.6 | -162.8 | 0 | 0 | 0 | 112 | K101 A103 F280 E282 E286 A287 | K101-I284 HydrophobicContact CB-CG2 4.4Å; K101-I284 HydrophobicContact CD-CG2 3.43Å; K101-I284 VanDerWaalsContact CD-CG2 3.43Å; A103-I284 HydrophobicContact CB-CD1 3.83Å; F280-I284 HydrophobicContact CD2-CD1 4.17Å; F280-I284 HydrophobicContact CD2-CG1 4.2Å; F280-I284 HydrophobicContact CE1-CD1 3.72Å; F280-I284 HydrophobicContact CE2-CD1 3.3Å; F280-I284 HydrophobicContact CE2-CG1 3.74Å; F280-I284 HydrophobicContact CZ-CD1 3.04Å; F280-I284 HydrophobicContact CZ-CG1 3.94Å; F280-I284 PolarHBondContact O-N 3.27Å; F280-I284 VanDerWaalsContact O-N 3.09Å; E282-I284 VanDerWaalsContact C-N 3.32Å; E282-I284 PolarHBondContact O-N 3Å; I284-E286 PolarHBondContact O-N 3Å; I284-A287 PolarHBondContact O-N 2.83Å |
| 285 | L | 41 | Very low | 40.2 | Very low | 87 Ų | 87 | 97.8 Ų | 97.8 | 46% | 0.455 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.1 | -31.4 | 175.9 | -73.5 | 168.6 | 0 | 0 | 0 | 111.7 | G281 E282 R288 | G281-L285 WeakPolarHBondContact O-CB 3.39Å; G281-L285 WeakPolarHBondContact O-CD1 3.15Å; G281-L285 WeakPolarHBondContact O-CG 3.41Å; G281-L285 PolarHBondContact O-N 3.39Å; E282-L285 PolarHBondContact O-N 3.33Å; E282-L285 VanDerWaalsContact O-N 3.12Å; L285-R288 WeakPolarHBondContact O-CB 3.42Å; L285-R288 PolarHBondContact O-N 3.34Å |
| 286 | E | 35.1 | Very low | 39.7 | Very low | 148 Ų | 148 | 100.1 Ų | 100.1 | 69% | 0.692 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -74.2 | -28.1 | 177.4 | -157.2 | 166.5 | -150 | 0 | 0 | 112.8 | E282 I284 R288 G289 | E282-E286 WeakPolarHBondContact O-CB 3.09Å; E282-E286 PolarHBondContact O-N 2.84Å; I284-E286 PolarHBondContact O-N 3Å; E286-R288 PolarHBondContact O-N 2.98Å; E286-G289 PolarHBondContact O-N 3.2Å; E286-G289 VanDerWaalsContact O-N 3.09Å |
| 287 | A | 36 | Very low | 39.2 | Very low | 46 Ų | 46 | 108.1 Ų | 108.1 | 38% | 0.38 | 57% | 0.573 | S | S | . | * | G | 310 helix | trans | -63.5 | -8.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114 | I284 G289 A290 | I284-A287 PolarHBondContact O-N 2.83Å; A287-G289 PolarHBondContact O-N 3.39Å; A287-A290 PolarHBondContact O-N 3.42Å |
| 288 | R | 35.4 | Very low | 38.5 | Very low | 208 Ų | 208 | 113.4 Ų | 113.4 | 79% | 0.785 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -57.6 | -14.6 | 166.7 | -77.3 | -175 | 151.9 | -172.5 | -3.9 | 113.7 | L285 E286 | L285-R288 WeakPolarHBondContact O-CB 3.42Å; L285-R288 PolarHBondContact O-N 3.34Å; E286-R288 PolarHBondContact O-N 2.98Å |
