| 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 | 31.5 | Very low | 43.3 | Very low | 244 Ų | 244 | 109.9 Ų | 109.9 | 100% | 1.202 | 66% | 0.659 | S | S | * | * | 0 | 122.2 | 0 | -77.4 | 174.8 | 177.1 | 0 | 0 | 106.8 | S3 | M1-S3 PolarHBondContact O-N 3.21Å; M1-S3 VanDerWaalsContact O-N 3.13Å | |||
| 2 | S | 35.5 | Very low | 45.9 | Very low | 115 Ų | 115 | 104.3 Ų | 104.3 | 80% | 0.804 | 63% | 0.628 | S | S | * | * | trans | -57.9 | 114.2 | 175.9 | -168.9 | 0 | 0 | 0 | 0 | 108.2 | M4 | S2-M4 VanDerWaalsContact C-N 3.33Å; S2-M4 PolarHBondContact O-N 2.86Å | ||
| 3 | S | 37.6 | Very low | 48.8 | Very low | 95 Ų | 95 | 97.7 Ų | 97.7 | 66% | 0.664 | 59% | 0.589 | S | S | * | * | trans | -66 | 97.9 | 173.5 | 46.7 | 0 | 0 | 0 | 0 | 107.6 | M1 N5 | M1-S3 PolarHBondContact O-N 3.21Å; M1-S3 VanDerWaalsContact O-N 3.13Å; S3-N5 PolarHBondContact O-N 3.25Å | ||
| 4 | M | 34.9 | Very low | 51.7 | Low | 170 Ų | 170 | 91.1 Ų | 91.1 | 84% | 0.837 | 55% | 0.549 | S | S | * | . | trans | -56.6 | 126.3 | 175.8 | -70.4 | 174.4 | 177.9 | 0 | 0 | 108.7 | S2 A6 | S2-M4 VanDerWaalsContact C-N 3.33Å; S2-M4 PolarHBondContact O-N 2.86Å; M4-A6 PolarHBondContact O-N 2.85Å; M4-A6 VanDerWaalsContact O-N 3.07Å | ||
| 5 | N | 38.3 | Very low | 54.2 | Low | 114 Ų | 114 | 88.5 Ų | 88.5 | 61% | 0.61 | 54% | 0.536 | S | S | * | . | trans | -41.6 | 114.9 | 165.9 | -74.8 | -26.4 | 0 | 0 | 0 | 109.2 | S3 T7 | S3-N5 PolarHBondContact O-N 3.25Å; N5-T7 HydrophobicContact CB-CG2 4.32Å; N5-T7 PolarHBondContact O-N 3.07Å | ||
| 6 | A | 38 | Very low | 56.6 | Low | 51 Ų | 51 | 84.6 Ų | 84.6 | 42% | 0.421 | 51% | 0.514 | S | S | . | . | trans | -74.9 | 82.9 | 157.9 | 0 | 0 | 0 | 0 | 0 | 106.9 | M4 R142 H145 | M4-A6 PolarHBondContact O-N 2.85Å; M4-A6 VanDerWaalsContact O-N 3.07Å; A6-R142 PolarHBondContact O-NH2 3.01Å; A6-H145 WeakPolarHBondContact CB-CE1 3.29Å; A6-H145 WeakPolarHBondContact CB-NE2 3.38Å; A6-H145 PolarHBondContact N-CE1 2.95Å | ||
| 7 | T | 40.8 | Very low | 58.8 | Low | 26 Ų | 26 | 79.6 Ų | 79.6 | 16% | 0.16 | 48% | 0.484 | C | S | . | . | trans | -98.3 | 118.9 | 153.4 | 37.8 | 0 | 0 | 0 | 0 | 104.3 | N5 D9 G10 V11 | N5-T7 HydrophobicContact CB-CG2 4.32Å; N5-T7 PolarHBondContact O-N 3.07Å; T7-D9 VanDerWaalsContact C-N 3.28Å; T7-D9 PolarHBondContact O-N 3.13Å; T7-G10 PolarHBondContact O-N 2.91Å; T7-G10 VanDerWaalsContact OG1-C 3.28Å; T7-G10 WeakPolarHBondContact OG1-CA 3.25Å; T7-G10 PolarHBondContact OG1-N 3.32Å; T7-V11 WeakPolarHBondContact CB-O 3Å; T7-V11 VanDerWaalsContact CG2-O 3.23Å; T7-V11 WeakPolarHBondContact CG2-O 3.22Å | ||
| 8 | V | 45.5 | Very low | 60.7 | Low | 115 Ų | 115 | 76.5 Ų | 76.5 | 70% | 0.697 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | 101.9 | 165.4 | -176.6 | 0 | 0 | 0 | 0 | 104.9 | K44 | V8-K44 PolarHBondContact O-NZ 3.01Š|
| 9 | D | 48.1 | Very low | 62.5 | Low | 127 Ų | 127 | 72.5 Ų | 72.5 | 68% | 0.679 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84 | 21.9 | -176.3 | -40 | -46.2 | 0 | 0 | 0 | 118.6 | T7 V11 K44 | T7-D9 VanDerWaalsContact C-N 3.28Å; T7-D9 PolarHBondContact O-N 3.13Å; D9-V11 PolarHBondContact O-N 3.23Å; D9-K44 IonicContact OD2-NZ 2.85Å; D9-K44 PolarHBondContact OD2-NZ 3.5Å |
| 10 | G | 56.5 | Low | 64.1 | Low | 60 Ų | 60 | 72.1 Ų | 72.1 | 62% | 0.619 | 43% | 0.434 | S | S | * | . | S | Bend | trans | 79.4 | -14.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | T7 | T7-G10 PolarHBondContact O-N 2.91Å; T7-G10 VanDerWaalsContact OG1-C 3.28Å; T7-G10 WeakPolarHBondContact OG1-CA 3.25Å; T7-G10 PolarHBondContact OG1-N 3.32Å |
| 11 | V | 69.2 | Low | 65.7 | Low | 92 Ų | 92 | 70 Ų | 70 | 56% | 0.558 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -94.7 | 132.7 | -177.3 | -175.4 | 0 | 0 | 0 | 0 | 111.4 | T7 D9 | T7-V11 WeakPolarHBondContact CB-O 3Å; T7-V11 VanDerWaalsContact CG2-O 3.23Å; T7-V11 WeakPolarHBondContact CG2-O 3.22Å; D9-V11 PolarHBondContact O-N 3.23Å |
| 12 | C | 75.4 | Confident | 68.8 | Low | 43 Ų | 43 | 63.2 Ų | 63.2 | 29% | 0.291 | 39% | 0.388 | S | S | . | . | trans | -58.8 | 125.4 | 172.3 | -174.4 | 0 | 0 | 0 | 0 | 110 | I14 | C12-I14 PolarHBondContact O-N 3.49Š| ||
| 13 | P | 83.4 | Confident | 71.7 | Confident | 18 Ų | 18 | 62.4 Ų | 62.4 | 12% | 0.117 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -71.5 | -17.1 | -179.4 | 28.7 | -34.8 | 0 | 0 | 0 | 113.2 | L42 N43 K44 L46 | P13-L42 WeakPolarHBondContact O-CA 3.36Å; P13-N43 PolarHBondContact O-N 3.3Å; P13-K44 HydrophobicContact CB-CB 4.27Å; P13-L46 HydrophobicContact CG-CD1 3.86Å |
| 14 | I | 88.5 | Confident | 74.2 | Confident | 6 Ų | 6 | 67.3 Ų | 67.3 | 3% | 0.031 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 126.5 | -177 | -59.6 | 177.1 | 0 | 0 | 0 | 109.3 | C12 C16 F17 L42 L46 I140 Y148 P368 | C12-I14 PolarHBondContact O-N 3.49Å; I14-C16 VanDerWaalsContact CG2-O 3.29Å; I14-C16 WeakPolarHBondContact CG2-O 3.02Å; I14-F17 HydrophobicContact CG2-CB 3.91Å; I14-L42 HydrophobicContact CB-CD2 4.31Å; I14-L42 HydrophobicContact CG1-CD2 3.59Å; I14-L46 HydrophobicContact CD1-CD2 3.88Å; I14-L46 HydrophobicContact CG1-CD2 4.05Å; I14-I140 HydrophobicContact CD1-CD1 4.05Å; I14-Y148 HydrophobicContact CD1-CD2 3.16Å; I14-Y148 HydrophobicContact CD1-CE2 3.36Å; I14-Y148 HydrophobicContact CD1-CG 3.78Å; I14-Y148 HydrophobicContact CG1-CD2 4.39Å; I14-Y148 HydrophobicContact CG1-CE2 4.17Å; I14-P368 HydrophobicContact CB-CB 4.14Å; I14-P368 HydrophobicContact CB-CG 4.21Å; I14-P368 HydrophobicContact CD1-CB 4.22Å; I14-P368 HydrophobicContact CD1-CG 3.81Å; I14-P368 HydrophobicContact CG2-CB 4.28Å; I14-P368 HydrophobicContact CG2-CG 3.92Å |
| 15 | S | 90.3 | Very high | 76.9 | Confident | 51 Ų | 51 | 63.3 Ų | 63.3 | 36% | 0.357 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | -25.3 | 170.4 | 53.6 | 0 | 0 | 0 | 0 | 113 | T41 N43 | S15-T41 PolarHBondContact N-O 3.49Å; S15-T41 WeakPolarHBondContact OG-CB 3.47Å; S15-T41 VanDerWaalsContact OG-CG2 3.25Å; S15-T41 WeakPolarHBondContact OG-CG2 3.43Å; S15-T41 PolarHBondContact OG-O 3.06Å; S15-N43 PolarHBondContact OG-OD1 2.79Å |
| 16 | C | 92 | Very high | 79.7 | Confident | 26 Ų | 26 | 58.6 Ų | 58.6 | 18% | 0.176 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 134.1 | 174.9 | -175.5 | 0 | 0 | 0 | 0 | 110.1 | I14 I40 T41 | I14-C16 VanDerWaalsContact CG2-O 3.29Å; I14-C16 WeakPolarHBondContact CG2-O 3.02Å; C16-I40 WeakPolarHBondContact O-CA 3.23Å; C16-T41 PolarHBondContact N-O 2.95Å; C16-T41 PolarHBondContact O-N 3.36Å |
| 17 | F | 93.5 | Very high | 82.5 | Confident | 1 Ų | 1 | 56.7 Ų | 56.7 | 0% | 0.004 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 106.7 | 169.4 | -178.9 | -146.1 | 0 | 0 | 0 | 109.1 | I14 V38 K39 I40 L51 A138 I140 T150 P368 | I14-F17 HydrophobicContact CG2-CB 3.91Å; F17-V38 HydrophobicContact CD2-CG1 4.25Å; F17-V38 HydrophobicContact CE2-CG1 3.75Å; F17-K39 WeakPolarHBondContact CA-O 3.15Å; F17-I40 HydrophobicContact CD2-CG1 4.02Å; F17-I40 HydrophobicContact CE2-CG1 4.34Å; F17-L51 HydrophobicContact CE2-CD1 4.39Å; F17-A138 HydrophobicContact CE2-CB 3.75Å; F17-A138 HydrophobicContact CZ-CB 3.59Å; F17-A138 WeakPolarHBondContact CZ-O 3.45Å; F17-I140 HydrophobicContact CD1-CD1 4.36Å; F17-I140 HydrophobicContact CD2-CD1 4.04Å; F17-I140 HydrophobicContact CE1-CD1 4.12Å; F17-I140 HydrophobicContact CE1-CG1 4.26Å; F17-I140 HydrophobicContact CE2-CD1 3.77Å; F17-I140 HydrophobicContact CE2-CG1 4.01Å; F17-I140 HydrophobicContact CG-CD1 4.32Å; F17-I140 HydrophobicContact CZ-CD1 3.81Å; F17-I140 HydrophobicContact CZ-CG1 3.73Å; F17-T150 HydrophobicContact CD1-CG2 3.67Å; F17-T150 HydrophobicContact CD2-CG2 3.77Å; F17-T150 HydrophobicContact CE1-CG2 3.65Å; F17-T150 HydrophobicContact CE2-CG2 3.75Å; F17-T150 HydrophobicContact CG-CG2 3.75Å; F17-T150 HydrophobicContact CZ-CG2 3.69Å; F17-T150 WeakPolarHBondContact O-CB 3.41Å; F17-T150 PolarHBondContact O-OG1 2.76Å; F17-T150 VanDerWaalsContact O-OG1 3.1Å; F17-P368 HydrophobicContact CB-CG 3.97Å; F17-P368 HydrophobicContact CD1-CG 3.97Å; F17-P368 HydrophobicContact CG-CG 4.43Å |
| 18 | D | 93.4 | Very high | 85.2 | Confident | 23 Ų | 23 | 55.5 Ų | 55.5 | 12% | 0.123 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 158.2 | -174.6 | -156.6 | 2.4 | 0 | 0 | 0 | 111.8 | L20 K39 R152 | D18-L20 HydrophobicContact CB-CD2 4.46Å; D18-K39 PolarHBondContact N-O 2.78Å; D18-K39 PolarHBondContact O-N 3.07Å; D18-R152 IonicContact OD1-NH1 2.8Å; D18-R152 IonicContact OD2-NH1 3.7Å |
| 19 | V | 94.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 119 | 172.4 | 171.5 | 0 | 0 | 0 | 0 | 107.9 | F21 Y113 C136 A138 T150 R152 | V19-F21 HydrophobicContact CG1-CE1 4.18Å; V19-F21 HydrophobicContact CG1-CZ 4.26Å; V19-Y113 HydrophobicContact CG1-CE1 4.04Å; V19-Y113 WeakPolarHBondContact CG1-OH 3.44Å; V19-C136 HydrophobicContact CG1-CB 4.03Å; V19-A138 HydrophobicContact CG2-CB 3.61Å; V19-T150 HydrophobicContact CG2-CG2 4.12Å; V19-R152 HydrophobicContact CB-CB 3.76Å; V19-R152 HydrophobicContact CG1-CB 3.99Å |
| 20 | L | 95.6 | Very high | 89.9 | Confident | 64 Ų | 64 | 45.7 Ų | 45.7 | 34% | 0.335 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 126.7 | -179.3 | -53.2 | -179 | 0 | 0 | 0 | 109.5 | D18 G36 N37 K39 L110 Y113 | D18-L20 HydrophobicContact CB-CD2 4.46Å; L20-G36 CarbonylContact O-C 3.52Å; L20-G36 WeakPolarHBondContact O-CA 3.43Å; L20-N37 WeakPolarHBondContact CB-O 3.49Å; L20-N37 PolarHBondContact N-O 2.86Å; L20-N37 PolarHBondContact O-N 3.37Å; L20-K39 HydrophobicContact CD1-CB 3.8Å; L20-K39 HydrophobicContact CD1-CD 4.03Å; L20-K39 HydrophobicContact CG-CB 4.11Å; L20-L110 HydrophobicContact CD1-CD2 4.31Å; L20-Y113 PolarHBondContact O-OH 2.84Å; L20-Y113 VanDerWaalsContact O-OH 3.07Å |
| 21 | F | 97.4 | Very high | 91.8 | Very high | 30 Ų | 30 | 47.9 Ų | 47.9 | 13% | 0.132 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 142.6 | 171.3 | -60.8 | -61.3 | 0 | 0 | 0 | 110.4 | V19 R23 A26 V34 Y113 C136 R152 P153 F154 | V19-F21 HydrophobicContact CG1-CE1 4.18Å; V19-F21 HydrophobicContact CG1-CZ 4.26Å; F21-R23 VanDerWaalsContact C-N 3.3Å; F21-R23 PolarHBondContact O-N 2.85Å; F21-A26 HydrophobicContact CB-CB 4.26Å; F21-A26 HydrophobicContact CD2-CB 3.48Å; F21-A26 VanDerWaalsContact CD2-CB 3.48Å; F21-A26 HydrophobicContact CE2-CB 4.09Å; F21-A26 HydrophobicContact CG-CB 4.08Å; F21-V34 HydrophobicContact CD1-CG1 3.81Å; F21-V34 HydrophobicContact CE1-CG1 3.73Å; F21-Y113 WeakPolarHBondContact CD1-OH 3.46Å; F21-Y113 WeakPolarHBondContact CE1-OH 3.2Å; F21-C136 HydrophobicContact CE1-CB 4.2Å; F21-C136 HydrophobicContact CZ-CB 4.22Å; F21-R152 HydrophobicContact CD2-CG 3.94Å; F21-R152 HydrophobicContact CE2-CB 3.75Å; F21-R152 HydrophobicContact CE2-CG 3.28Å; F21-R152 HydrophobicContact CZ-CB 3.92Å; F21-R152 HydrophobicContact CZ-CG 3.99Å; F21-R152 WeakPolarHBondContact CZ-O 3.36Å; F21-P153 WeakPolarHBondContact CE2-O 3.43Å; F21-F154 HydrophobicContact CD2-CB 4.46Å; F21-F154 HydrophobicContact CE1-CD1 4.06Å; F21-F154 HydrophobicContact CE2-CB 3.87Å; F21-F154 HydrophobicContact CE2-CD1 4.41Å; F21-F154 HydrophobicContact CZ-CB 3.94Å; F21-F154 AromaticContact CZ-CD1 3.66Å; F21-F154 HydrophobicContact CZ-CD1 3.66Å; F21-F154 HydrophobicContact CZ-CG 4.22Å |
| 22 | D | 96.8 | Very high | 93.2 | Very high | 101 Ų | 101 | 44.9 Ų | 44.9 | 54% | 0.54 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -71.7 | -26.9 | 178.4 | -70.5 | -13.7 | 0 | 0 | 0 | 112.3 | E35 G36 | D22-E35 PolarHBondContact N-O 2.86Å; D22-G36 WeakPolarHBondContact OD1-CA 3.23Å |
| 23 | R | 95.2 | Very high | 94.2 | Very high | 98 Ų | 98 | 46.5 Ų | 46.5 | 37% | 0.37 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -82.7 | 122.3 | 174.6 | -62.4 | -172.8 | -174.4 | -175.3 | 4 | 110 | F21 L25 A26 L27 Y28 D32 | F21-R23 VanDerWaalsContact C-N 3.3Å; F21-R23 PolarHBondContact O-N 2.85Å; R23-L25 VanDerWaalsContact C-N 3.3Å; R23-L25 PolarHBondContact O-N 2.95Å; R23-A26 WeakPolarHBondContact O-CA 3.01Å; R23-A26 PolarHBondContact O-N 3.26Å; R23-L27 WeakPolarHBondContact CD-O 3.42Å; R23-L27 PolarHBondContact NH1-O 3.21Å; R23-Y28 VanDerWaalsContact CD-CE1 3.49Å; R23-Y28 HydrophobicContact CG-CE1 4.07Å; R23-D32 IonicContact CZ-OD2 3.61Å; R23-D32 IonicContact NH1-OD2 2.76Å; R23-D32 PolarHBondContact NH1-OD2 2.93Å; R23-D32 IonicContact NH2-OD2 3.39Å; R23-D32 PolarHBondContact NH2-OD2 2.89Å; R23-D32 VanDerWaalsContact NH2-OD2 3.08Å |
| 24 | E | 90.1 | Very high | 94.9 | Very high | 197 Ų | 197 | 45.6 Ų | 45.6 | 92% | 0.921 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -41.9 | -178 | -173.8 | 178.1 | -174.9 | 0 | 0 | 113.7 | A26 | E24-A26 VanDerWaalsContact C-N 3.32Š|
| 25 | L | 92.6 | Very high | 95.3 | Very high | 87 Ų | 87 | 50 Ų | 50 | 46% | 0.455 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -3.9 | 178.1 | -65.7 | 179.1 | 0 | 0 | 0 | 114.1 | R23 L27 | R23-L25 VanDerWaalsContact C-N 3.3Å; R23-L25 PolarHBondContact O-N 2.95Å; L25-L27 HydrophobicContact CB-CB 4.06Å; L25-L27 PolarHBondContact O-N 3.43Å |
| 26 | A | 96.1 | Very high | 95.7 | Very high | 15 Ų | 15 | 47.6 Ų | 47.6 | 12% | 0.124 | 24% | 0.236 | C | C | . | . | trans | 45.6 | 44 | -168.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | F21 R23 E24 Y28 F154 T155 | F21-A26 HydrophobicContact CB-CB 4.26Å; F21-A26 HydrophobicContact CD2-CB 3.48Å; F21-A26 VanDerWaalsContact CD2-CB 3.48Å; F21-A26 HydrophobicContact CE2-CB 4.09Å; F21-A26 HydrophobicContact CG-CB 4.08Å; R23-A26 WeakPolarHBondContact O-CA 3.01Å; R23-A26 PolarHBondContact O-N 3.26Å; E24-A26 VanDerWaalsContact C-N 3.32Å; A26-Y28 HydrophobicContact CB-CE2 4.44Å; A26-F154 HydrophobicContact CB-CB 3.93Å; A26-F154 WeakPolarHBondContact O-CB 3.3Å; A26-T155 PolarHBondContact O-N 2.91Å | ||
| 27 | L | 97.5 | Very high | 95.9 | Very high | 11 Ų | 11 | 48.3 Ų | 48.3 | 6% | 0.058 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 127.8 | -176.9 | 172.7 | 65.5 | 0 | 0 | 0 | 110.6 | R23 L25 T155 L157 Y352 | R23-L27 WeakPolarHBondContact CD-O 3.42Å; R23-L27 PolarHBondContact NH1-O 3.21Å; L25-L27 HydrophobicContact CB-CB 4.06Å; L25-L27 PolarHBondContact O-N 3.43Å; L27-T155 CarbonylContact C-O 3.58Å; L27-T155 WeakPolarHBondContact CA-O 3.26Å; L27-T155 HydrophobicContact CD1-CG2 3.69Å; L27-L157 HydrophobicContact CD1-CB 4.44Å; L27-L157 HydrophobicContact CD1-CD1 3.65Å; L27-L157 HydrophobicContact CD1-CG 3.66Å; L27-L157 HydrophobicContact CD2-CD1 4.44Å; L27-Y352 HydrophobicContact CD2-CD1 3.42Å; L27-Y352 VanDerWaalsContact CD2-CD1 3.42Å; L27-Y352 HydrophobicContact CD2-CD2 3.7Å; L27-Y352 HydrophobicContact CD2-CE1 3.49Å; L27-Y352 VanDerWaalsContact CD2-CE1 3.49Å; L27-Y352 HydrophobicContact CD2-CE2 3.75Å; L27-Y352 HydrophobicContact CD2-CG 3.53Å |
| 28 | Y | 97.7 | Very high | 96.1 | Very high | 1 Ų | 1 | 48.2 Ų | 48.2 | 0% | 0.004 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 160.9 | -176.1 | -58.9 | -89.7 | 0 | 0 | 0 | 112 | R23 A26 D32 D33 V34 L117 F154 T155 V156 L157 | R23-Y28 VanDerWaalsContact CD-CE1 3.49Å; R23-Y28 HydrophobicContact CG-CE1 4.07Å; A26-Y28 HydrophobicContact CB-CE2 4.44Å; Y28-D32 HydrophobicContact CD1-CB 4.17Å; Y28-D33 WeakPolarHBondContact CE1-O 3.37Å; Y28-V34 HydrophobicContact CD1-CG2 3.8Å; Y28-V34 HydrophobicContact CD2-CG2 4.18Å; Y28-V34 HydrophobicContact CE1-CB 4.2Å; Y28-V34 HydrophobicContact CE1-CG1 4.32Å; Y28-V34 HydrophobicContact CE1-CG2 3.93Å; Y28-V34 HydrophobicContact CE2-CG1 4.23Å; Y28-V34 HydrophobicContact CE2-CG2 4.29Å; Y28-V34 HydrophobicContact CG-CG2 3.94Å; Y28-L117 HydrophobicContact CG-CD1 4.36Å; Y28-F154 HydrophobicContact CD2-CB 4.15Å; Y28-F154 AromaticContact CD2-CD2 3.7Å; Y28-F154 HydrophobicContact CD2-CD2 3.7Å; Y28-F154 HydrophobicContact CD2-CE2 4.44Å; Y28-F154 HydrophobicContact CD2-CG 4.19Å; Y28-F154 HydrophobicContact CE2-CB 4.11Å; Y28-F154 HydrophobicContact CE2-CD2 4.29Å; Y28-F154 HydrophobicContact CE2-CG 4.36Å; Y28-F154 HydrophobicContact CG-CD2 4.49Å; Y28-T155 PolarHBondContact N-O 2.97Å; Y28-V156 CarbonylContact O-C 3.52Å; Y28-V156 VanDerWaalsContact O-CA 3.28Å; Y28-V156 WeakPolarHBondContact O-CA 3.44Å; Y28-L157 PolarHBondContact O-N 2.92Å |
| 29 | F | 96.7 | Very high | 96.2 | Very high | 25 Ų | 25 | 49.6 Ų | 49.6 | 11% | 0.11 | 24% | 0.242 | C | C | . | . | trans | -114 | 161.4 | 171 | -64.5 | -87 | 0 | 0 | 0 | 110.2 | E31 D32 L117 L157 R159 L325 Y352 | F29-E31 PolarHBondContact O-N 2.7Å; F29-D32 PolarHBondContact N-OD2 3.21Å; F29-D32 VanDerWaalsContact O-CB 3.24Å; F29-D32 WeakPolarHBondContact O-CB 3.42Å; F29-D32 PolarHBondContact O-N 3.14Å; F29-L117 WeakPolarHBondContact O-CD1 3.35Å; F29-L157 HydrophobicContact CD1-CB 4.25Å; F29-L157 WeakPolarHBondContact CD1-O 3.25Å; F29-L157 HydrophobicContact CE1-CB 3.89Å; F29-R159 VanDerWaalsContact CB-NH2 3.3Å; F29-R159 HydrophobicContact CD1-CG 3.87Å; F29-R159 HydrophobicContact CE1-CG 4.24Å; F29-L325 HydrophobicContact CE1-CD1 3.85Å; F29-L325 HydrophobicContact CE1-CD2 4.46Å; F29-L325 HydrophobicContact CZ-CD1 4.44Å; F29-Y352 WeakPolarHBondContact CZ-OH 3.43Å | ||
| 30 | P | 96 | Very high | 96.2 | Very high | 11 Ų | 11 | 49.6 Ų | 49.6 | 7% | 0.071 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | 141.5 | 166.9 | -21.3 | 28.2 | 0 | 0 | 0 | 111.3 | D32 P118 K119 L121 L157 | P30-D32 PolarHBondContact O-N 2.63Å; P30-P118 WeakPolarHBondContact CB-O 3.07Å; P30-K119 WeakPolarHBondContact CB-O 3.43Å; P30-L121 HydrophobicContact CG-CB 4.16Å; P30-L157 VanDerWaalsContact CD-O 3.23Å; P30-L157 WeakPolarHBondContact CD-O 3.31Å |
| 31 | E | 96.2 | Very high | 96.2 | Very high | 106 Ų | 106 | 48 Ų | 48 | 50% | 0.495 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.2 | -2.9 | -173.1 | -51.3 | -175.1 | 100.3 | 0 | 0 | 116.7 | F29 L117 P118 K119 | F29-E31 PolarHBondContact O-N 2.7Å; E31-L117 VanDerWaalsContact CA-O 3.25Å; E31-L117 WeakPolarHBondContact CA-O 3.48Å; E31-L117 PolarHBondContact N-O 2.85Å; E31-P118 PolarHBondContact N-O 3.07Å; E31-K119 HydrophobicContact CG-CB 4.05Å; E31-K119 HydrophobicContact CG-CD 4.43Å; E31-K119 HydrophobicContact CG-CG 3.8Å; E31-K119 VanDerWaalsContact OE1-CD 3.23Å; E31-K119 WeakPolarHBondContact OE1-CD 3.08Å; E31-K119 WeakPolarHBondContact OE1-CE 3.4Å; E31-K119 WeakPolarHBondContact OE1-CG 3.33Å; E31-K119 IonicContact OE1-NZ 3.07Å; E31-K119 PolarHBondContact OE1-NZ 3.21Å |
| 32 | D | 97.3 | Very high | 96 | Very high | 28 Ų | 28 | 46.8 Ų | 46.8 | 15% | 0.15 | 23% | 0.23 | C | C | . | . | trans | -69.8 | 149 | 170.6 | -74.6 | 1.7 | 0 | 0 | 0 | 111.2 | R23 Y28 F29 P30 L117 | R23-D32 IonicContact CZ-OD2 3.61Å; R23-D32 IonicContact NH1-OD2 2.76Å; R23-D32 PolarHBondContact NH1-OD2 2.93Å; R23-D32 IonicContact NH2-OD2 3.39Å; R23-D32 PolarHBondContact NH2-OD2 2.89Å; R23-D32 VanDerWaalsContact NH2-OD2 3.08Å; Y28-D32 HydrophobicContact CD1-CB 4.17Å; F29-D32 PolarHBondContact N-OD2 3.21Å; F29-D32 VanDerWaalsContact O-CB 3.24Å; F29-D32 WeakPolarHBondContact O-CB 3.42Å; F29-D32 PolarHBondContact O-N 3.14Å; P30-D32 PolarHBondContact O-N 2.63Å; D32-L117 WeakPolarHBondContact O-CB 3.44Å; D32-L117 WeakPolarHBondContact O-CG 3.46Å; D32-L117 PolarHBondContact O-N 2.9Å | ||
| 33 | D | 97.7 | Very high | 95.8 | Very high | 77 Ų | 77 | 47.1 Ų | 47.1 | 41% | 0.412 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 124.3 | 168 | -65.1 | -42.9 | 0 | 0 | 0 | 110.6 | Y28 E35 P116 | Y28-D33 WeakPolarHBondContact CE1-O 3.37Å; D33-E35 HydrophobicContact CB-CG 4.16Å; D33-E35 PolarHBondContact O-N 3.43Å; D33-P116 VanDerWaalsContact OD1-CA 3.31Å; D33-P116 WeakPolarHBondContact OD1-CA 3.37Å; D33-P116 WeakPolarHBondContact OD1-CB 3.21Å |
| 34 | V | 97.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 98.6 | 172.3 | -179.4 | 0 | 0 | 0 | 0 | 108.5 | F21 Y28 F55 Y113 T114 F115 L117 F154 | F21-V34 HydrophobicContact CD1-CG1 3.81Å; F21-V34 HydrophobicContact CE1-CG1 3.73Å; Y28-V34 HydrophobicContact CD1-CG2 3.8Å; Y28-V34 HydrophobicContact CD2-CG2 4.18Å; Y28-V34 HydrophobicContact CE1-CB 4.2Å; Y28-V34 HydrophobicContact CE1-CG1 4.32Å; Y28-V34 HydrophobicContact CE1-CG2 3.93Å; Y28-V34 HydrophobicContact CE2-CG1 4.23Å; Y28-V34 HydrophobicContact CE2-CG2 4.29Å; Y28-V34 HydrophobicContact CG-CG2 3.94Å; V34-F55 HydrophobicContact CB-CE1 4.25Å; V34-F55 HydrophobicContact CG1-CE1 3.97Å; V34-Y113 HydrophobicContact CG1-CE2 4.34Å; V34-T114 WeakPolarHBondContact O-CA 3.47Å; V34-F115 PolarHBondContact N-O 2.92Å; V34-F115 PolarHBondContact O-N 3.09Å; V34-L117 HydrophobicContact CG2-CD1 3.74Å; V34-L117 HydrophobicContact CG2-CD2 3.9Å; V34-L117 HydrophobicContact CG2-CG 3.68Å; V34-F154 HydrophobicContact CG2-CE2 4.11Å; V34-F154 HydrophobicContact CG2-CZ 4.2Å |
| 35 | E | 97.2 | Very high | 95.6 | Very high | 97 Ų | 97 | 40.5 Ų | 40.5 | 45% | 0.453 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 149.4 | -179.1 | -59.6 | -178.7 | 125.9 | 0 | 0 | 111.6 | D22 D33 Y113 | D22-E35 PolarHBondContact N-O 2.86Å; D33-E35 HydrophobicContact CB-CG 4.16Å; D33-E35 PolarHBondContact O-N 3.43Å; E35-Y113 WeakPolarHBondContact CA-O 3.2Å |
| 36 | G | 97.7 | Very high | 95.5 | Very high | 2 Ų | 2 | 36.6 Ų | 36.6 | 2% | 0.021 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 172.7 | -168.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | L20 D22 P112 Y113 | L20-G36 CarbonylContact O-C 3.52Å; L20-G36 WeakPolarHBondContact O-CA 3.43Å; D22-G36 WeakPolarHBondContact OD1-CA 3.23Å; G36-P112 CarbonylContact O-C 3.56Å; G36-P112 WeakPolarHBondContact O-CA 3.27Å; G36-Y113 PolarHBondContact N-O 2.81Å; G36-Y113 WeakPolarHBondContact O-CD1 3.25Å; G36-Y113 PolarHBondContact O-N 2.9Å |
| 37 | N | 97.7 | Very high | 95.2 | Very high | 40 Ų | 40 | 43.7 Ų | 43.7 | 21% | 0.214 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 137.1 | -179.5 | -66.7 | -92.2 | 0 | 0 | 0 | 111 | L20 L110 I111 P112 Y113 | L20-N37 WeakPolarHBondContact CB-O 3.49Å; L20-N37 PolarHBondContact N-O 2.86Å; L20-N37 PolarHBondContact O-N 3.37Å; N37-L110 HydrophobicContact CB-CB 4.41Å; N37-L110 HydrophobicContact CB-CD2 4.33Å; N37-I111 CarbonylContact C-O 3.59Å; N37-I111 WeakPolarHBondContact CA-O 3.38Å; N37-P112 WeakPolarHBondContact OD1-CA 3.36Å; N37-Y113 VanDerWaalsContact N-CE1 3.3Å |
| 38 | V | 96.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 117.9 | 163.7 | -175.9 | 0 | 0 | 0 | 0 | 107.9 | F17 I40 L51 L53 L89 I111 Y113 A138 | F17-V38 HydrophobicContact CD2-CG1 4.25Å; F17-V38 HydrophobicContact CE2-CG1 3.75Å; V38-I40 HydrophobicContact CG1-CD1 4.29Å; V38-I40 HydrophobicContact CG1-CG1 4.02Å; V38-L51 HydrophobicContact CG1-CD1 4.39Å; V38-L51 HydrophobicContact CG1-CD2 4.44Å; V38-L53 HydrophobicContact CG2-CD1 4.28Å; V38-L53 HydrophobicContact CG2-CD2 3.6Å; V38-L53 HydrophobicContact CG2-CG 4.29Å; V38-L89 HydrophobicContact CB-CD1 4.49Å; V38-L89 HydrophobicContact CG2-CD1 3.63Å; V38-I111 HydrophobicContact CB-CB 4.42Å; V38-I111 PolarHBondContact N-O 3.33Å; V38-I111 PolarHBondContact O-N 2.87Å; V38-Y113 HydrophobicContact CG2-CD1 4.02Å; V38-Y113 HydrophobicContact CG2-CE1 4.3Å; V38-A138 HydrophobicContact CG1-CB 4.19Å; V38-A138 HydrophobicContact CG2-CB 4.38Å |
| 39 | K | 95.9 | Very high | 94.4 | Very high | 52 Ų | 52 | 44.1 Ų | 44.1 | 23% | 0.226 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 122.1 | 177.2 | -179.8 | 167.2 | 178.8 | 148.3 | 0 | 110.2 | F17 D18 L20 E108 H109 L110 | F17-K39 WeakPolarHBondContact CA-O 3.15Å; D18-K39 PolarHBondContact N-O 2.78Å; D18-K39 PolarHBondContact O-N 3.07Å; L20-K39 HydrophobicContact CD1-CB 3.8Å; L20-K39 HydrophobicContact CD1-CD 4.03Å; L20-K39 HydrophobicContact CG-CB 4.11Å; K39-E108 WeakPolarHBondContact CE-OE2 3.38Å; K39-E108 IonicContact NZ-OE1 3.72Å; K39-E108 IonicContact NZ-OE2 2.75Å; K39-E108 PolarHBondContact NZ-OE2 3.49Å; K39-H109 WeakPolarHBondContact CA-O 3.24Å; K39-L110 HydrophobicContact CB-CD2 3.83Å; K39-L110 HydrophobicContact CD-CD2 4.24Å; K39-L110 HydrophobicContact CG-CD2 3.95Å |
| 40 | I | 95 | Very high | 94.2 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 122.2 | 175.7 | -49.3 | 174.3 | 0 | 0 | 0 | 108.5 | C16 F17 V38 L42 L51 L104 H109 I111 I140 | C16-I40 WeakPolarHBondContact O-CA 3.23Å; F17-I40 HydrophobicContact CD2-CG1 4.02Å; F17-I40 HydrophobicContact CE2-CG1 4.34Å; V38-I40 HydrophobicContact CG1-CD1 4.29Å; V38-I40 HydrophobicContact CG1-CG1 4.02Å; I40-L42 HydrophobicContact CG2-CD1 4.4Å; I40-L42 HydrophobicContact CG2-CD2 3.71Å; I40-L42 HydrophobicContact CG2-CG 3.85Å; I40-L51 HydrophobicContact CD1-CD1 4.46Å; I40-L51 HydrophobicContact CD1-CD2 4.06Å; I40-L104 HydrophobicContact CD1-CD1 4.06Å; I40-H109 HydrophobicContact CB-CB 4.33Å; I40-H109 PolarHBondContact N-O 2.8Å; I40-H109 PolarHBondContact O-N 2.9Å; I40-I111 HydrophobicContact CD1-CD1 4.11Å; I40-I140 HydrophobicContact CD1-CD1 3.93Å; I40-I140 HydrophobicContact CD1-CG1 4.49Å |
| 41 | T | 95.1 | Very high | 94.1 | Very high | 30 Ų | 30 | 44.2 Ų | 44.2 | 18% | 0.184 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 124.4 | 171.5 | -49.9 | 0 | 0 | 0 | 0 | 109.4 | S15 C16 G107 | S15-T41 PolarHBondContact N-O 3.49Å; S15-T41 WeakPolarHBondContact OG-CB 3.47Å; S15-T41 VanDerWaalsContact OG-CG2 3.25Å; S15-T41 WeakPolarHBondContact OG-CG2 3.43Å; S15-T41 PolarHBondContact OG-O 3.06Å; C16-T41 PolarHBondContact N-O 2.95Å; C16-T41 PolarHBondContact O-N 3.36Å; T41-G107 WeakPolarHBondContact CA-O 3.19Å |
| 42 | L | 93.3 | Very high | 94.1 | Very high | 5 Ų | 5 | 41.5 Ų | 41.5 | 3% | 0.026 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 125.2 | -172.5 | -63.3 | -179.1 | 0 | 0 | 0 | 111.6 | P13 I14 I40 L46 L104 P105 G107 | P13-L42 WeakPolarHBondContact O-CA 3.36Å; I14-L42 HydrophobicContact CB-CD2 4.31Å; I14-L42 HydrophobicContact CG1-CD2 3.59Å; I40-L42 HydrophobicContact CG2-CD1 4.4Å; I40-L42 HydrophobicContact CG2-CD2 3.71Å; I40-L42 HydrophobicContact CG2-CG 3.85Å; L42-L46 HydrophobicContact CD1-CB 3.72Å; L42-L46 HydrophobicContact CD2-CB 3.96Å; L42-L46 HydrophobicContact CD2-CD2 3.97Å; L42-L46 HydrophobicContact CG-CB 4.5Å; L42-L104 HydrophobicContact CD1-CB 3.49Å; L42-L104 VanDerWaalsContact CD1-CB 3.49Å; L42-L104 HydrophobicContact CD1-CG 4.49Å; L42-P105 WeakPolarHBondContact CD1-O 3.48Å; L42-G107 PolarHBondContact N-O 3.29Å; L42-G107 PolarHBondContact O-N 3.26Å |