| 289 | G | 28.8 | Very low | 37.7 | Very low | 72 Ų | 72 | 119 Ų | 119 | 74% | 0.742 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -92.1 | -8.5 | 178 | 0 | 0 | 0 | 0 | 0 | 116.5 | E286 A287 | E286-G289 PolarHBondContact O-N 3.2Å; E286-G289 VanDerWaalsContact O-N 3.09Å; A287-G289 PolarHBondContact O-N 3.39Å |
| 290 | A | 33.8 | Very low | 36.9 | Very low | 72 Ų | 72 | 127.2 Ų | 127.2 | 60% | 0.595 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -134.9 | 62.7 | -167.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | A287 | A287-A290 PolarHBondContact O-N 3.42Š|
| 291 | H | 35.2 | Very low | 35.8 | Very low | 169 Ų | 169 | 129.2 Ų | 129.2 | 78% | 0.782 | 67% | 0.666 | S | S | * | * | trans | -163.8 | 61.2 | 153.2 | -103.6 | -74.2 | 0 | 0 | 0 | 109.2 | C293 | H291-C293 PolarHBondContact ND1-SG 3.17Å; H291-C293 PolarHBondContact O-N 3.12Å; H291-C293 VanDerWaalsContact O-N 3.09Å | ||
| 292 | Q | 28.7 | Very low | 35 | Very low | 174 Ų | 174 | 134 Ų | 134 | 81% | 0.813 | 70% | 0.696 | S | S | * | * | trans | -70.8 | 90 | 148.4 | -162.3 | 93.8 | 36.7 | 0 | 0 | 104.4 | D294 | Q292-D294 VanDerWaalsContact C-N 3.27Å; Q292-D294 PolarHBondContact O-N 3.27Å | ||
| 293 | C | 32.2 | Very low | 34.3 | Very low | 95 Ų | 95 | 132.9 Ų | 132.9 | 64% | 0.642 | 70% | 0.703 | S | S | * | * | trans | -65.9 | 98.8 | 167.2 | -69.6 | 0 | 0 | 0 | 0 | 106.1 | H291 E295 | H291-C293 PolarHBondContact ND1-SG 3.17Å; H291-C293 PolarHBondContact O-N 3.12Å; H291-C293 VanDerWaalsContact O-N 3.09Å; C293-E295 PolarHBondContact O-N 3.45Å | ||
| 294 | D | 31 | Very low | 33.6 | Very low | 141 Ų | 141 | 133.5 Ų | 133.5 | 75% | 0.754 | 71% | 0.711 | S | S | * | * | trans | -56.8 | 104.7 | 169.8 | -70.2 | -39.8 | 0 | 0 | 0 | 108.3 | Q292 E296 | Q292-D294 VanDerWaalsContact C-N 3.27Å; Q292-D294 PolarHBondContact O-N 3.27Å; D294-E296 PolarHBondContact O-N 3.08Å | ||
| 295 | E | 34.1 | Very low | 33.5 | Very low | 195 Ų | 195 | 138.2 Ų | 138.2 | 91% | 0.911 | 75% | 0.745 | S | S | * | * | trans | -67.9 | 71.1 | 163.7 | -74.3 | -176.8 | 143.2 | 0 | 0 | 108.7 | C293 | C293-E295 PolarHBondContact O-N 3.45Š| ||
| 296 | E | 31.3 | Very low | 33.2 | Very low | 165 Ų | 165 | 141 Ų | 141 | 77% | 0.771 | 76% | 0.76 | S | S | * | * | trans | -149.3 | 46.2 | 174.5 | -136.7 | -173.2 | -170.8 | 0 | 0 | 114.8 | D294 | D294-E296 PolarHBondContact O-N 3.08Š| ||
| 297 | H | 32.7 | Very low | 33.6 | Very low | 191 Ų | 191 | 139.2 Ų | 139.2 | 88% | 0.884 | 77% | 0.765 | S | S | * | * | trans | -143.1 | 57.6 | 160.7 | -77.8 | -54.8 | 0 | 0 | 0 | 113.8 | ||||
| 298 | T | 31.3 | Very low | 33.9 | Very low | 147 Ų | 147 | 140.9 Ų | 140.9 | 90% | 0.902 | 77% | 0.773 | S | S | * | * | trans | -113.4 | 71 | 156 | 24.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 299 | K | 31 | Very low | 34 | Very low | 192 Ų | 192 | 139.5 Ų | 139.5 | 84% | 0.835 | 78% | 0.776 | S | S | * | * | trans | -128.8 | 68.2 | 161.6 | -163.8 | 179 | -178.6 | -178.6 | 0 | 109.8 | ||||