| 43 | N | 93.2 | Very high | 94.1 | Very high | 108 Ų | 108 | 40.1 Ų | 40.1 | 58% | 0.578 | 20% | 0.198 | S | C | * | . | S | Bend | trans | -81.8 | -24.4 | 173.9 | -63.1 | -23 | 0 | 0 | 0 | 112.1 | P13 S15 | P13-N43 PolarHBondContact O-N 3.3Å; S15-N43 PolarHBondContact OG-OD1 2.79Å |
| 44 | K | 90.9 | Very high | 94.2 | Very high | 77 Ų | 77 | 37.1 Ų | 37.1 | 34% | 0.335 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -137.9 | 153.6 | 176.5 | -64.1 | -174.7 | -176.5 | -178 | 0 | 108.6 | V8 D9 P13 L46 | V8-K44 PolarHBondContact O-NZ 3.01Å; D9-K44 IonicContact OD2-NZ 2.85Å; D9-K44 PolarHBondContact OD2-NZ 3.5Å; P13-K44 HydrophobicContact CB-CB 4.27Å; K44-L46 PolarHBondContact O-N 2.9Å |
| 45 | P | 90.5 | Very high | 94.2 | Very high | 78 Ų | 78 | 37.1 Ų | 37.1 | 51% | 0.506 | 18% | 0.182 | S | C | . | . | trans | -53.5 | 134.5 | 173.5 | -24.9 | 33.9 | 0 | 0 | 0 | 111.7 | V103 L104 | P45-V103 HydrophobicContact CB-CG1 3.85Å; P45-L104 CarbonylContact C-O 3.58Å; P45-L104 VanDerWaalsContact CA-O 3.23Å; P45-L104 WeakPolarHBondContact CA-O 3.29Å | ||
| 46 | L | 90.4 | Very high | 94.2 | Very high | 5 Ų | 5 | 34.5 Ų | 34.5 | 3% | 0.026 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 125.5 | -179 | 177 | 63.6 | 0 | 0 | 0 | 109.6 | P13 I14 L42 K44 L48 V103 L104 I140 Y148 | P13-L46 HydrophobicContact CG-CD1 3.86Å; I14-L46 HydrophobicContact CD1-CD2 3.88Å; I14-L46 HydrophobicContact CG1-CD2 4.05Å; L42-L46 HydrophobicContact CD1-CB 3.72Å; L42-L46 HydrophobicContact CD2-CB 3.96Å; L42-L46 HydrophobicContact CD2-CD2 3.97Å; L42-L46 HydrophobicContact CG-CB 4.5Å; K44-L46 PolarHBondContact O-N 2.9Å; L46-L48 HydrophobicContact CG-CD2 4.39Å; L46-L48 VanDerWaalsContact O-CD2 3.31Å; L46-L48 WeakPolarHBondContact O-CD2 3.25Å; L46-V103 CarbonylContact O-C 3.55Å; L46-V103 WeakPolarHBondContact O-CA 3.36Å; L46-L104 HydrophobicContact CB-CB 4.48Å; L46-L104 PolarHBondContact N-O 3.36Å; L46-L104 PolarHBondContact O-N 2.87Å; L46-I140 HydrophobicContact CD2-CD1 4.33Å; L46-I140 HydrophobicContact CD2-CG2 4.17Å; L46-Y148 HydrophobicContact CD1-CE2 4.26Å |
| 47 | R | 88.6 | Confident | 94.2 | Very high | 165 Ų | 165 | 34.4 Ų | 34.4 | 62% | 0.623 | 17% | 0.168 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 129.3 | 168.8 | -52.5 | -168.8 | -179.7 | 173.5 | -2 | 109.7 | E101 F102 V103 | R47-E101 HydrophobicContact CB-CB 4.32Å; R47-E101 WeakPolarHBondContact CB-OE2 3.4Å; R47-E101 VanDerWaalsContact CD-OE2 3.25Å; R47-E101 WeakPolarHBondContact CD-OE2 3.39Å; R47-F102 WeakPolarHBondContact CA-O 3.48Å; R47-V103 HydrophobicContact CG-CG2 4.04Å |
| 48 | L | 89.5 | Confident | 94.2 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 148.2 | 179.8 | 59 | 157.5 | 0 | 0 | 0 | 110.7 | L46 L51 F102 L104 I140 S141 | L46-L48 HydrophobicContact CG-CD2 4.39Å; L46-L48 VanDerWaalsContact O-CD2 3.31Å; L46-L48 WeakPolarHBondContact O-CD2 3.25Å; L48-L51 HydrophobicContact CD1-CB 4.1Å; L48-F102 HydrophobicContact CD1-CD1 4.34Å; L48-F102 HydrophobicContact CD2-CD1 3.85Å; L48-F102 WeakPolarHBondContact CD2-O 3.46Å; L48-F102 HydrophobicContact CG-CB 4.4Å; L48-F102 HydrophobicContact CG-CD1 4.1Å; L48-F102 PolarHBondContact N-O 3.41Å; L48-F102 PolarHBondContact O-N 2.74Å; L48-F102 VanDerWaalsContact O-N 3.09Å; L48-L104 HydrophobicContact CD1-CD1 3.9Å; L48-L104 HydrophobicContact CD2-CB 3.95Å; L48-L104 HydrophobicContact CD2-CD1 3.59Å; L48-L104 HydrophobicContact CD2-CG 3.83Å; L48-L104 HydrophobicContact CG-CD1 4.44Å; L48-I140 HydrophobicContact CB-CG2 3.67Å; L48-I140 HydrophobicContact CD1-CG2 4.09Å; L48-I140 HydrophobicContact CG-CG2 4.47Å; L48-S141 CarbonylContact C-O 3.5Å; L48-S141 WeakPolarHBondContact CA-O 3.48Å |
| 49 | A | 89.8 | Confident | 94.2 | Very high | 20 Ų | 20 | 35.7 Ų | 35.7 | 17% | 0.165 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -79.6 | -45.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111 | S141 | A49-S141 PolarHBondContact N-O 3.04Š|
| 50 | N | 92 | Very high | 94.2 | Very high | 38 Ų | 38 | 34.3 Ų | 34.3 | 20% | 0.203 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 161.4 | 173 | 58.7 | 47.7 | 0 | 0 | 0 | 111.2 | V90 S141 | N50-V90 CarbonylContact C-O 3.52Å; N50-V90 WeakPolarHBondContact CA-O 3.22Å; N50-V90 WeakPolarHBondContact CB-O 3.38Å; N50-S141 PolarHBondContact O-N 3.4Å; N50-S141 WeakPolarHBondContact OD1-CB 3.49Å; N50-S141 PolarHBondContact OD1-OG 2.82Å |
| 51 | L | 94.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 123.5 | 163.8 | 172.3 | 68.1 | 0 | 0 | 0 | 107.9 | F17 V38 I40 L48 L89 V90 I111 V139 I140 | F17-L51 HydrophobicContact CE2-CD1 4.39Å; V38-L51 HydrophobicContact CG1-CD1 4.39Å; V38-L51 HydrophobicContact CG1-CD2 4.44Å; I40-L51 HydrophobicContact CD1-CD1 4.46Å; I40-L51 HydrophobicContact CD1-CD2 4.06Å; L48-L51 HydrophobicContact CD1-CB 4.1Å; L51-L89 HydrophobicContact CD2-CB 4.26Å; L51-L89 HydrophobicContact CD2-CD1 4.14Å; L51-L89 HydrophobicContact CG-CB 4.32Å; L51-L89 HydrophobicContact CG-CD1 4.35Å; L51-L89 PolarHBondContact O-N 2.9Å; L51-V90 HydrophobicContact CB-CB 3.94Å; L51-V90 HydrophobicContact CB-CG2 4.11Å; L51-V90 HydrophobicContact CD2-CG2 4.28Å; L51-V90 PolarHBondContact N-O 3.15Å; L51-V90 PolarHBondContact O-N 2.86Å; L51-I111 HydrophobicContact CD2-CB 4.43Å; L51-I111 HydrophobicContact CD2-CD1 3.29Å; L51-I111 HydrophobicContact CD2-CG1 4.43Å; L51-I111 HydrophobicContact CD2-CG2 4.39Å; L51-V139 WeakPolarHBondContact CA-O 3.47Å; L51-I140 HydrophobicContact CD1-CG1 3.66Å |
| 52 | R | 96.1 | Very high | 93.8 | Very high | 49 Ų | 49 | 38 Ų | 38 | 19% | 0.185 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 154.2 | -179.1 | 61.5 | 179.3 | -177.7 | 116.8 | 11 | 111.7 | E86 V87 V88 A138 V139 | R52-E86 HydrophobicContact CB-CG 4.27Å; R52-E86 WeakPolarHBondContact CD-OE1 3.06Å; R52-E86 IonicContact CZ-OE2 3.89Å; R52-E86 IonicContact NH1-OE1 3.9Å; R52-E86 IonicContact NH1-OE2 2.82Å; R52-E86 PolarHBondContact NH1-OE2 2.69Å; R52-V87 CarbonylContact C-O 3.57Å; R52-V87 WeakPolarHBondContact CA-O 3.39Å; R52-V88 HydrophobicContact CB-CG2 4.4Å; R52-A138 WeakPolarHBondContact O-CA 3.09Å; R52-V139 HydrophobicContact CG-CB 3.92Å; R52-V139 PolarHBondContact N-O 2.96Å; R52-V139 PolarHBondContact O-N 2.83Å |
| 53 | L | 97.7 | Very high | 93 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 138.3 | 170.4 | -63.3 | -177 | 0 | 0 | 0 | 110 | V38 F55 E86 V87 L89 Y113 Q137 A138 | V38-L53 HydrophobicContact CG2-CD1 4.28Å; V38-L53 HydrophobicContact CG2-CD2 3.6Å; V38-L53 HydrophobicContact CG2-CG 4.29Å; L53-F55 HydrophobicContact CB-CD2 4.22Å; L53-F55 HydrophobicContact CB-CE2 3.78Å; L53-F55 HydrophobicContact CD1-CE2 3.82Å; L53-F55 HydrophobicContact CD1-CZ 4.08Å; L53-F55 HydrophobicContact CG-CE2 4.47Å; L53-E86 CarbonylContact O-C 3.6Å; L53-E86 VanDerWaalsContact O-CA 3.27Å; L53-E86 WeakPolarHBondContact O-CA 3.36Å; L53-V87 HydrophobicContact CB-CB 4.35Å; L53-V87 PolarHBondContact N-O 2.87Å; L53-V87 PolarHBondContact O-N 2.91Å; L53-L89 HydrophobicContact CD1-CD1 3.87Å; L53-L89 HydrophobicContact CD1-CD2 4.36Å; L53-L89 HydrophobicContact CD1-CG 4.35Å; L53-L89 HydrophobicContact CD2-CD1 4.33Å; L53-L89 HydrophobicContact CG-CD1 3.77Å; L53-L89 HydrophobicContact CG-CG 4.16Å; L53-Y113 VanDerWaalsContact CD1-CB 3.44Å; L53-Y113 HydrophobicContact CD1-CD1 3.51Å; L53-Y113 HydrophobicContact CD1-CD2 3.87Å; L53-Y113 HydrophobicContact CD1-CE1 4.17Å; L53-Y113 HydrophobicContact CD1-CG 3.32Å; L53-Q137 CarbonylContact C-O 3.6Å; L53-Q137 WeakPolarHBondContact CA-O 3.36Å; L53-A138 HydrophobicContact CD2-CB 3.44Å; L53-A138 VanDerWaalsContact CD2-CB 3.44Å |
| 54 | L | 97.8 | Very high | 92.2 | Very high | 13 Ų | 13 | 36.4 Ų | 36.4 | 7% | 0.068 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 108.8 | 171 | -71.2 | 151.9 | 0 | 0 | 0 | 107.6 | K85 E86 Q137 V139 | L54-K85 CarbonylContact C-O 3.59Å; L54-K85 WeakPolarHBondContact CA-O 3.34Å; L54-E86 HydrophobicContact CD2-CB 4.23Å; L54-E86 HydrophobicContact CD2-CG 4.46Å; L54-Q137 HydrophobicContact CB-CB 4.16Å; L54-Q137 HydrophobicContact CD1-CG 4.49Å; L54-Q137 VanDerWaalsContact CD1-OE1 3.22Å; L54-Q137 PolarHBondContact N-O 3.07Å; L54-Q137 PolarHBondContact O-N 2.71Å; L54-V139 HydrophobicContact CD1-CG2 3.75Å |
| 55 | F | 98.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 119.2 | 171.5 | -74.8 | -90.2 | 0 | 0 | 0 | 108.6 | V34 L53 F83 D84 K85 V87 Y113 F115 C136 | V34-F55 HydrophobicContact CB-CE1 4.25Å; V34-F55 HydrophobicContact CG1-CE1 3.97Å; L53-F55 HydrophobicContact CB-CD2 4.22Å; L53-F55 HydrophobicContact CB-CE2 3.78Å; L53-F55 HydrophobicContact CD1-CE2 3.82Å; L53-F55 HydrophobicContact CD1-CZ 4.08Å; L53-F55 HydrophobicContact CG-CE2 4.47Å; F55-F83 HydrophobicContact CB-CD2 4.29Å; F55-F83 HydrophobicContact CB-CE2 3.94Å; F55-F83 WeakPolarHBondContact O-CD2 3.35Å; F55-D84 WeakPolarHBondContact O-CA 3.3Å; F55-K85 PolarHBondContact N-O 3.1Å; F55-K85 PolarHBondContact O-N 3.26Å; F55-V87 HydrophobicContact CD2-CG2 4.17Å; F55-V87 HydrophobicContact CE2-CG2 4.2Å; F55-Y113 HydrophobicContact CE1-CE2 4.39Å; F55-Y113 AromaticContact CZ-CD2 3.74Å; F55-Y113 HydrophobicContact CZ-CD2 3.74Å; F55-Y113 AromaticContact CZ-CE2 3.83Å; F55-Y113 HydrophobicContact CZ-CE2 3.83Å; F55-F115 HydrophobicContact CB-CD1 3.83Å; F55-F115 HydrophobicContact CB-CD2 4.15Å; F55-F115 HydrophobicContact CB-CE1 3.63Å; F55-F115 HydrophobicContact CB-CE2 3.99Å; F55-F115 HydrophobicContact CB-CG 4.07Å; F55-F115 HydrophobicContact CB-CZ 3.72Å; F55-F115 HydrophobicContact CD1-CB 3.89Å; F55-F115 AromaticContact CD1-CD1 3.45Å; F55-F115 HydrophobicContact CD1-CD1 3.45Å; F55-F115 VanDerWaalsContact CD1-CD1 3.45Å; F55-F115 HydrophobicContact CD1-CD2 4.48Å; F55-F115 HydrophobicContact CD1-CE1 4.09Å; F55-F115 AromaticContact CD1-CG 3.68Å; F55-F115 HydrophobicContact CD1-CG 3.68Å; F55-F115 HydrophobicContact CD2-CB 3.82Å; F55-F115 HydrophobicContact CD2-CD1 4.13Å; F55-F115 AromaticContact CD2-CD2 3.67Å; F55-F115 HydrophobicContact CD2-CD2 3.67Å; F55-F115 HydrophobicContact CD2-CE2 4.28Å; F55-F115 AromaticContact CD2-CG 3.59Å; F55-F115 HydrophobicContact CD2-CG 3.59Å; F55-F115 HydrophobicContact CE1-CB 3.59Å; F55-F115 AromaticContact CE1-CD1 3.99Å; F55-F115 HydrophobicContact CE1-CD1 3.99Å; F55-F115 AromaticContact CE1-CG 3.94Å; F55-F115 HydrophobicContact CE1-CG 3.94Å; F55-F115 HydrophobicContact CE2-CB 3.52Å; F55-F115 HydrophobicContact CE2-CD2 4.18Å; F55-F115 AromaticContact CE2-CG 3.86Å; F55-F115 HydrophobicContact CE2-CG 3.86Å; F55-F115 HydrophobicContact CG-CB 3.99Å; F55-F115 AromaticContact CG-CD1 3.52Å; F55-F115 HydrophobicContact CG-CD1 3.52Å; F55-F115 AromaticContact CG-CD2 3.85Å; F55-F115 HydrophobicContact CG-CD2 3.85Å; F55-F115 AromaticContact CG-CE1 3.9Å; F55-F115 HydrophobicContact CG-CE1 3.9Å; F55-F115 HydrophobicContact CG-CE2 4.2Å; F55-F115 AromaticContact CG-CG 3.49Å; F55-F115 HydrophobicContact CG-CG 3.49Å; F55-F115 VanDerWaalsContact CG-CG 3.49Å; F55-F115 HydrophobicContact CG-CZ 4.22Å; F55-F115 HydrophobicContact CZ-CB 3.4Å; F55-F115 HydrophobicContact CZ-CG 4.03Å; F55-C136 HydrophobicContact CD1-CB 4.08Å; F55-C136 HydrophobicContact CE1-CB 3.78Å; F55-C136 HydrophobicContact CZ-CB 4.24Å |
| 56 | K | 97.8 | Very high | 89.6 | Confident | 43 Ų | 43 | 34.4 Ų | 34.4 | 19% | 0.187 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 135 | -176.8 | -59.3 | -169.2 | -178.7 | -129.6 | 0 | 110.5 | F83 D84 Y134 Y135 | K56-F83 VanDerWaalsContact C-CE2 3.46Å; K56-F83 WeakPolarHBondContact CA-O 3.38Å; K56-D84 VanDerWaalsContact CE-OD1 3.24Å; K56-D84 WeakPolarHBondContact CE-OD1 3.39Å; K56-D84 WeakPolarHBondContact CE-OD2 3.35Å; K56-D84 IonicContact NZ-OD1 3.79Å; K56-D84 PolarHBondContact NZ-OD1 3.3Å; K56-D84 IonicContact NZ-OD2 3.4Å; K56-D84 PolarHBondContact NZ-OD2 2.77Å; K56-Y134 CarbonylContact O-C 3.56Å; K56-Y134 WeakPolarHBondContact O-CA 3.33Å; K56-Y135 HydrophobicContact CB-CD1 4.31Å; K56-Y135 HydrophobicContact CB-CD2 4.13Å; K56-Y135 HydrophobicContact CB-CE1 3.78Å; K56-Y135 HydrophobicContact CB-CE2 3.63Å; K56-Y135 HydrophobicContact CB-CG 4.48Å; K56-Y135 VanDerWaalsContact CB-CZ 3.43Å; K56-Y135 HydrophobicContact CD-CE2 3.65Å; K56-Y135 WeakPolarHBondContact CD-OH 3.24Å; K56-Y135 HydrophobicContact CG-CE2 3.94Å; K56-Y135 PolarHBondContact N-O 3.26Å; K56-Y135 PolarHBondContact O-N 2.99Å |
| 57 | G | 98.1 | Very high | 88 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 122.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | Y82 F83 R133 Y134 | G57-Y82 WeakPolarHBondContact O-CB 3.49Å; G57-Y82 PolarHBondContact O-N 2.84Å; G57-F83 PolarHBondContact N-O 3.01Å; G57-F83 PolarHBondContact O-N 2.92Å; G57-R133 WeakPolarHBondContact CA-O 3.37Å; G57-Y134 VanDerWaalsContact CA-CD1 3.41Å |
| 58 | R | 97.2 | Very high | 86.2 | Confident | 67 Ų | 67 | 36.1 Ų | 36.1 | 25% | 0.253 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 149.5 | -178.7 | 57.6 | 177.1 | 176.7 | -170.6 | -2.4 | 112.3 | E79 L80 I132 R133 Y135 | R58-E79 HydrophobicContact CB-CG 4.1Å; R58-E79 VanDerWaalsContact CD-CD 3.41Å; R58-E79 WeakPolarHBondContact CD-OE2 3.16Å; R58-E79 IonicContact CZ-OE2 2.71Å; R58-E79 IonicContact NE-OE2 3.26Å; R58-E79 IonicContact NH1-OE2 3.06Å; R58-E79 PolarHBondContact NH1-OE2 2.81Å; R58-L80 CarbonylContact C-O 3.53Å; R58-L80 VanDerWaalsContact CA-O 3.23Å; R58-L80 WeakPolarHBondContact CA-O 3.07Å; R58-L80 WeakPolarHBondContact CB-O 3.48Å; R58-I132 WeakPolarHBondContact O-CA 3.2Å; R58-R133 PolarHBondContact N-O 2.83Å; R58-R133 PolarHBondContact O-N 2.99Å; R58-Y135 PolarHBondContact NH2-OH 3.03Å |
| 59 | A | 97 | Very high | 84.4 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 139.8 | 156.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | E79 L80 Y82 S131 I132 C290 I292 | A59-E79 WeakPolarHBondContact O-CA 3.45Å; A59-L80 HydrophobicContact CB-CB 4.38Å; A59-L80 PolarHBondContact N-O 2.76Å; A59-L80 PolarHBondContact O-N 2.76Å; A59-Y82 HydrophobicContact CB-CE2 4.11Å; A59-Y82 WeakPolarHBondContact CB-OH 3.3Å; A59-S131 CarbonylContact C-O 3.51Å; A59-S131 VanDerWaalsContact CA-O 3.23Å; A59-S131 WeakPolarHBondContact CA-O 3.36Å; A59-I132 HydrophobicContact CB-CG1 3.91Å; A59-C290 VanDerWaalsContact CB-SG 3.54Å; A59-I292 HydrophobicContact CB-CD1 4.07Å; A59-I292 HydrophobicContact CB-CG1 4.31Å |
| 60 | N | 95.3 | Very high | 82.3 | Confident | 23 Ų | 23 | 50.8 Ų | 50.8 | 12% | 0.123 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 165.1 | 172.9 | 65.5 | 22.4 | 0 | 0 | 0 | 111.4 | C78 E79 G130 S131 | N60-C78 CarbonylContact C-O 3.5Å; N60-C78 WeakPolarHBondContact CA-O 3.37Å; N60-C78 VanDerWaalsContact CB-O 3.24Å; N60-C78 WeakPolarHBondContact CB-O 3.38Å; N60-E79 HydrophobicContact CB-CB 4.41Å; N60-E79 HydrophobicContact CB-CG 4.39Å; N60-G130 CarbonylContact O-C 3.58Å; N60-G130 WeakPolarHBondContact O-CA 3.49Å; N60-S131 PolarHBondContact N-O 3.08Å; N60-S131 PolarHBondContact O-N 2.87Å; N60-S131 PolarHBondContact OD1-OG 3.06Å |
| 61 | F | 93.4 | Very high | 80.1 | Confident | 4 Ų | 4 | 53.3 Ų | 53.3 | 2% | 0.018 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 151.3 | 157.9 | 60.8 | -110.1 | 0 | 0 | 0 | 109.7 | I64 T77 C78 Y129 C238 I239 V248 I292 | F61-I64 HydrophobicContact CB-CD1 4.26Å; F61-I64 HydrophobicContact CD2-CD1 3.17Å; F61-I64 HydrophobicContact CD2-CG1 4.07Å; F61-I64 HydrophobicContact CE2-CD1 3.52Å; F61-I64 HydrophobicContact CG-CD1 3.78Å; F61-I64 HydrophobicContact CZ-CD1 4.33Å; F61-T77 WeakPolarHBondContact O-CA 3.45Å; F61-C78 HydrophobicContact CD1-CB 4.02Å; F61-C78 HydrophobicContact CD2-CB 4.07Å; F61-C78 HydrophobicContact CE1-CB 3.44Å; F61-C78 VanDerWaalsContact CE1-CB 3.44Å; F61-C78 HydrophobicContact CE2-CB 3.48Å; F61-C78 VanDerWaalsContact CE2-CB 3.48Å; F61-C78 HydrophobicContact CG-CB 4.32Å; F61-C78 HydrophobicContact CZ-CB 3.14Å; F61-C78 PolarHBondContact N-O 2.82Å; F61-C78 PolarHBondContact O-N 2.94Å; F61-C78 VanDerWaalsContact O-N 3.08Å; F61-Y129 CarbonylContact C-O 3.46Å; F61-Y129 WeakPolarHBondContact CA-O 3.17Å; F61-Y129 WeakPolarHBondContact CB-O 3.45Å; F61-C238 HydrophobicContact CB-CB 4.4Å; F61-C238 HydrophobicContact CD1-CB 3.76Å; F61-C238 HydrophobicContact CE1-CB 4.12Å; F61-C238 HydrophobicContact CG-CB 4.03Å; F61-I239 WeakPolarHBondContact CE1-O 3.26Å; F61-V248 HydrophobicContact CE1-CG2 4.13Å; F61-V248 HydrophobicContact CE2-CG2 4.08Å; F61-V248 HydrophobicContact CZ-CG2 3.68Å; F61-I292 HydrophobicContact CD1-CB 4.36Å; F61-I292 HydrophobicContact CD1-CD1 4.44Å; F61-I292 HydrophobicContact CE1-CB 4.12Å |
| 62 | E | 88.5 | Confident | 77.8 | Confident | 104 Ų | 104 | 55 Ų | 55 | 49% | 0.486 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 171.3 | -178.4 | 58.2 | 171.4 | -152.4 | 0 | 0 | 112.6 | I64 T77 Y129 | E62-I64 PolarHBondContact O-N 3.46Å; E62-T77 HydrophobicContact CB-CG2 4.08Å; E62-Y129 PolarHBondContact N-O 2.93Å |
| 63 | N | 77.5 | Confident | 75.6 | Confident | 76 Ų | 76 | 60.2 Ų | 60.2 | 41% | 0.406 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 59 | 19.2 | 175.7 | -63.1 | -62.1 | 0 | 0 | 0 | 115.8 | P65 K75 | N63-P65 WeakPolarHBondContact O-CD 3.45Å; N63-K75 PolarHBondContact OD1-NZ 2.81Å |
| 64 | I | 75.6 | Confident | 73.6 | Confident | 3 Ų | 3 | 64.7 Ų | 64.7 | 2% | 0.015 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 122.5 | 173.9 | -60.1 | 177.1 | 0 | 0 | 0 | 108.7 | F61 E62 A66 K75 S76 Y129 C238 V248 A249 | F61-I64 HydrophobicContact CB-CD1 4.26Å; F61-I64 HydrophobicContact CD2-CD1 3.17Å; F61-I64 HydrophobicContact CD2-CG1 4.07Å; F61-I64 HydrophobicContact CE2-CD1 3.52Å; F61-I64 HydrophobicContact CG-CD1 3.78Å; F61-I64 HydrophobicContact CZ-CD1 4.33Å; E62-I64 PolarHBondContact O-N 3.46Å; I64-A66 PolarHBondContact O-N 3.45Å; I64-A66 VanDerWaalsContact O-N 3.07Å; I64-K75 WeakPolarHBondContact O-CA 3.43Å; I64-S76 PolarHBondContact O-N 2.75Å; I64-Y129 HydrophobicContact CG1-CG 4.44Å; I64-C238 HydrophobicContact CD1-CB 3.81Å; I64-V248 HydrophobicContact CD1-CG2 3.79Å; I64-V248 WeakPolarHBondContact CG2-O 3.23Å; I64-A249 HydrophobicContact CB-CB 4.43Å; I64-A249 HydrophobicContact CD1-CB 3.55Å; I64-A249 HydrophobicContact CG1-CB 3.77Å; I64-A249 HydrophobicContact CG2-CB 3.85Å |
| 65 | P | 67.5 | Low | 72.1 | Confident | 80 Ų | 80 | 70.2 Ų | 70.2 | 52% | 0.519 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 113.6 | 169.7 | -16.4 | 29.4 | 0 | 0 | 0 | 108.6 | N63 N67 | N63-P65 WeakPolarHBondContact O-CD 3.45Å; P65-N67 PolarHBondContact O-N 2.93Å |
| 66 | A | 59.6 | Low | 70.9 | Confident | 33 Ų | 33 | 72.2 Ų | 72.2 | 27% | 0.273 | 42% | 0.415 | S | S | . | . | trans | -69.5 | 133.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | I64 A68 T74 | I64-A66 PolarHBondContact O-N 3.45Å; I64-A66 VanDerWaalsContact O-N 3.07Å; A66-A68 PolarHBondContact O-N 3.28Å; A66-T74 WeakPolarHBondContact CB-O 3.13Å; A66-T74 PolarHBondContact N-O 3.01Å; A66-T74 VanDerWaalsContact N-O 3.08Å | ||
| 67 | N | 57.6 | Low | 70.2 | Confident | 162 Ų | 162 | 75 Ų | 75 | 87% | 0.866 | 44% | 0.436 | S | S | * | . | trans | -71.7 | 72 | 164.6 | -70.7 | -28.1 | 0 | 0 | 0 | 108.6 | P65 R69 | P65-N67 PolarHBondContact O-N 2.93Å; N67-R69 PolarHBondContact O-N 3.2Å | ||
| 68 | A | 50.4 | Low | 69.8 | Low | 44 Ų | 44 | 75.8 Ų | 75.8 | 36% | 0.364 | 44% | 0.442 | S | S | . | . | trans | -67.3 | 109.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | A66 G70 G72 | A66-A68 PolarHBondContact O-N 3.28Å; A68-G70 PolarHBondContact O-N 3.05Å; A68-G72 WeakPolarHBondContact CB-O 3.15Å | ||
| 69 | R | 51 | Low | 69.6 | Low | 265 Ų | 265 | 76.1 Ų | 76.1 | 100% | 1 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -60.9 | 11.5 | 164.9 | -71.3 | -178.6 | 175.8 | 169.3 | -0.4 | 113.1 | N67 | N67-R69 PolarHBondContact O-N 3.2Š|
| 70 | G | 45.1 | Very low | 69.5 | Low | 62 Ų | 62 | 78.2 Ų | 78.2 | 64% | 0.639 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -154.4 | 83.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | A68 G72 | A68-G70 PolarHBondContact O-N 3.05Å; G70-G72 VanDerWaalsContact C-N 3.33Å; G70-G72 PolarHBondContact O-N 3.41Å |
| 71 | G | 47.2 | Very low | 69.6 | Low | 92 Ų | 92 | 80.6 Ų | 80.6 | 95% | 0.948 | 47% | 0.473 | S | S | * | . | S | Bend | trans | 67.8 | -6.3 | 146.7 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||
| 72 | G | 44.8 | Very low | 69.7 | Low | 36 Ų | 36 | 83 Ų | 83 | 37% | 0.371 | 48% | 0.482 | S | S | . | . | trans | -120.1 | 124.6 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | A68 G70 T74 | A68-G72 WeakPolarHBondContact CB-O 3.15Å; G70-G72 VanDerWaalsContact C-N 3.33Å; G70-G72 PolarHBondContact O-N 3.41Å; G72-T74 PolarHBondContact O-N 3.1Å | ||
| 73 | L | 49.8 | Very low | 70.1 | Confident | 157 Ų | 157 | 78.5 Ų | 78.5 | 82% | 0.822 | 46% | 0.461 | S | S | * | . | trans | -68.8 | 78.3 | 161 | -94.3 | 97.5 | 0 | 0 | 0 | 108.6 | ||||
| 74 | T | 56.1 | Low | 71.1 | Confident | 94 Ų | 94 | 78.7 Ų | 78.7 | 58% | 0.577 | 46% | 0.462 | S | S | * | . | P | Polyproline II helix | trans | -76.7 | 121.7 | 160.6 | 45.9 | 0 | 0 | 0 | 0 | 107 | A66 G72 S76 | A66-T74 WeakPolarHBondContact CB-O 3.13Å; A66-T74 PolarHBondContact N-O 3.01Å; A66-T74 VanDerWaalsContact N-O 3.08Å; G72-T74 PolarHBondContact O-N 3.1Å; T74-S76 PolarHBondContact O-N 2.93Å |
| 75 | K | 66.4 | Low | 72.1 | Confident | 129 Ų | 129 | 84.4 Ų | 84.4 | 56% | 0.561 | 49% | 0.486 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 127 | 169.2 | -72.7 | 176.1 | 171.3 | -170.9 | 0 | 107.3 | N63 I64 | N63-K75 PolarHBondContact OD1-NZ 2.81Å; I64-K75 WeakPolarHBondContact O-CA 3.43Å |
| 76 | S | 73 | Confident | 73.5 | Confident | 42 Ų | 42 | 85.4 Ų | 85.4 | 29% | 0.294 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 124.3 | 172.7 | -171.2 | 0 | 0 | 0 | 0 | 108.9 | I64 T74 | I64-S76 PolarHBondContact O-N 2.75Å; T74-S76 PolarHBondContact O-N 2.93Å |
| 77 | T | 83.1 | Confident | 75.2 | Confident | 101 Ų | 101 | 85.7 Ų | 85.7 | 62% | 0.62 | 48% | 0.483 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 137.4 | 171.2 | 58 | 0 | 0 | 0 | 0 | 108.5 | F61 E62 | F61-T77 WeakPolarHBondContact O-CA 3.45Å; E62-T77 HydrophobicContact CB-CG2 4.08Å |
| 78 | C | 90.4 | Very high | 76.9 | Confident | 18 Ų | 18 | 81.1 Ų | 81.1 | 12% | 0.122 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 141 | 177.1 | -179.2 | 0 | 0 | 0 | 0 | 109.6 | N60 F61 K241 | N60-C78 CarbonylContact C-O 3.5Å; N60-C78 WeakPolarHBondContact CA-O 3.37Å; N60-C78 VanDerWaalsContact CB-O 3.24Å; N60-C78 WeakPolarHBondContact CB-O 3.38Å; F61-C78 HydrophobicContact CD1-CB 4.02Å; F61-C78 HydrophobicContact CD2-CB 4.07Å; F61-C78 HydrophobicContact CE1-CB 3.44Å; F61-C78 VanDerWaalsContact CE1-CB 3.44Å; F61-C78 HydrophobicContact CE2-CB 3.48Å; F61-C78 VanDerWaalsContact CE2-CB 3.48Å; F61-C78 HydrophobicContact CG-CB 4.32Å; F61-C78 HydrophobicContact CZ-CB 3.14Å; F61-C78 PolarHBondContact N-O 2.82Å; F61-C78 PolarHBondContact O-N 2.94Å; F61-C78 VanDerWaalsContact O-N 3.08Å; C78-K241 VanDerWaalsContact SG-CB 3.58Å |
| 79 | E | 93 | Very high | 78.9 | Confident | 74 Ų | 74 | 81 Ų | 81 | 35% | 0.346 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 139.7 | 176 | -171.1 | 177.7 | 112.6 | 0 | 0 | 110.9 | R58 A59 N60 T81 K241 | R58-E79 HydrophobicContact CB-CG 4.1Å; R58-E79 VanDerWaalsContact CD-CD 3.41Å; R58-E79 WeakPolarHBondContact CD-OE2 3.16Å; R58-E79 IonicContact CZ-OE2 2.71Å; R58-E79 IonicContact NE-OE2 3.26Å; R58-E79 IonicContact NH1-OE2 3.06Å; R58-E79 PolarHBondContact NH1-OE2 2.81Å; A59-E79 WeakPolarHBondContact O-CA 3.45Å; N60-E79 HydrophobicContact CB-CB 4.41Å; N60-E79 HydrophobicContact CB-CG 4.39Å; E79-T81 PolarHBondContact OE1-OG1 3.12Å; E79-K241 PolarHBondContact O-NZ 3.3Å |
| 80 | L | 94.5 | Very high | 80.6 | Confident | 44 Ų | 44 | 69.4 Ų | 69.4 | 23% | 0.23 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 108.5 | 167.4 | -180 | 68.6 | 0 | 0 | 0 | 108.4 | R58 A59 Y82 P291 I292 | R58-L80 CarbonylContact C-O 3.53Å; R58-L80 VanDerWaalsContact CA-O 3.23Å; R58-L80 WeakPolarHBondContact CA-O 3.07Å; R58-L80 WeakPolarHBondContact CB-O 3.48Å; A59-L80 HydrophobicContact CB-CB 4.38Å; A59-L80 PolarHBondContact N-O 2.76Å; A59-L80 PolarHBondContact O-N 2.76Å; L80-Y82 HydrophobicContact CD2-CE1 3.86Å; L80-Y82 HydrophobicContact CG-CE1 4.25Å; L80-P291 HydrophobicContact CD2-CG 4.2Å; L80-I292 HydrophobicContact CB-CD1 3.99Å |
| 81 | T | 96.6 | Very high | 82.4 | Confident | 73 Ų | 73 | 71.1 Ų | 71.1 | 45% | 0.448 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 124.5 | 178.7 | -42.4 | 0 | 0 | 0 | 0 | 110.1 | E79 D84 | E79-T81 PolarHBondContact OE1-OG1 3.12Å; T81-D84 HydrophobicContact CG2-CB 4.09Å |
| 82 | Y | 96.4 | Very high | 83.5 | Confident | 55 Ų | 55 | 75.2 Ų | 75.2 | 22% | 0.216 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | -43.2 | 170.7 | -58 | -55.4 | 0 | 0 | 0 | 111.3 | G57 A59 L80 L122 I132 Y134 C290 | G57-Y82 WeakPolarHBondContact O-CB 3.49Å; G57-Y82 PolarHBondContact O-N 2.84Å; A59-Y82 HydrophobicContact CB-CE2 4.11Å; A59-Y82 WeakPolarHBondContact CB-OH 3.3Å; L80-Y82 HydrophobicContact CD2-CE1 3.86Å; L80-Y82 HydrophobicContact CG-CE1 4.25Å; Y82-L122 WeakPolarHBondContact OH-CD1 3.24Å; Y82-I132 HydrophobicContact CE2-CG2 4.01Å; Y82-Y134 AromaticContact CD2-CE1 3.85Å; Y82-Y134 HydrophobicContact CD2-CE1 3.85Å; Y82-C290 PolarHBondContact OH-SG 3.48Å |
| 83 | F | 97.4 | Very high | 84 | Confident | 9 Ų | 9 | 79.8 Ų | 79.8 | 4% | 0.039 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 149 | 171.4 | 58.8 | -88.8 | 0 | 0 | 0 | 110.7 | F55 K56 G57 K85 F115 L117 P118 L121 Y134 F154 | F55-F83 HydrophobicContact CB-CD2 4.29Å; F55-F83 HydrophobicContact CB-CE2 3.94Å; F55-F83 WeakPolarHBondContact O-CD2 3.35Å; K56-F83 VanDerWaalsContact C-CE2 3.46Å; K56-F83 WeakPolarHBondContact CA-O 3.38Å; G57-F83 PolarHBondContact N-O 3.01Å; G57-F83 PolarHBondContact O-N 2.92Å; F83-K85 HydrophobicContact CB-CG 4.39Å; F83-F115 HydrophobicContact CD2-CE1 4.15Å; F83-F115 HydrophobicContact CD2-CZ 4.15Å; F83-F115 AromaticContact CE2-CE1 3.94Å; F83-F115 HydrophobicContact CE2-CE1 3.94Å; F83-F115 HydrophobicContact CE2-CZ 4.39Å; F83-L117 HydrophobicContact CE1-CD2 4.33Å; F83-L117 HydrophobicContact CZ-CD2 3.91Å; F83-P118 HydrophobicContact CB-CG 4.13Å; F83-P118 HydrophobicContact CD1-CG 3.77Å; F83-P118 HydrophobicContact CE1-CG 4.44Å; F83-P118 HydrophobicContact CG-CG 4.09Å; F83-L121 HydrophobicContact CD1-CD2 3.73Å; F83-L121 HydrophobicContact CE1-CD1 3.93Å; F83-L121 HydrophobicContact CE1-CD2 3.65Å; F83-L121 HydrophobicContact CE1-CG 4.47Å; F83-Y134 AromaticContact CE1-CD1 3.58Å; F83-Y134 HydrophobicContact CE1-CD1 3.58Å; F83-Y134 AromaticContact CE1-CE1 3.84Å; F83-Y134 HydrophobicContact CE1-CE1 3.84Å; F83-Y134 AromaticContact CZ-CD1 3.71Å; F83-Y134 HydrophobicContact CZ-CD1 3.71Å; F83-Y134 HydrophobicContact CZ-CE1 4.43Å; F83-F154 HydrophobicContact CZ-CZ 4.5Å |