| 300 | W | 30.8 | Very low | 34.7 | Very low | 258 Ų | 258 | 145.6 Ų | 145.6 | 98% | 0.977 | 79% | 0.785 | S | S | * | * | trans | -94.2 | 83.3 | 158.5 | -79.8 | 91.1 | 0 | 0 | 0 | 107.4 | ||||
| 301 | G | 28.3 | Very low | 35.2 | Very low | 54 Ų | 54 | 153.8 Ų | 153.8 | 56% | 0.557 | 82% | 0.819 | S | S | * | * | trans | -131.7 | 118.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 302 | S | 32.8 | Very low | 35.2 | Very low | 118 Ų | 118 | 153.1 Ų | 153.1 | 83% | 0.825 | 82% | 0.821 | S | S | * | * | trans | 74 | 102 | 163.4 | -54.9 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 303 | S | 37.4 | Very low | 35.6 | Very low | 111 Ų | 111 | 151.9 Ų | 151.9 | 78% | 0.776 | 82% | 0.821 | S | S | * | * | trans | -145 | 98.8 | 136.4 | 51.6 | 0 | 0 | 0 | 0 | 108 | ||||
| 304 | D | 34.2 | Very low | 35.8 | Very low | 148 Ų | 148 | 155.1 Ų | 155.1 | 79% | 0.791 | 83% | 0.831 | S | S | * | * | trans | -52 | 136.8 | 162.3 | -59.4 | -60.7 | 0 | 0 | 0 | 109.8 | ||||
| 305 | S | 41.5 | Very low | 36 | Very low | 111 Ų | 111 | 155.9 Ų | 155.9 | 78% | 0.776 | 84% | 0.836 | S | S | * | * | trans | -146 | 76.2 | 158.4 | -67.8 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 306 | D | 36.1 | Very low | 36.2 | Very low | 145 Ų | 145 | 153.5 Ų | 153.5 | 78% | 0.775 | 83% | 0.831 | S | S | * | * | trans | -57.3 | 124.1 | 149.4 | -173.7 | 13.9 | 0 | 0 | 0 | 108.2 | ||||
| 307 | S | 44 | Very low | 36.5 | Very low | 112 Ų | 112 | 152.7 Ų | 152.7 | 78% | 0.783 | 84% | 0.835 | S | S | * | * | trans | -145.1 | 97.4 | 164.2 | -47.4 | 0 | 0 | 0 | 0 | 107 | ||||
| 308 | S | 41.5 | Very low | 36.8 | Very low | 80 Ų | 80 | 150 Ų | 150 | 56% | 0.559 | 83% | 0.831 | S | S | * | * | trans | -65.8 | 151.5 | 172.5 | 52.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 309 | E | 37.4 | Very low | 37.2 | Very low | 179 Ų | 179 | 150.2 Ų | 150.2 | 84% | 0.836 | 83% | 0.826 | S | S | * | * | trans | 54.3 | 117.7 | 140.1 | -67.9 | 156.3 | 151 | 0 | 0 | 119.7 | ||||
| 310 | E | 44.4 | Very low | 37.7 | Very low | 200 Ų | 200 | 146.8 Ų | 146.8 | 94% | 0.935 | 83% | 0.825 | S | S | * | * | trans | -144.2 | 126.2 | 132.4 | -88.5 | -171.7 | 159.8 | 0 | 0 | 109.7 | ||||
| 311 | D | 44 | Very low | 38.3 | Very low | 245 Ų | 245 | 136.6 Ų | 136.6 | 100% | 1.31 | 81% | 0.811 | S | S | * | * | trans | -3 | 0 | 174.9 | -66.2 | -41.5 | 0 | 0 | 0 | 122.6 |
Retrieved 311 of 311 residues in 86.7 ms
(Link to these results)