| 84 | D | 97.2 | Very high | 84.1 | Confident | 79 Ų | 79 | 78.6 Ų | 78.6 | 42% | 0.422 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 103.6 | 167.9 | -168.1 | -19 | 0 | 0 | 0 | 105.3 | F55 K56 T81 | F55-D84 WeakPolarHBondContact O-CA 3.3Å; K56-D84 VanDerWaalsContact CE-OD1 3.24Å; K56-D84 WeakPolarHBondContact CE-OD1 3.39Å; K56-D84 WeakPolarHBondContact CE-OD2 3.35Å; K56-D84 IonicContact NZ-OD1 3.79Å; K56-D84 PolarHBondContact NZ-OD1 3.3Å; K56-D84 IonicContact NZ-OD2 3.4Å; K56-D84 PolarHBondContact NZ-OD2 2.77Å; T81-D84 HydrophobicContact CG2-CB 4.09Å |
| 85 | K | 97.8 | Very high | 83.9 | Confident | 123 Ų | 123 | 78 Ų | 78 | 54% | 0.535 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 139.9 | -169.8 | -64.6 | -63.8 | 178.5 | -172.9 | 0 | 110.2 | L54 F55 F83 F115 | L54-K85 CarbonylContact C-O 3.59Å; L54-K85 WeakPolarHBondContact CA-O 3.34Å; F55-K85 PolarHBondContact N-O 3.1Å; F55-K85 PolarHBondContact O-N 3.26Å; F83-K85 HydrophobicContact CB-CG 4.39Å; K85-F115 HydrophobicContact CB-CE2 3.65Å; K85-F115 HydrophobicContact CB-CZ 3.86Å; K85-F115 HydrophobicContact CG-CE2 4.15Å; K85-F115 HydrophobicContact CG-CZ 4.04Å |
| 86 | E | 96.5 | Very high | 83.3 | Confident | 101 Ų | 101 | 79.6 Ų | 79.6 | 47% | 0.472 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 136.5 | -179.5 | -175.3 | 170.1 | 148.3 | 0 | 0 | 110.7 | R52 L53 L54 V88 | R52-E86 HydrophobicContact CB-CG 4.27Å; R52-E86 WeakPolarHBondContact CD-OE1 3.06Å; R52-E86 IonicContact CZ-OE2 3.89Å; R52-E86 IonicContact NH1-OE1 3.9Å; R52-E86 IonicContact NH1-OE2 2.82Å; R52-E86 PolarHBondContact NH1-OE2 2.69Å; L53-E86 CarbonylContact O-C 3.6Å; L53-E86 VanDerWaalsContact O-CA 3.27Å; L53-E86 WeakPolarHBondContact O-CA 3.36Å; L54-E86 HydrophobicContact CD2-CB 4.23Å; L54-E86 HydrophobicContact CD2-CG 4.46Å; E86-V88 HydrophobicContact CG-CG2 4.4Å |
| 87 | V | 95.1 | Very high | 82.2 | Confident | 40 Ų | 40 | 86.8 Ų | 86.8 | 24% | 0.242 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 115.5 | 171.8 | -179.1 | 0 | 0 | 0 | 0 | 107.7 | R52 L53 F55 L89 F115 | R52-V87 CarbonylContact C-O 3.57Å; R52-V87 WeakPolarHBondContact CA-O 3.39Å; L53-V87 HydrophobicContact CB-CB 4.35Å; L53-V87 PolarHBondContact N-O 2.87Å; L53-V87 PolarHBondContact O-N 2.91Å; F55-V87 HydrophobicContact CD2-CG2 4.17Å; F55-V87 HydrophobicContact CE2-CG2 4.2Å; V87-L89 HydrophobicContact CG1-CD2 4.04Å; V87-F115 HydrophobicContact CG2-CD2 4.05Å |
| 88 | V | 93.5 | Very high | 80.8 | Confident | 65 Ų | 65 | 89 Ų | 89 | 39% | 0.394 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 119.4 | 177.3 | -171.7 | 0 | 0 | 0 | 0 | 108.7 | R52 E86 D91 | R52-V88 HydrophobicContact CB-CG2 4.4Å; E86-V88 HydrophobicContact CG-CG2 4.4Å; V88-D91 HydrophobicContact CG1-CB 3.68Å |
| 89 | L | 92 | Very high | 79 | Confident | 43 Ų | 43 | 95 Ų | 95 | 23% | 0.225 | 50% | 0.504 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | -37.6 | -179 | -59.6 | -178.8 | 0 | 0 | 0 | 111.8 | V38 L51 L53 V87 I111 | V38-L89 HydrophobicContact CB-CD1 4.49Å; V38-L89 HydrophobicContact CG2-CD1 3.63Å; L51-L89 HydrophobicContact CD2-CB 4.26Å; L51-L89 HydrophobicContact CD2-CD1 4.14Å; L51-L89 HydrophobicContact CG-CB 4.32Å; L51-L89 HydrophobicContact CG-CD1 4.35Å; L51-L89 PolarHBondContact O-N 2.9Å; L53-L89 HydrophobicContact CD1-CD1 3.87Å; L53-L89 HydrophobicContact CD1-CD2 4.36Å; L53-L89 HydrophobicContact CD1-CG 4.35Å; L53-L89 HydrophobicContact CD2-CD1 4.33Å; L53-L89 HydrophobicContact CG-CD1 3.77Å; L53-L89 HydrophobicContact CG-CG 4.16Å; V87-L89 HydrophobicContact CG1-CD2 4.04Å; L89-I111 HydrophobicContact CB-CG2 4.01Å; L89-I111 HydrophobicContact CD1-CG2 3.92Å; L89-I111 HydrophobicContact CG-CG2 4.5Å |
| 90 | V | 87.3 | Confident | 77.3 | Confident | 21 Ų | 21 | 94.5 Ų | 94.5 | 13% | 0.127 | 52% | 0.518 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 117.5 | 176.3 | -177.2 | 0 | 0 | 0 | 0 | 107.7 | N50 L51 F102 I111 | N50-V90 CarbonylContact C-O 3.52Å; N50-V90 WeakPolarHBondContact CA-O 3.22Å; N50-V90 WeakPolarHBondContact CB-O 3.38Å; L51-V90 HydrophobicContact CB-CB 3.94Å; L51-V90 HydrophobicContact CB-CG2 4.11Å; L51-V90 HydrophobicContact CD2-CG2 4.28Å; L51-V90 PolarHBondContact N-O 3.15Å; L51-V90 PolarHBondContact O-N 2.86Å; V90-F102 HydrophobicContact CG1-CB 4.4Å; V90-F102 HydrophobicContact CG1-CD1 3.57Å; V90-F102 HydrophobicContact CG1-CD2 4.14Å; V90-F102 HydrophobicContact CG1-CE1 3.72Å; V90-F102 HydrophobicContact CG1-CE2 4.29Å; V90-F102 HydrophobicContact CG1-CG 3.79Å; V90-F102 HydrophobicContact CG1-CZ 4.1Å; V90-I111 HydrophobicContact CG2-CD1 4.41Å |
| 91 | D | 82.6 | Confident | 75.9 | Confident | 97 Ų | 97 | 95.3 Ų | 95.3 | 52% | 0.519 | 52% | 0.52 | S | S | . | . | trans | -128.7 | 169.6 | 172.8 | -153.2 | -8.1 | 0 | 0 | 0 | 110.1 | V88 L93 | V88-D91 HydrophobicContact CG1-CB 3.68Å; D91-L93 PolarHBondContact O-N 2.98Å | ||
| 92 | R | 70.4 | Confident | 75.1 | Confident | 178 Ų | 178 | 96.5 Ų | 96.5 | 67% | 0.672 | 52% | 0.52 | S | S | * | . | P | Polyproline II helix | trans | -56.7 | 137.6 | 170.9 | -62.7 | 180 | -178.6 | 178.5 | -0.6 | 110 | P94 | R92-P94 WeakPolarHBondContact O-CD 3.37Š|
| 93 | L | 55.3 | Low | 74.7 | Confident | 132 Ų | 132 | 97.2 Ų | 97.2 | 69% | 0.691 | 53% | 0.529 | S | S | * | . | P | Polyproline II helix | trans | -65.1 | 124.1 | 166.7 | -70.7 | 170.5 | 0 | 0 | 0 | 108.7 | D91 G95 | D91-L93 PolarHBondContact O-N 2.98Å; L93-G95 PolarHBondContact O-N 2.83Å |
| 94 | P | 51.7 | Low | 74.3 | Confident | 132 Ų | 132 | 97 Ų | 97 | 86% | 0.857 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | 131.9 | 172.8 | -20.1 | 30.6 | 0 | 0 | 0 | 110.3 | R92 | R92-P94 WeakPolarHBondContact O-CD 3.37Š|
| 95 | G | 52.2 | Low | 74.1 | Confident | 83 Ų | 83 | 96.9 Ų | 96.9 | 86% | 0.856 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.8 | 10.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | L93 | L93-G95 PolarHBondContact O-N 2.83Š|
| 96 | K | 52.3 | Low | 73.9 | Confident | 161 Ų | 161 | 94.3 Ų | 94.3 | 70% | 0.7 | 53% | 0.529 | S | S | * | . | trans | -100.7 | 108.9 | 164.8 | -72.5 | -165.7 | 174.8 | -173.3 | 0 | 110.2 | D98 | K96-D98 PolarHBondContact O-N 2.87Š| ||
| 97 | E | 50.1 | Low | 73.8 | Confident | 193 Ų | 193 | 91 Ų | 91 | 90% | 0.902 | 52% | 0.522 | S | S | * | . | trans | -71.5 | -14.1 | 174.9 | -64 | -171.9 | 158 | 0 | 0 | 112.8 | T99 | E97-T99 PolarHBondContact O-N 2.91Š| ||
| 98 | D | 54 | Low | 73.8 | Confident | 147 Ų | 147 | 94.4 Ų | 94.4 | 79% | 0.786 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -70.9 | 116.8 | 172.4 | -87.4 | -21.5 | 0 | 0 | 0 | 110.2 | K96 G100 | K96-D98 PolarHBondContact O-N 2.87Å; D98-G100 PolarHBondContact O-N 3.45Å |
| 99 | T | 53.3 | Low | 73.9 | Confident | 146 Ų | 146 | 93 Ų | 93 | 90% | 0.896 | 53% | 0.525 | S | S | * | . | trans | -47.4 | 21.3 | 178.9 | 55.4 | 0 | 0 | 0 | 0 | 118.8 | E97 E101 | E97-T99 PolarHBondContact O-N 2.91Å; T99-E101 PolarHBondContact O-N 2.86Å | ||
| 100 | G | 58 | Low | 74.1 | Confident | 62 Ų | 62 | 95.2 Ų | 95.2 | 64% | 0.639 | 54% | 0.536 | S | S | * | . | trans | -77.6 | 109.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | D98 | D98-G100 PolarHBondContact O-N 3.45Š| ||
| 101 | E | 63.2 | Low | 74.6 | Confident | 61 Ų | 61 | 95.7 Ų | 95.7 | 29% | 0.285 | 54% | 0.538 | S | S | . | . | trans | -51.1 | 148.3 | 157.4 | -59.9 | -179.8 | 134.2 | 0 | 0 | 110.6 | R47 T99 V103 T143 | R47-E101 HydrophobicContact CB-CB 4.32Å; R47-E101 WeakPolarHBondContact CB-OE2 3.4Å; R47-E101 VanDerWaalsContact CD-OE2 3.25Å; R47-E101 WeakPolarHBondContact CD-OE2 3.39Å; T99-E101 PolarHBondContact O-N 2.86Å; E101-V103 PolarHBondContact O-N 3.08Å; E101-T143 WeakPolarHBondContact OE1-CB 3.38Å; E101-T143 PolarHBondContact OE1-OG1 3.47Å | ||
| 102 | F | 81.6 | Confident | 75.3 | Confident | 99 Ų | 99 | 95.4 Ų | 95.4 | 43% | 0.434 | 54% | 0.541 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 132.2 | 172 | -172.4 | -104.6 | 0 | 0 | 0 | 108.5 | R47 L48 V90 L104 | R47-F102 WeakPolarHBondContact CA-O 3.48Å; L48-F102 HydrophobicContact CD1-CD1 4.34Å; L48-F102 HydrophobicContact CD2-CD1 3.85Å; L48-F102 WeakPolarHBondContact CD2-O 3.46Å; L48-F102 HydrophobicContact CG-CB 4.4Å; L48-F102 HydrophobicContact CG-CD1 4.1Å; L48-F102 PolarHBondContact N-O 3.41Å; L48-F102 PolarHBondContact O-N 2.74Å; L48-F102 VanDerWaalsContact O-N 3.09Å; V90-F102 HydrophobicContact CG1-CB 4.4Å; V90-F102 HydrophobicContact CG1-CD1 3.57Å; V90-F102 HydrophobicContact CG1-CD2 4.14Å; V90-F102 HydrophobicContact CG1-CE1 3.72Å; V90-F102 HydrophobicContact CG1-CE2 4.29Å; V90-F102 HydrophobicContact CG1-CG 3.79Å; V90-F102 HydrophobicContact CG1-CZ 4.1Å; F102-L104 HydrophobicContact CD1-CG 4.22Å; F102-L104 HydrophobicContact CE1-CD2 4.19Å; F102-L104 HydrophobicContact CE1-CG 3.78Å |
| 103 | V | 87.2 | Confident | 76.6 | Confident | 69 Ų | 69 | 87.6 Ų | 87.6 | 42% | 0.418 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 106.5 | 178.1 | -171.1 | 0 | 0 | 0 | 0 | 108.7 | P45 L46 R47 E101 P105 | P45-V103 HydrophobicContact CB-CG1 3.85Å; L46-V103 CarbonylContact O-C 3.55Å; L46-V103 WeakPolarHBondContact O-CA 3.36Å; R47-V103 HydrophobicContact CG-CG2 4.04Å; E101-V103 PolarHBondContact O-N 3.08Å; V103-P105 WeakPolarHBondContact O-CD 2.93Å |
| 104 | L | 89.3 | Confident | 78.6 | Confident | 6 Ų | 6 | 84.7 Ų | 84.7 | 3% | 0.031 | 50% | 0.5 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 121.2 | 166.8 | -90.8 | 160 | 0 | 0 | 0 | 108.1 | I40 L42 P45 L46 L48 F102 H109 | I40-L104 HydrophobicContact CD1-CD1 4.06Å; L42-L104 HydrophobicContact CD1-CB 3.49Å; L42-L104 VanDerWaalsContact CD1-CB 3.49Å; L42-L104 HydrophobicContact CD1-CG 4.49Å; P45-L104 CarbonylContact C-O 3.58Å; P45-L104 VanDerWaalsContact CA-O 3.23Å; P45-L104 WeakPolarHBondContact CA-O 3.29Å; L46-L104 HydrophobicContact CB-CB 4.48Å; L46-L104 PolarHBondContact N-O 3.36Å; L46-L104 PolarHBondContact O-N 2.87Å; L48-L104 HydrophobicContact CD1-CD1 3.9Å; L48-L104 HydrophobicContact CD2-CB 3.95Å; L48-L104 HydrophobicContact CD2-CD1 3.59Å; L48-L104 HydrophobicContact CD2-CG 3.83Å; L48-L104 HydrophobicContact CG-CD1 4.44Å; F102-L104 HydrophobicContact CD1-CG 4.22Å; F102-L104 HydrophobicContact CE1-CD2 4.19Å; F102-L104 HydrophobicContact CE1-CG 3.78Å; L104-H109 HydrophobicContact CD2-CB 4.32Å; L104-H109 WeakPolarHBondContact CD2-ND1 3.35Å |
| 105 | P | 92.3 | Very high | 80.8 | Confident | 75 Ų | 75 | 79.3 Ų | 79.3 | 49% | 0.487 | 46% | 0.463 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 161.8 | 177.2 | 28 | -32.7 | 0 | 0 | 0 | 110.8 | L42 V103 H109 | L42-P105 WeakPolarHBondContact CD1-O 3.48Å; V103-P105 WeakPolarHBondContact O-CD 2.93Å; P105-H109 PolarHBondContact O-NE2 2.82Å |
| 106 | S | 93.4 | Very high | 83 | Confident | 69 Ų | 69 | 79.1 Ų | 79.1 | 48% | 0.483 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -58.6 | 146.8 | 170.6 | 52.3 | 0 | 0 | 0 | 0 | 111.1 | ||
| 107 | G | 94.7 | Very high | 85.1 | Confident | 31 Ų | 31 | 71.8 Ų | 71.8 | 32% | 0.32 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 128.1 | -168.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | T41 L42 | T41-G107 WeakPolarHBondContact CA-O 3.19Å; L42-G107 PolarHBondContact N-O 3.29Å; L42-G107 PolarHBondContact O-N 3.26Å |
| 108 | E | 96.4 | Very high | 87.4 | Confident | 113 Ų | 113 | 64.9 Ų | 64.9 | 53% | 0.528 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 135.6 | 176.2 | -173.7 | 171.4 | 104 | 0 | 0 | 110.6 | K39 | K39-E108 WeakPolarHBondContact CE-OE2 3.38Å; K39-E108 IonicContact NZ-OE1 3.72Å; K39-E108 IonicContact NZ-OE2 2.75Å; K39-E108 PolarHBondContact NZ-OE2 3.49Å |
| 109 | H | 95.4 | Very high | 89.2 | Confident | 35 Ų | 35 | 64.9 Ų | 64.9 | 16% | 0.162 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 131 | 177.9 | -57.7 | -85.8 | 0 | 0 | 0 | 109.3 | K39 I40 L104 P105 | K39-H109 WeakPolarHBondContact CA-O 3.24Å; I40-H109 HydrophobicContact CB-CB 4.33Å; I40-H109 PolarHBondContact N-O 2.8Å; I40-H109 PolarHBondContact O-N 2.9Å; L104-H109 HydrophobicContact CD2-CB 4.32Å; L104-H109 WeakPolarHBondContact CD2-ND1 3.35Å; P105-H109 PolarHBondContact O-NE2 2.82Å |
| 110 | L | 96.7 | Very high | 90.9 | Very high | 90 Ų | 90 | 68.7 Ų | 68.7 | 47% | 0.471 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 111.5 | 170.4 | -66.7 | 175.1 | 0 | 0 | 0 | 107.4 | L20 N37 K39 | L20-L110 HydrophobicContact CD1-CD2 4.31Å; N37-L110 HydrophobicContact CB-CB 4.41Å; N37-L110 HydrophobicContact CB-CD2 4.33Å; K39-L110 HydrophobicContact CB-CD2 3.83Å; K39-L110 HydrophobicContact CD-CD2 4.24Å; K39-L110 HydrophobicContact CG-CD2 3.95Å |
| 111 | I | 96.5 | Very high | 92.7 | Very high | 30 Ų | 30 | 66 Ų | 66 | 15% | 0.154 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 109.1 | -175.5 | -56.8 | 168.5 | 0 | 0 | 0 | 107.5 | N37 V38 I40 L51 L89 V90 | N37-I111 CarbonylContact C-O 3.59Å; N37-I111 WeakPolarHBondContact CA-O 3.38Å; V38-I111 HydrophobicContact CB-CB 4.42Å; V38-I111 PolarHBondContact N-O 3.33Å; V38-I111 PolarHBondContact O-N 2.87Å; I40-I111 HydrophobicContact CD1-CD1 4.11Å; L51-I111 HydrophobicContact CD2-CB 4.43Å; L51-I111 HydrophobicContact CD2-CD1 3.29Å; L51-I111 HydrophobicContact CD2-CG1 4.43Å; L51-I111 HydrophobicContact CD2-CG2 4.39Å; L89-I111 HydrophobicContact CB-CG2 4.01Å; L89-I111 HydrophobicContact CD1-CG2 3.92Å; L89-I111 HydrophobicContact CG-CG2 4.5Å; V90-I111 HydrophobicContact CG2-CD1 4.41Å |
| 112 | P | 97.4 | Very high | 94.2 | Very high | 91 Ų | 91 | 64.6 Ų | 64.6 | 59% | 0.591 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 152.2 | -173.9 | 29.2 | -35.4 | 0 | 0 | 0 | 111.4 | G36 N37 | G36-P112 CarbonylContact O-C 3.56Å; G36-P112 WeakPolarHBondContact O-CA 3.27Å; N37-P112 WeakPolarHBondContact OD1-CA 3.36Å |
| 113 | Y | 97.5 | Very high | 94.9 | Very high | 14 Ų | 14 | 60.9 Ų | 60.9 | 6% | 0.055 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 158.3 | 173 | 65.4 | -99.4 | 0 | 0 | 0 | 110.8 | V19 L20 F21 V34 E35 G36 N37 V38 L53 F55 | V19-Y113 HydrophobicContact CG1-CE1 4.04Å; V19-Y113 WeakPolarHBondContact CG1-OH 3.44Å; L20-Y113 PolarHBondContact O-OH 2.84Å; L20-Y113 VanDerWaalsContact O-OH 3.07Å; F21-Y113 WeakPolarHBondContact CD1-OH 3.46Å; F21-Y113 WeakPolarHBondContact CE1-OH 3.2Å; V34-Y113 HydrophobicContact CG1-CE2 4.34Å; E35-Y113 WeakPolarHBondContact CA-O 3.2Å; G36-Y113 PolarHBondContact N-O 2.81Å; G36-Y113 WeakPolarHBondContact O-CD1 3.25Å; G36-Y113 PolarHBondContact O-N 2.9Å; N37-Y113 VanDerWaalsContact N-CE1 3.3Å; V38-Y113 HydrophobicContact CG2-CD1 4.02Å; V38-Y113 HydrophobicContact CG2-CE1 4.3Å; L53-Y113 VanDerWaalsContact CD1-CB 3.44Å; L53-Y113 HydrophobicContact CD1-CD1 3.51Å; L53-Y113 HydrophobicContact CD1-CD2 3.87Å; L53-Y113 HydrophobicContact CD1-CE1 4.17Å; L53-Y113 HydrophobicContact CD1-CG 3.32Å; F55-Y113 HydrophobicContact CE1-CE2 4.39Å; F55-Y113 AromaticContact CZ-CD2 3.74Å; F55-Y113 HydrophobicContact CZ-CD2 3.74Å; F55-Y113 AromaticContact CZ-CE2 3.83Å; F55-Y113 HydrophobicContact CZ-CE2 3.83Å |
| 114 | T | 97.5 | Very high | 95.4 | Very high | 72 Ų | 72 | 57.6 Ų | 57.6 | 44% | 0.442 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 142.5 | 168.1 | -177.6 | 0 | 0 | 0 | 0 | 108.7 | V34 | V34-T114 WeakPolarHBondContact O-CA 3.47Å |
| 115 | F | 97.9 | Very high | 95.8 | Very high | 18 Ų | 18 | 57.4 Ų | 57.4 | 8% | 0.079 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 117.3 | 176.8 | 178.7 | -99.7 | 0 | 0 | 0 | 111.2 | V34 F55 F83 K85 V87 L117 | V34-F115 PolarHBondContact N-O 2.92Å; V34-F115 PolarHBondContact O-N 3.09Å; F55-F115 HydrophobicContact CB-CD1 3.83Å; F55-F115 HydrophobicContact CB-CD2 4.15Å; F55-F115 HydrophobicContact CB-CE1 3.63Å; F55-F115 HydrophobicContact CB-CE2 3.99Å; F55-F115 HydrophobicContact CB-CG 4.07Å; F55-F115 HydrophobicContact CB-CZ 3.72Å; F55-F115 HydrophobicContact CD1-CB 3.89Å; F55-F115 AromaticContact CD1-CD1 3.45Å; F55-F115 HydrophobicContact CD1-CD1 3.45Å; F55-F115 VanDerWaalsContact CD1-CD1 3.45Å; F55-F115 HydrophobicContact CD1-CD2 4.48Å; F55-F115 HydrophobicContact CD1-CE1 4.09Å; F55-F115 AromaticContact CD1-CG 3.68Å; F55-F115 HydrophobicContact CD1-CG 3.68Å; F55-F115 HydrophobicContact CD2-CB 3.82Å; F55-F115 HydrophobicContact CD2-CD1 4.13Å; F55-F115 AromaticContact CD2-CD2 3.67Å; F55-F115 HydrophobicContact CD2-CD2 3.67Å; F55-F115 HydrophobicContact CD2-CE2 4.28Å; F55-F115 AromaticContact CD2-CG 3.59Å; F55-F115 HydrophobicContact CD2-CG 3.59Å; F55-F115 HydrophobicContact CE1-CB 3.59Å; F55-F115 AromaticContact CE1-CD1 3.99Å; F55-F115 HydrophobicContact CE1-CD1 3.99Å; F55-F115 AromaticContact CE1-CG 3.94Å; F55-F115 HydrophobicContact CE1-CG 3.94Å; F55-F115 HydrophobicContact CE2-CB 3.52Å; F55-F115 HydrophobicContact CE2-CD2 4.18Å; F55-F115 AromaticContact CE2-CG 3.86Å; F55-F115 HydrophobicContact CE2-CG 3.86Å; F55-F115 HydrophobicContact CG-CB 3.99Å; F55-F115 AromaticContact CG-CD1 3.52Å; F55-F115 HydrophobicContact CG-CD1 3.52Å; F55-F115 AromaticContact CG-CD2 3.85Å; F55-F115 HydrophobicContact CG-CD2 3.85Å; F55-F115 AromaticContact CG-CE1 3.9Å; F55-F115 HydrophobicContact CG-CE1 3.9Å; F55-F115 HydrophobicContact CG-CE2 4.2Å; F55-F115 AromaticContact CG-CG 3.49Å; F55-F115 HydrophobicContact CG-CG 3.49Å; F55-F115 VanDerWaalsContact CG-CG 3.49Å; F55-F115 HydrophobicContact CG-CZ 4.22Å; F55-F115 HydrophobicContact CZ-CB 3.4Å; F55-F115 HydrophobicContact CZ-CG 4.03Å; F83-F115 HydrophobicContact CD2-CE1 4.15Å; F83-F115 HydrophobicContact CD2-CZ 4.15Å; F83-F115 AromaticContact CE2-CE1 3.94Å; F83-F115 HydrophobicContact CE2-CE1 3.94Å; F83-F115 HydrophobicContact CE2-CZ 4.39Å; K85-F115 HydrophobicContact CB-CE2 3.65Å; K85-F115 HydrophobicContact CB-CZ 3.86Å; K85-F115 HydrophobicContact CG-CE2 4.15Å; K85-F115 HydrophobicContact CG-CZ 4.04Å; V87-F115 HydrophobicContact CG2-CD2 4.05Å; F115-L117 HydrophobicContact CD1-CD2 4.24Å; F115-L117 HydrophobicContact CE1-CD2 4.15Å; F115-L117 PolarHBondContact O-N 2.94Å |
| 116 | P | 97.8 | Very high | 96 | Very high | 80 Ų | 80 | 54.6 Ų | 54.6 | 52% | 0.519 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 124.3 | 177.9 | 28.2 | -33.2 | 0 | 0 | 0 | 111.2 | D33 | D33-P116 VanDerWaalsContact OD1-CA 3.31Å; D33-P116 WeakPolarHBondContact OD1-CA 3.37Å; D33-P116 WeakPolarHBondContact OD1-CB 3.21Å |
| 117 | L | 98 | Very high | 96.1 | Very high | 7 Ų | 7 | 52.3 Ų | 52.3 | 4% | 0.037 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -71.3 | 142.6 | 176.8 | -70.9 | 176.9 | 0 | 0 | 0 | 112 | Y28 F29 E31 D32 V34 F83 F115 L121 F154 V156 | Y28-L117 HydrophobicContact CG-CD1 4.36Å; F29-L117 WeakPolarHBondContact O-CD1 3.35Å; E31-L117 VanDerWaalsContact CA-O 3.25Å; E31-L117 WeakPolarHBondContact CA-O 3.48Å; E31-L117 PolarHBondContact N-O 2.85Å; D32-L117 WeakPolarHBondContact O-CB 3.44Å; D32-L117 WeakPolarHBondContact O-CG 3.46Å; D32-L117 PolarHBondContact O-N 2.9Å; V34-L117 HydrophobicContact CG2-CD1 3.74Å; V34-L117 HydrophobicContact CG2-CD2 3.9Å; V34-L117 HydrophobicContact CG2-CG 3.68Å; F83-L117 HydrophobicContact CE1-CD2 4.33Å; F83-L117 HydrophobicContact CZ-CD2 3.91Å; F115-L117 HydrophobicContact CD1-CD2 4.24Å; F115-L117 HydrophobicContact CE1-CD2 4.15Å; F115-L117 PolarHBondContact O-N 2.94Å; L117-L121 HydrophobicContact CB-CD1 3.95Å; L117-L121 HydrophobicContact CD1-CD1 4.31Å; L117-L121 HydrophobicContact CD2-CD1 4.09Å; L117-L121 HydrophobicContact CG-CD1 4.34Å; L117-F154 HydrophobicContact CD1-CE2 4.14Å; L117-F154 HydrophobicContact CD2-CE2 3.98Å; L117-F154 HydrophobicContact CD2-CZ 3.93Å; L117-V156 HydrophobicContact CD1-CG2 4.18Å |
| 118 | P | 96.6 | Very high | 96 | Very high | 48 Ų | 48 | 57.3 Ų | 57.3 | 31% | 0.312 | 29% | 0.289 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 159.4 | 172.9 | -25.2 | 33.9 | 0 | 0 | 0 | 113.8 | P30 E31 F83 R120 L121 | P30-P118 WeakPolarHBondContact CB-O 3.07Å; E31-P118 PolarHBondContact N-O 3.07Å; F83-P118 HydrophobicContact CB-CG 4.13Å; F83-P118 HydrophobicContact CD1-CG 3.77Å; F83-P118 HydrophobicContact CE1-CG 4.44Å; F83-P118 HydrophobicContact CG-CG 4.09Å; P118-R120 PolarHBondContact O-N 2.89Å; P118-L121 HydrophobicContact CB-CD2 4.09Å; P118-L121 HydrophobicContact CB-CG 4.47Å; P118-L121 HydrophobicContact CG-CD2 4.27Å |
| 119 | K | 92.4 | Very high | 95.8 | Very high | 147 Ų | 147 | 54.5 Ų | 54.5 | 64% | 0.639 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -67.4 | -30.7 | -176.2 | -49.9 | -154.3 | 173.2 | -133.7 | 0 | 116 | P30 E31 | P30-K119 WeakPolarHBondContact CB-O 3.43Å; E31-K119 HydrophobicContact CG-CB 4.05Å; E31-K119 HydrophobicContact CG-CD 4.43Å; E31-K119 HydrophobicContact CG-CG 3.8Å; E31-K119 VanDerWaalsContact OE1-CD 3.23Å; E31-K119 WeakPolarHBondContact OE1-CD 3.08Å; E31-K119 WeakPolarHBondContact OE1-CE 3.4Å; E31-K119 WeakPolarHBondContact OE1-CG 3.33Å; E31-K119 IonicContact OE1-NZ 3.07Å; E31-K119 PolarHBondContact OE1-NZ 3.21Å |
| 120 | R | 89.2 | Confident | 95.7 | Very high | 226 Ų | 226 | 53 Ų | 53 | 85% | 0.853 | 27% | 0.268 | S | S | * | . | trans | -121.1 | 85.5 | -170.6 | -69.8 | -173.8 | -69.1 | -162.8 | -2.2 | 109.4 | P118 | P118-R120 PolarHBondContact O-N 2.89Š| ||
| 121 | L | 95.5 | Very high | 95.7 | Very high | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | trans | -120.6 | 141.2 | 176 | -56.3 | -180 | 0 | 0 | 0 | 109.4 | P30 F83 L117 P118 Y134 V156 S158 | P30-L121 HydrophobicContact CG-CB 4.16Å; F83-L121 HydrophobicContact CD1-CD2 3.73Å; F83-L121 HydrophobicContact CE1-CD1 3.93Å; F83-L121 HydrophobicContact CE1-CD2 3.65Å; F83-L121 HydrophobicContact CE1-CG 4.47Å; L117-L121 HydrophobicContact CB-CD1 3.95Å; L117-L121 HydrophobicContact CD1-CD1 4.31Å; L117-L121 HydrophobicContact CD2-CD1 4.09Å; L117-L121 HydrophobicContact CG-CD1 4.34Å; P118-L121 HydrophobicContact CB-CD2 4.09Å; P118-L121 HydrophobicContact CB-CG 4.47Å; P118-L121 HydrophobicContact CG-CD2 4.27Å; L121-Y134 HydrophobicContact CB-CE1 4.28Å; L121-Y134 HydrophobicContact CD1-CE1 4.25Å; L121-Y134 HydrophobicContact CD2-CE1 4.04Å; L121-Y134 HydrophobicContact CG-CE1 4.43Å; L121-V156 HydrophobicContact CB-CG1 3.91Å; L121-V156 HydrophobicContact CD1-CG1 4.15Å; L121-V156 HydrophobicContact CD1-CG2 4.4Å; L121-S158 VanDerWaalsContact O-CB 3.22Å; L121-S158 WeakPolarHBondContact O-CB 3.42Å | ||
| 122 | L | 95.5 | Very high | 95.8 | Very high | 33 Ų | 33 | 48 Ų | 48 | 17% | 0.173 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -86 | 155.9 | 176 | -59.4 | -172.2 | 0 | 0 | 0 | 111.1 | Y82 I132 Y134 C290 | Y82-L122 WeakPolarHBondContact OH-CD1 3.24Å; L122-I132 HydrophobicContact CB-CD1 4.21Å; L122-I132 HydrophobicContact CB-CG2 4.46Å; L122-I132 HydrophobicContact CD1-CD1 4.34Å; L122-Y134 PolarHBondContact N-OH 3.01Å; L122-Y134 VanDerWaalsContact O-CE2 3.26Å; L122-Y134 WeakPolarHBondContact O-CE2 3.43Å; L122-Y134 VanDerWaalsContact O-CZ 3.32Å; L122-Y134 PolarHBondContact O-OH 2.8Å; L122-C290 HydrophobicContact CD1-CB 3.47Å; L122-C290 VanDerWaalsContact CD1-CB 3.47Å |
| 123 | S | 96.5 | Very high | 95.7 | Very high | 21 Ų | 21 | 45 Ų | 45 | 15% | 0.147 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -57.5 | 141.5 | 174.3 | -66.3 | 0 | 0 | 0 | 0 | 111.6 | I132 V156 S158 C161 | S123-I132 WeakPolarHBondContact O-CG2 3.34Å; S123-V156 CarbonylContact C-O 3.56Å; S123-V156 VanDerWaalsContact CA-O 3.31Å; S123-V156 WeakPolarHBondContact CA-O 3.12Å; S123-S158 PolarHBondContact OG-N 2.88Å; S123-C161 PolarHBondContact OG-SG 2.88Å |
| 124 | S | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | P | Polyproline II helix | trans | -61.9 | 145.2 | 177 | -55.8 | 0 | 0 | 0 | 0 | 110.5 | I132 Y134 V156 Y380 | S124-I132 VanDerWaalsContact CA-O 3.3Å; S124-I132 WeakPolarHBondContact CA-O 3.5Å; S124-Y134 WeakPolarHBondContact OG-CD2 3.43Å; S124-V156 PolarHBondContact N-O 2.71Å; S124-V156 PolarHBondContact OG-N 3.23Å; S124-V156 PolarHBondContact OG-O 2.83Å; S124-Y380 PolarHBondContact O-OH 2.71Å |
| 125 | Y | 97.3 | Very high | 95.7 | Very high | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.008 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 138.2 | -176.6 | 177.2 | -101.2 | 0 | 0 | 0 | 110.8 | G127 S131 I132 Q234 P284 L293 I295 | Y125-G127 VanDerWaalsContact CE1-CA 3.44Å; Y125-S131 CarbonylContact O-C 3.59Å; Y125-S131 VanDerWaalsContact O-CA 3.24Å; Y125-S131 WeakPolarHBondContact O-CA 3.37Å; Y125-S131 WeakPolarHBondContact O-CB 3.41Å; Y125-I132 PolarHBondContact N-O 3.02Å; Y125-I132 PolarHBondContact O-N 3.06Å; Y125-Q234 PolarHBondContact OH-OE1 2.84Å; Y125-P284 HydrophobicContact CD2-CB 4.21Å; Y125-P284 HydrophobicContact CD2-CG 3.67Å; Y125-P284 HydrophobicContact CE2-CG 3.88Å; Y125-L293 HydrophobicContact CD1-CD2 3.49Å; Y125-L293 VanDerWaalsContact CD1-CD2 3.49Å; Y125-L293 HydrophobicContact CE1-CD2 3.81Å; Y125-L293 HydrophobicContact CE1-CG 4.45Å; Y125-L293 HydrophobicContact CG-CD2 4.48Å; Y125-I295 HydrophobicContact CD1-CD1 4.3Å; Y125-I295 HydrophobicContact CD2-CD1 3.24Å; Y125-I295 HydrophobicContact CD2-CG1 4Å; Y125-I295 HydrophobicContact CE1-CD1 4.47Å; Y125-I295 HydrophobicContact CE1-CG1 4.38Å; Y125-I295 HydrophobicContact CE2-CD1 3.49Å; Y125-I295 VanDerWaalsContact CE2-CD1 3.49Å; Y125-I295 HydrophobicContact CE2-CG1 3.72Å; Y125-I295 HydrophobicContact CE2-CG2 4.25Å; Y125-I295 HydrophobicContact CG-CD1 3.69Å; Y125-I295 HydrophobicContact CG-CG1 4.44Å |
| 126 | E | 96.9 | Very high | 95.7 | Very high | 16 Ų | 16 | 40.4 Ų | 40.4 | 8% | 0.075 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 107.5 | 173.6 | -65.1 | -63 | 158.3 | 0 | 0 | 108.9 | R133 R253 S360 F376 P378 | E126-R133 VanDerWaalsContact CD-NH2 3.28Å; E126-R133 IonicContact OE1-CZ 3.29Å; E126-R133 IonicContact OE1-NE 2.71Å; E126-R133 PolarHBondContact OE1-NE 2.71Å; E126-R133 IonicContact OE1-NH2 3.69Å; E126-R133 PolarHBondContact OE1-NH2 3.19Å; E126-R133 IonicContact OE2-CZ 2.74Å; E126-R133 IonicContact OE2-NE 3.55Å; E126-R133 IonicContact OE2-NH2 2.71Å; E126-R133 PolarHBondContact OE2-NH2 3.06Å; E126-R253 PolarHBondContact O-NH1 2.96Å; E126-R253 PolarHBondContact O-NH2 3.43Å; E126-S360 WeakPolarHBondContact CB-OG 3.5Å; E126-F376 HydrophobicContact CG-CD1 4.05Å; E126-F376 HydrophobicContact CG-CE1 4.16Å; E126-F376 WeakPolarHBondContact OE1-CD1 3.12Å; E126-P378 HydrophobicContact CB-CG 4.36Å; E126-P378 HydrophobicContact CG-CG 3.7Å |
| 127 | G | 94.6 | Very high | 95.6 | Very high | 21 Ų | 21 | 38.4 Ų | 38.4 | 22% | 0.216 | 18% | 0.177 | C | C | . | . | trans | -112.3 | -163 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y125 G130 E236 | Y125-G127 VanDerWaalsContact CE1-CA 3.44Å; G127-G130 WeakPolarHBondContact CA-O 3.46Å; G127-G130 PolarHBondContact N-O 3.07Å; G127-E236 VanDerWaalsContact CA-OE2 3.29Å; G127-E236 WeakPolarHBondContact CA-OE2 3.3Å | ||
| 128 | K | 92.3 | Very high | 95.5 | Very high | 135 Ų | 135 | 38.1 Ų | 38.1 | 59% | 0.587 | 18% | 0.175 | S | C | * | . | S | Bend | trans | -83.1 | -46.5 | -178 | -178.1 | -177.1 | 179.8 | -172.2 | 0 | 110.9 | E236 S251 | K128-E236 PolarHBondContact N-OE1 3.45Å; K128-E236 PolarHBondContact N-OE2 2.79Å; K128-S251 WeakPolarHBondContact CD-OG 3.47Å |
| 129 | Y | 92.6 | Very high | 95.5 | Very high | 55 Ų | 55 | 35.9 Ų | 35.9 | 22% | 0.216 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -106.4 | -32.5 | 179.7 | -55.8 | -60.7 | 0 | 0 | 0 | 111.8 | F61 E62 I64 E236 A249 | F61-Y129 CarbonylContact C-O 3.46Å; F61-Y129 WeakPolarHBondContact CA-O 3.17Å; F61-Y129 WeakPolarHBondContact CB-O 3.45Å; E62-Y129 PolarHBondContact N-O 2.93Å; I64-Y129 HydrophobicContact CG1-CG 4.44Å; Y129-E236 WeakPolarHBondContact CD2-OE1 3.48Å; Y129-E236 PolarHBondContact N-OE1 2.88Å; Y129-A249 HydrophobicContact CD2-CB 3.89Å; Y129-A249 HydrophobicContact CE2-CB 4.05Å; Y129-A249 HydrophobicContact CG-CB 4.43Å |
| 130 | G | 93.9 | Very high | 95.6 | Very high | 4 Ų | 4 | 28.9 Ų | 28.9 | 4% | 0.041 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 155.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | N60 G127 E236 | N60-G130 CarbonylContact O-C 3.58Å; N60-G130 WeakPolarHBondContact O-CA 3.49Å; G127-G130 WeakPolarHBondContact CA-O 3.46Å; G127-G130 PolarHBondContact N-O 3.07Å; G130-E236 PolarHBondContact N-OE2 2.76Å |
| 131 | S | 96.1 | Very high | 95.7 | Very high | 6 Ų | 6 | 18.9 Ų | 18.9 | 4% | 0.042 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 152.4 | 171.4 | 70.7 | 0 | 0 | 0 | 0 | 111.4 | A59 N60 Y125 | A59-S131 CarbonylContact C-O 3.51Å; A59-S131 VanDerWaalsContact CA-O 3.23Å; A59-S131 WeakPolarHBondContact CA-O 3.36Å; N60-S131 PolarHBondContact N-O 3.08Å; N60-S131 PolarHBondContact O-N 2.87Å; N60-S131 PolarHBondContact OD1-OG 3.06Å; Y125-S131 CarbonylContact O-C 3.59Å; Y125-S131 VanDerWaalsContact O-CA 3.24Å; Y125-S131 WeakPolarHBondContact O-CA 3.37Å; Y125-S131 WeakPolarHBondContact O-CB 3.41Å |
| 132 | I | 97.7 | Very high | 95.4 | Very high | 7 Ų | 7 | 19.9 Ų | 19.9 | 4% | 0.036 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 104.3 | 163.5 | -60.2 | 178 | 0 | 0 | 0 | 105.6 | R58 A59 Y82 L122 S123 S124 Y125 Y134 C290 L293 | R58-I132 WeakPolarHBondContact O-CA 3.2Å; A59-I132 HydrophobicContact CB-CG1 3.91Å; Y82-I132 HydrophobicContact CE2-CG2 4.01Å; L122-I132 HydrophobicContact CB-CD1 4.21Å; L122-I132 HydrophobicContact CB-CG2 4.46Å; L122-I132 HydrophobicContact CD1-CD1 4.34Å; S123-I132 WeakPolarHBondContact O-CG2 3.34Å; S124-I132 VanDerWaalsContact CA-O 3.3Å; S124-I132 WeakPolarHBondContact CA-O 3.5Å; Y125-I132 PolarHBondContact N-O 3.02Å; Y125-I132 PolarHBondContact O-N 3.06Å; I132-Y134 HydrophobicContact CG2-CE2 3.81Å; I132-C290 HydrophobicContact CD1-CB 4.13Å; I132-L293 HydrophobicContact CG1-CD2 4.16Å |
| 133 | R | 97.1 | Very high | 95 | Very high | 28 Ų | 28 | 21.9 Ų | 21.9 | 11% | 0.106 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 139 | -171.1 | -163.5 | 176.4 | -58 | 142.6 | 14.4 | 112 | G57 R58 E126 Y135 P153 F362 F376 | G57-R133 WeakPolarHBondContact CA-O 3.37Å; R58-R133 PolarHBondContact N-O 2.83Å; R58-R133 PolarHBondContact O-N 2.99Å; E126-R133 VanDerWaalsContact CD-NH2 3.28Å; E126-R133 IonicContact OE1-CZ 3.29Å; E126-R133 IonicContact OE1-NE 2.71Å; E126-R133 PolarHBondContact OE1-NE 2.71Å; E126-R133 IonicContact OE1-NH2 3.69Å; E126-R133 PolarHBondContact OE1-NH2 3.19Å; E126-R133 IonicContact OE2-CZ 2.74Å; E126-R133 IonicContact OE2-NE 3.55Å; E126-R133 IonicContact OE2-NH2 2.71Å; E126-R133 PolarHBondContact OE2-NH2 3.06Å; R133-Y135 HydrophobicContact CG-CD1 4.33Å; R133-P153 HydrophobicContact CG-CB 4.35Å; R133-F362 VanDerWaalsContact CZ-CE1 3.47Å; R133-F362 VanDerWaalsContact NH2-CE1 3.26Å; R133-F376 HydrophobicContact CG-CE1 4.35Å |
| 134 | Y | 98.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 132.6 | 173.6 | -53.1 | -83.3 | 0 | 0 | 0 | 108.8 | K56 G57 Y82 F83 L121 L122 S124 I132 P153 F154 V156 | K56-Y134 CarbonylContact O-C 3.56Å; K56-Y134 WeakPolarHBondContact O-CA 3.33Å; G57-Y134 VanDerWaalsContact CA-CD1 3.41Å; Y82-Y134 AromaticContact CD2-CE1 3.85Å; Y82-Y134 HydrophobicContact CD2-CE1 3.85Å; F83-Y134 AromaticContact CE1-CD1 3.58Å; F83-Y134 HydrophobicContact CE1-CD1 3.58Å; F83-Y134 AromaticContact CE1-CE1 3.84Å; F83-Y134 HydrophobicContact CE1-CE1 3.84Å; F83-Y134 AromaticContact CZ-CD1 3.71Å; F83-Y134 HydrophobicContact CZ-CD1 3.71Å; F83-Y134 HydrophobicContact CZ-CE1 4.43Å; L121-Y134 HydrophobicContact CB-CE1 4.28Å; L121-Y134 HydrophobicContact CD1-CE1 4.25Å; L121-Y134 HydrophobicContact CD2-CE1 4.04Å; L121-Y134 HydrophobicContact CG-CE1 4.43Å; L122-Y134 PolarHBondContact N-OH 3.01Å; L122-Y134 VanDerWaalsContact O-CE2 3.26Å; L122-Y134 WeakPolarHBondContact O-CE2 3.43Å; L122-Y134 VanDerWaalsContact O-CZ 3.32Å; L122-Y134 PolarHBondContact O-OH 2.8Å; S124-Y134 WeakPolarHBondContact OG-CD2 3.43Å; I132-Y134 HydrophobicContact CG2-CE2 3.81Å; Y134-P153 CarbonylContact O-C 3.53Å; Y134-P153 VanDerWaalsContact O-CA 3.24Å; Y134-P153 WeakPolarHBondContact O-CA 3.24Å; Y134-F154 HydrophobicContact CG-CE2 4.34Å; Y134-F154 PolarHBondContact O-N 2.9Å; Y134-V156 HydrophobicContact CD1-CG2 4.19Å; Y134-V156 HydrophobicContact CD2-CB 3.62Å; Y134-V156 HydrophobicContact CD2-CG2 3.46Å; Y134-V156 VanDerWaalsContact CD2-CG2 3.46Å; Y134-V156 HydrophobicContact CE2-CB 3.58Å; Y134-V156 HydrophobicContact CE2-CG1 4.31Å; Y134-V156 HydrophobicContact CE2-CG2 3.86Å; Y134-V156 HydrophobicContact CG-CB 4.29Å; Y134-V156 HydrophobicContact CG-CG2 3.63Å |
| 135 | Y | 96.5 | Very high | 94 | Very high | 9 Ų | 9 | 27.4 Ų | 27.4 | 4% | 0.035 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 152.3 | -177.7 | 57.5 | -86.4 | 0 | 0 | 0 | 112 | K56 R58 R133 Q137 E151 R152 | K56-Y135 HydrophobicContact CB-CD1 4.31Å; K56-Y135 HydrophobicContact CB-CD2 4.13Å; K56-Y135 HydrophobicContact CB-CE1 3.78Å; K56-Y135 HydrophobicContact CB-CE2 3.63Å; K56-Y135 HydrophobicContact CB-CG 4.48Å; K56-Y135 VanDerWaalsContact CB-CZ 3.43Å; K56-Y135 HydrophobicContact CD-CE2 3.65Å; K56-Y135 WeakPolarHBondContact CD-OH 3.24Å; K56-Y135 HydrophobicContact CG-CE2 3.94Å; K56-Y135 PolarHBondContact N-O 3.26Å; K56-Y135 PolarHBondContact O-N 2.99Å; R58-Y135 PolarHBondContact NH2-OH 3.03Å; R133-Y135 HydrophobicContact CG-CD1 4.33Å; Y135-Q137 HydrophobicContact CD2-CB 4.31Å; Y135-Q137 HydrophobicContact CE2-CB 4.49Å; Y135-E151 HydrophobicContact CD2-CG 3.56Å; Y135-E151 VanDerWaalsContact CD2-OE2 3.25Å; Y135-E151 WeakPolarHBondContact CD2-OE2 3.33Å; Y135-E151 HydrophobicContact CE2-CG 4.37Å; Y135-E151 WeakPolarHBondContact CE2-OE2 3.29Å; Y135-E151 HydrophobicContact CG-CG 3.98Å; Y135-R152 WeakPolarHBondContact CA-O 3.38Å |
| 136 | C | 97.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 122.4 | 168.7 | 178.8 | 0 | 0 | 0 | 0 | 108 | V19 F21 F55 E151 R152 | V19-C136 HydrophobicContact CG1-CB 4.03Å; F21-C136 HydrophobicContact CE1-CB 4.2Å; F21-C136 HydrophobicContact CZ-CB 4.22Å; F55-C136 HydrophobicContact CD1-CB 4.08Å; F55-C136 HydrophobicContact CE1-CB 3.78Å; F55-C136 HydrophobicContact CZ-CB 4.24Å; C136-E151 CarbonylContact O-C 3.6Å; C136-E151 WeakPolarHBondContact O-CA 3.49Å; C136-R152 PolarHBondContact N-O 2.89Å; C136-R152 PolarHBondContact O-N 2.9Å |
| 137 | Q | 95.8 | Very high | 93.3 | Very high | 38 Ų | 38 | 36.8 Ų | 36.8 | 18% | 0.178 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 116.9 | 177.5 | 175.1 | -179 | 98.2 | 0 | 0 | 109.5 | L53 L54 Y135 V139 V149 T150 E151 | L53-Q137 CarbonylContact C-O 3.6Å; L53-Q137 WeakPolarHBondContact CA-O 3.36Å; L54-Q137 HydrophobicContact CB-CB 4.16Å; L54-Q137 HydrophobicContact CD1-CG 4.49Å; L54-Q137 VanDerWaalsContact CD1-OE1 3.22Å; L54-Q137 PolarHBondContact N-O 3.07Å; L54-Q137 PolarHBondContact O-N 2.71Å; Y135-Q137 HydrophobicContact CD2-CB 4.31Å; Y135-Q137 HydrophobicContact CE2-CB 4.49Å; Q137-V139 HydrophobicContact CG-CG2 4.1Å; Q137-V149 HydrophobicContact CG-CG1 3.47Å; Q137-V149 VanDerWaalsContact CG-CG1 3.47Å; Q137-T150 CarbonylContact C-O 3.54Å; Q137-T150 VanDerWaalsContact CA-O 3.3Å; Q137-T150 WeakPolarHBondContact CA-O 3.46Å; Q137-E151 HydrophobicContact CB-CB 4.41Å; Q137-E151 HydrophobicContact CB-CG 4.38Å; Q137-E151 PolarHBondContact NE2-OE2 2.77Å; Q137-E151 VanDerWaalsContact NE2-OE2 3.12Å |
| 138 | A | 96.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 134.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | F17 V19 V38 R52 L53 V149 T150 | F17-A138 HydrophobicContact CE2-CB 3.75Å; F17-A138 HydrophobicContact CZ-CB 3.59Å; F17-A138 WeakPolarHBondContact CZ-O 3.45Å; V19-A138 HydrophobicContact CG2-CB 3.61Å; V38-A138 HydrophobicContact CG1-CB 4.19Å; V38-A138 HydrophobicContact CG2-CB 4.38Å; R52-A138 WeakPolarHBondContact O-CA 3.09Å; L53-A138 HydrophobicContact CD2-CB 3.44Å; L53-A138 VanDerWaalsContact CD2-CB 3.44Å; A138-V149 WeakPolarHBondContact O-CA 3.11Å; A138-T150 HydrophobicContact CB-CG2 3.85Å; A138-T150 PolarHBondContact N-O 2.9Å; A138-T150 PolarHBondContact O-N 3.47Å |
| 139 | V | 95.5 | Very high | 93.3 | Very high | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.012 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 120.7 | -178.7 | -175.1 | 0 | 0 | 0 | 0 | 109.7 | L51 R52 L54 Q137 N147 Y148 V149 | L51-V139 WeakPolarHBondContact CA-O 3.47Å; R52-V139 HydrophobicContact CG-CB 3.92Å; R52-V139 PolarHBondContact N-O 2.96Å; R52-V139 PolarHBondContact O-N 2.83Å; L54-V139 HydrophobicContact CD1-CG2 3.75Å; Q137-V139 HydrophobicContact CG-CG2 4.1Å; V139-N147 HydrophobicContact CG1-CB 3.84Å; V139-Y148 WeakPolarHBondContact CA-O 3.35Å; V139-V149 HydrophobicContact CG1-CG2 4.36Å; V139-V149 HydrophobicContact CG2-CG1 4.31Å; V139-V149 HydrophobicContact CG2-CG2 4.33Å |
| 140 | I | 94.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 109.2 | 166.8 | -61.9 | 164.5 | 0 | 0 | 0 | 107.5 | I14 F17 I40 L46 L48 L51 R142 N147 Y148 | I14-I140 HydrophobicContact CD1-CD1 4.05Å; F17-I140 HydrophobicContact CD1-CD1 4.36Å; F17-I140 HydrophobicContact CD2-CD1 4.04Å; F17-I140 HydrophobicContact CE1-CD1 4.12Å; F17-I140 HydrophobicContact CE1-CG1 4.26Å; F17-I140 HydrophobicContact CE2-CD1 3.77Å; F17-I140 HydrophobicContact CE2-CG1 4.01Å; F17-I140 HydrophobicContact CG-CD1 4.32Å; F17-I140 HydrophobicContact CZ-CD1 3.81Å; F17-I140 HydrophobicContact CZ-CG1 3.73Å; I40-I140 HydrophobicContact CD1-CD1 3.93Å; I40-I140 HydrophobicContact CD1-CG1 4.49Å; L46-I140 HydrophobicContact CD2-CD1 4.33Å; L46-I140 HydrophobicContact CD2-CG2 4.17Å; L48-I140 HydrophobicContact CB-CG2 3.67Å; L48-I140 HydrophobicContact CD1-CG2 4.09Å; L48-I140 HydrophobicContact CG-CG2 4.47Å; L51-I140 HydrophobicContact CD1-CG1 3.66Å; I140-R142 HydrophobicContact CG2-CG 4.3Å; I140-N147 WeakPolarHBondContact O-CA 3.48Å; I140-Y148 HydrophobicContact CB-CD2 4.49Å; I140-Y148 HydrophobicContact CG2-CD2 4.49Å; I140-Y148 PolarHBondContact N-O 2.87Å; I140-Y148 PolarHBondContact O-N 3.47Å |
| 141 | S | 92.5 | Very high | 93.3 | Very high | 15 Ų | 15 | 30.3 Ų | 30.3 | 11% | 0.105 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 138.5 | 176.7 | -50.1 | 0 | 0 | 0 | 0 | 110.5 | L48 A49 N50 N147 | L48-S141 CarbonylContact C-O 3.5Å; L48-S141 WeakPolarHBondContact CA-O 3.48Å; A49-S141 PolarHBondContact N-O 3.04Å; N50-S141 PolarHBondContact O-N 3.4Å; N50-S141 WeakPolarHBondContact OD1-CB 3.49Å; N50-S141 PolarHBondContact OD1-OG 2.82Å; S141-N147 WeakPolarHBondContact CA-OD1 3.23Å |
| 142 | R | 89.5 | Confident | 93.3 | Very high | 26 Ų | 26 | 35.2 Ų | 35.2 | 10% | 0.098 | 19% | 0.187 | C | C | . | . | trans | -130.6 | 128.9 | -176.8 | -66.4 | 171.8 | 59.2 | -155.3 | -0.6 | 110.3 | A6 I140 G144 H145 Y148 | A6-R142 PolarHBondContact O-NH2 3.01Å; I140-R142 HydrophobicContact CG2-CG 4.3Å; R142-G144 PolarHBondContact O-N 3.23Å; R142-H145 HydrophobicContact CB-CB 3.84Å; R142-H145 PolarHBondContact O-N 3.49Å; R142-Y148 VanDerWaalsContact CD-CE2 3.47Å; R142-Y148 PolarHBondContact NH1-OH 3.04Å | ||
| 143 | T | 86.4 | Confident | 93.2 | Very high | 74 Ų | 74 | 35.3 Ų | 35.3 | 45% | 0.454 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | 123.6 | -179.9 | -43.1 | 0 | 0 | 0 | 0 | 110.1 | E101 H145 | E101-T143 WeakPolarHBondContact OE1-CB 3.38Å; E101-T143 PolarHBondContact OE1-OG1 3.47Å; T143-H145 PolarHBondContact O-CD2 3.2Å; T143-H145 PolarHBondContact O-N 3.37Å |
| 144 | G | 86.1 | Confident | 93.2 | Very high | 73 Ų | 73 | 34 Ų | 34 | 75% | 0.753 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71.2 | 9.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | R142 | R142-G144 PolarHBondContact O-N 3.23Š|
| 145 | H | 87.4 | Confident | 93.2 | Very high | 64 Ų | 64 | 34 Ų | 34 | 30% | 0.296 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -131.1 | 162.7 | 178.3 | -60.2 | -57.6 | 0 | 0 | 0 | 111.8 | A6 R142 T143 | A6-H145 WeakPolarHBondContact CB-CE1 3.29Å; A6-H145 WeakPolarHBondContact CB-NE2 3.38Å; A6-H145 PolarHBondContact N-CE1 2.95Å; R142-H145 HydrophobicContact CB-CB 3.84Å; R142-H145 PolarHBondContact O-N 3.49Å; T143-H145 PolarHBondContact O-CD2 3.2Å; T143-H145 PolarHBondContact O-N 3.37Å |
| 146 | E | 88.2 | Confident | 93.3 | Very high | 148 Ų | 148 | 33.6 Ų | 33.6 | 69% | 0.692 | 18% | 0.181 | S | C | * | . | P | Polyproline II helix | trans | -63.1 | 145.4 | 170 | -62.5 | -171.2 | 145.9 | 0 | 0 | 110.7 | ||
| 147 | N | 92.1 | Very high | 93.3 | Very high | 67 Ų | 67 | 33.8 Ų | 33.8 | 36% | 0.358 | 18% | 0.182 | S | C | . | . | P | Polyproline II helix | trans | -71.1 | 143.1 | 176.5 | -61.9 | -22.4 | 0 | 0 | 0 | 109.6 | V139 I140 S141 V149 | V139-N147 HydrophobicContact CG1-CB 3.84Å; I140-N147 WeakPolarHBondContact O-CA 3.48Å; S141-N147 WeakPolarHBondContact CA-OD1 3.23Å; N147-V149 HydrophobicContact CB-CG2 4.31Å |
| 148 | Y | 92.5 | Very high | 93.1 | Very high | 26 Ų | 26 | 32.1 Ų | 32.1 | 10% | 0.102 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 135.7 | 163.1 | -60.8 | -52.3 | 0 | 0 | 0 | 109.1 | I14 L46 V139 I140 R142 P368 | I14-Y148 HydrophobicContact CD1-CD2 3.16Å; I14-Y148 HydrophobicContact CD1-CE2 3.36Å; I14-Y148 HydrophobicContact CD1-CG 3.78Å; I14-Y148 HydrophobicContact CG1-CD2 4.39Å; I14-Y148 HydrophobicContact CG1-CE2 4.17Å; L46-Y148 HydrophobicContact CD1-CE2 4.26Å; V139-Y148 WeakPolarHBondContact CA-O 3.35Å; I140-Y148 HydrophobicContact CB-CD2 4.49Å; I140-Y148 HydrophobicContact CG2-CD2 4.49Å; I140-Y148 PolarHBondContact N-O 2.87Å; I140-Y148 PolarHBondContact O-N 3.47Å; R142-Y148 VanDerWaalsContact CD-CE2 3.47Å; R142-Y148 PolarHBondContact NH1-OH 3.04Å; Y148-P368 HydrophobicContact CD1-CB 3.62Å; Y148-P368 HydrophobicContact CD1-CG 3.82Å; Y148-P368 HydrophobicContact CE1-CB 3.83Å; Y148-P368 HydrophobicContact CE1-CG 4.47Å; Y148-P368 HydrophobicContact CG-CB 4.12Å; Y148-P368 HydrophobicContact CG-CG 3.86Å |
| 149 | V | 93.6 | Very high | 92.5 | Very high | 21 Ų | 21 | 38.8 Ų | 38.8 | 13% | 0.127 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 131.2 | -176.5 | -172.5 | 0 | 0 | 0 | 0 | 109.8 | Q137 A138 V139 N147 M364 S366 N367 | Q137-V149 HydrophobicContact CG-CG1 3.47Å; Q137-V149 VanDerWaalsContact CG-CG1 3.47Å; A138-V149 WeakPolarHBondContact O-CA 3.11Å; V139-V149 HydrophobicContact CG1-CG2 4.36Å; V139-V149 HydrophobicContact CG2-CG1 4.31Å; V139-V149 HydrophobicContact CG2-CG2 4.33Å; N147-V149 HydrophobicContact CB-CG2 4.31Å; V149-M364 HydrophobicContact CB-CE 4.26Å; V149-M364 HydrophobicContact CG1-CE 3.74Å; V149-M364 WeakPolarHBondContact O-CE 3.23Å; V149-S366 PolarHBondContact N-O 2.79Å; V149-S366 CarbonylContact O-C 3.55Å; V149-N367 WeakPolarHBondContact O-CA 3.44Å; V149-N367 VanDerWaalsContact O-CB 3.26Å; V149-N367 WeakPolarHBondContact O-CB 3.36Å; V149-N367 PolarHBondContact O-N 2.87Å |
| 150 | T | 93.5 | Very high | 91.5 | Very high | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.012 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 151.9 | 167.3 | -169.4 | 0 | 0 | 0 | 0 | 108.9 | F17 V19 Q137 A138 M364 N367 | F17-T150 HydrophobicContact CD1-CG2 3.67Å; F17-T150 HydrophobicContact CD2-CG2 3.77Å; F17-T150 HydrophobicContact CE1-CG2 3.65Å; F17-T150 HydrophobicContact CE2-CG2 3.75Å; F17-T150 HydrophobicContact CG-CG2 3.75Å; F17-T150 HydrophobicContact CZ-CG2 3.69Å; F17-T150 WeakPolarHBondContact O-CB 3.41Å; F17-T150 PolarHBondContact O-OG1 2.76Å; F17-T150 VanDerWaalsContact O-OG1 3.1Å; V19-T150 HydrophobicContact CG2-CG2 4.12Å; Q137-T150 CarbonylContact C-O 3.54Å; Q137-T150 VanDerWaalsContact CA-O 3.3Å; Q137-T150 WeakPolarHBondContact CA-O 3.46Å; A138-T150 HydrophobicContact CB-CG2 3.85Å; A138-T150 PolarHBondContact N-O 2.9Å; A138-T150 PolarHBondContact O-N 3.47Å; T150-M364 VanDerWaalsContact CA-CE 3.5Å; T150-N367 PolarHBondContact OG1-ND2 3.04Å |
| 151 | E | 93.2 | Very high | 90 | Very high | 31 Ų | 31 | 44.6 Ų | 44.6 | 15% | 0.145 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 140.6 | -174.4 | -178.8 | 172.8 | 122.2 | 0 | 0 | 109.5 | Y135 C136 Q137 M364 I374 | Y135-E151 HydrophobicContact CD2-CG 3.56Å; Y135-E151 VanDerWaalsContact CD2-OE2 3.25Å; Y135-E151 WeakPolarHBondContact CD2-OE2 3.33Å; Y135-E151 HydrophobicContact CE2-CG 4.37Å; Y135-E151 WeakPolarHBondContact CE2-OE2 3.29Å; Y135-E151 HydrophobicContact CG-CG 3.98Å; C136-E151 CarbonylContact O-C 3.6Å; C136-E151 WeakPolarHBondContact O-CA 3.49Å; Q137-E151 HydrophobicContact CB-CB 4.41Å; Q137-E151 HydrophobicContact CB-CG 4.38Å; Q137-E151 PolarHBondContact NE2-OE2 2.77Å; Q137-E151 VanDerWaalsContact NE2-OE2 3.12Å; E151-M364 HydrophobicContact CB-CE 3.61Å; E151-M364 HydrophobicContact CB-SD 3.76Å; E151-M364 PolarHBondContact N-SD 2.85Å; E151-I374 HydrophobicContact CB-CD1 3.84Å; E151-I374 HydrophobicContact CG-CD1 4.42Å; E151-I374 WeakPolarHBondContact O-CD1 3.4Å |
| 152 | R | 94.8 | Very high | 88.2 | Confident | 109 Ų | 109 | 47.2 Ų | 47.2 | 41% | 0.411 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 116.7 | 174.8 | -160.3 | 81.9 | -177.7 | -165.8 | -0.4 | 110 | D18 V19 F21 Y135 C136 | D18-R152 IonicContact OD1-NH1 2.8Å; D18-R152 IonicContact OD2-NH1 3.7Å; V19-R152 HydrophobicContact CB-CB 3.76Å; V19-R152 HydrophobicContact CG1-CB 3.99Å; F21-R152 HydrophobicContact CD2-CG 3.94Å; F21-R152 HydrophobicContact CE2-CB 3.75Å; F21-R152 HydrophobicContact CE2-CG 3.28Å; F21-R152 HydrophobicContact CZ-CB 3.92Å; F21-R152 HydrophobicContact CZ-CG 3.99Å; F21-R152 WeakPolarHBondContact CZ-O 3.36Å; Y135-R152 WeakPolarHBondContact CA-O 3.38Å; C136-R152 PolarHBondContact N-O 2.89Å; C136-R152 PolarHBondContact O-N 2.9Å |
| 153 | P | 96.6 | Very high | 86.5 | Confident | 8 Ų | 8 | 48.6 Ų | 48.6 | 5% | 0.052 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 153 | 173.1 | 30 | -30.9 | 0 | 0 | 0 | 111.3 | F21 R133 Y134 I374 F376 | F21-P153 WeakPolarHBondContact CE2-O 3.43Å; R133-P153 HydrophobicContact CG-CB 4.35Å; Y134-P153 CarbonylContact O-C 3.53Å; Y134-P153 VanDerWaalsContact O-CA 3.24Å; Y134-P153 WeakPolarHBondContact O-CA 3.24Å; P153-I374 HydrophobicContact CG-CG2 3.84Å; P153-F376 HydrophobicContact CB-CB 4.21Å; P153-F376 HydrophobicContact CB-CD1 4.17Å; P153-F376 HydrophobicContact CB-CD2 3.73Å; P153-F376 HydrophobicContact CB-CE2 4.12Å; P153-F376 HydrophobicContact CB-CG 3.76Å; P153-F376 HydrophobicContact CB-CZ 4.5Å; P153-F376 HydrophobicContact CG-CB 3.55Å; P153-F376 HydrophobicContact CG-CD1 4.44Å; P153-F376 HydrophobicContact CG-CD2 3.68Å; P153-F376 HydrophobicContact CG-CG 3.63Å |
| 154 | F | 97.8 | Very high | 84.8 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 156.3 | 175.7 | 60.1 | -91 | 0 | 0 | 0 | 110.6 | F21 A26 Y28 V34 F83 L117 Y134 V156 | F21-F154 HydrophobicContact CD2-CB 4.46Å; F21-F154 HydrophobicContact CE1-CD1 4.06Å; F21-F154 HydrophobicContact CE2-CB 3.87Å; F21-F154 HydrophobicContact CE2-CD1 4.41Å; F21-F154 HydrophobicContact CZ-CB 3.94Å; F21-F154 AromaticContact CZ-CD1 3.66Å; F21-F154 HydrophobicContact CZ-CD1 3.66Å; F21-F154 HydrophobicContact CZ-CG 4.22Å; A26-F154 HydrophobicContact CB-CB 3.93Å; A26-F154 WeakPolarHBondContact O-CB 3.3Å; Y28-F154 HydrophobicContact CD2-CB 4.15Å; Y28-F154 AromaticContact CD2-CD2 3.7Å; Y28-F154 HydrophobicContact CD2-CD2 3.7Å; Y28-F154 HydrophobicContact CD2-CE2 4.44Å; Y28-F154 HydrophobicContact CD2-CG 4.19Å; Y28-F154 HydrophobicContact CE2-CB 4.11Å; Y28-F154 HydrophobicContact CE2-CD2 4.29Å; Y28-F154 HydrophobicContact CE2-CG 4.36Å; Y28-F154 HydrophobicContact CG-CD2 4.49Å; V34-F154 HydrophobicContact CG2-CE2 4.11Å; V34-F154 HydrophobicContact CG2-CZ 4.2Å; F83-F154 HydrophobicContact CZ-CZ 4.5Å; L117-F154 HydrophobicContact CD1-CE2 4.14Å; L117-F154 HydrophobicContact CD2-CE2 3.98Å; L117-F154 HydrophobicContact CD2-CZ 3.93Å; Y134-F154 HydrophobicContact CG-CE2 4.34Å; Y134-F154 PolarHBondContact O-N 2.9Å; F154-V156 HydrophobicContact CD2-CG2 3.88Å; F154-V156 HydrophobicContact CE2-CG2 3.55Å |
| 155 | T | 98.3 | Very high | 83.3 | Confident | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.012 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 127.1 | 178.9 | -58.4 | 0 | 0 | 0 | 0 | 109.7 | A26 L27 Y28 L157 V379 | A26-T155 PolarHBondContact O-N 2.91Å; L27-T155 CarbonylContact C-O 3.58Å; L27-T155 WeakPolarHBondContact CA-O 3.26Å; L27-T155 HydrophobicContact CD1-CG2 3.69Å; Y28-T155 PolarHBondContact N-O 2.97Å; T155-L157 HydrophobicContact CG2-CD2 4.29Å; T155-L157 HydrophobicContact CG2-CG 4.28Å; T155-V379 WeakPolarHBondContact CG2-O 3.41Å; T155-V379 PolarHBondContact OG1-N 3.26Å |
| 156 | V | 98.1 | Very high | 81.8 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 136.1 | 162.6 | 178.5 | 0 | 0 | 0 | 0 | 109.3 | Y28 L117 L121 S123 S124 Y134 F154 | Y28-V156 CarbonylContact O-C 3.52Å; Y28-V156 VanDerWaalsContact O-CA 3.28Å; Y28-V156 WeakPolarHBondContact O-CA 3.44Å; L117-V156 HydrophobicContact CD1-CG2 4.18Å; L121-V156 HydrophobicContact CB-CG1 3.91Å; L121-V156 HydrophobicContact CD1-CG1 4.15Å; L121-V156 HydrophobicContact CD1-CG2 4.4Å; S123-V156 CarbonylContact C-O 3.56Å; S123-V156 VanDerWaalsContact CA-O 3.31Å; S123-V156 WeakPolarHBondContact CA-O 3.12Å; S124-V156 PolarHBondContact N-O 2.71Å; S124-V156 PolarHBondContact OG-N 3.23Å; S124-V156 PolarHBondContact OG-O 2.83Å; Y134-V156 HydrophobicContact CD1-CG2 4.19Å; Y134-V156 HydrophobicContact CD2-CB 3.62Å; Y134-V156 HydrophobicContact CD2-CG2 3.46Å; Y134-V156 VanDerWaalsContact CD2-CG2 3.46Å; Y134-V156 HydrophobicContact CE2-CB 3.58Å; Y134-V156 HydrophobicContact CE2-CG1 4.31Å; Y134-V156 HydrophobicContact CE2-CG2 3.86Å; Y134-V156 HydrophobicContact CG-CB 4.29Å; Y134-V156 HydrophobicContact CG-CG2 3.63Å; F154-V156 HydrophobicContact CD2-CG2 3.88Å; F154-V156 HydrophobicContact CE2-CG2 3.55Å |
| 157 | L | 96.4 | Very high | 80.4 | Confident | 4 Ų | 4 | 43.9 Ų | 43.9 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | trans | -116.8 | 129.7 | 167.9 | -65.5 | 179 | 0 | 0 | 0 | 109.9 | L27 Y28 F29 P30 T155 L325 Y352 Y380 | L27-L157 HydrophobicContact CD1-CB 4.44Å; L27-L157 HydrophobicContact CD1-CD1 3.65Å; L27-L157 HydrophobicContact CD1-CG 3.66Å; L27-L157 HydrophobicContact CD2-CD1 4.44Å; Y28-L157 PolarHBondContact O-N 2.92Å; F29-L157 HydrophobicContact CD1-CB 4.25Å; F29-L157 WeakPolarHBondContact CD1-O 3.25Å; F29-L157 HydrophobicContact CE1-CB 3.89Å; P30-L157 VanDerWaalsContact CD-O 3.23Å; P30-L157 WeakPolarHBondContact CD-O 3.31Å; T155-L157 HydrophobicContact CG2-CD2 4.29Å; T155-L157 HydrophobicContact CG2-CG 4.28Å; L157-L325 HydrophobicContact CB-CD1 4.2Å; L157-L325 HydrophobicContact CD1-CD1 4.07Å; L157-Y352 HydrophobicContact CD1-CD1 4.18Å; L157-Y352 HydrophobicContact CD1-CE1 3.78Å; L157-Y380 HydrophobicContact CD2-CD1 3.83Å; L157-Y380 HydrophobicContact CD2-CE1 4.27Å | ||
| 158 | S | 92.3 | Very high | 79 | Confident | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.014 | 24% | 0.241 | C | C | . | . | trans | -83.7 | 147.1 | 168.9 | 124.6 | 0 | 0 | 0 | 0 | 110.1 | L121 S123 D160 C161 | L121-S158 VanDerWaalsContact O-CB 3.22Å; L121-S158 WeakPolarHBondContact O-CB 3.42Å; S123-S158 PolarHBondContact OG-N 2.88Å; S158-D160 VanDerWaalsContact C-N 3.3Å; S158-D160 WeakPolarHBondContact CB-OD1 3.36Å; S158-D160 PolarHBondContact OG-N 3.39Å; S158-D160 PolarHBondContact OG-OD1 2.92Å; S158-C161 PolarHBondContact O-SG 2.98Å; S158-C161 VanDerWaalsContact O-SG 3.34Å | ||
| 159 | R | 84.2 | Confident | 77.7 | Confident | 141 Ų | 141 | 44.6 Ų | 44.6 | 53% | 0.532 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -91.2 | 4.5 | 177.1 | -58.8 | -176.9 | -172.9 | 110 | 0.8 | 112.6 | F29 D326 | F29-R159 VanDerWaalsContact CB-NH2 3.3Å; F29-R159 HydrophobicContact CD1-CG 3.87Å; F29-R159 HydrophobicContact CE1-CG 4.24Å; R159-D326 VanDerWaalsContact C-OD1 3.3Å; R159-D326 VanDerWaalsContact O-OD1 3.07Å |
| 160 | D | 74 | Confident | 76.6 | Confident | 115 Ų | 115 | 46.7 Ų | 46.7 | 62% | 0.615 | 27% | 0.271 | S | S | * | . | trans | -134 | 44.2 | -173 | 63.3 | -26.1 | 0 | 0 | 0 | 110.4 | S158 S162 | S158-D160 VanDerWaalsContact C-N 3.3Å; S158-D160 WeakPolarHBondContact CB-OD1 3.36Å; S158-D160 PolarHBondContact OG-N 3.39Å; S158-D160 PolarHBondContact OG-OD1 2.92Å; D160-S162 VanDerWaalsContact C-N 3.33Å | ||
| 161 | C | 62.2 | Low | 75.9 | Confident | 8 Ų | 8 | 52.6 Ų | 52.6 | 5% | 0.054 | 30% | 0.302 | C | S | . | . | trans | -70.9 | -31.8 | -177.8 | -71 | 0 | 0 | 0 | 0 | 112 | S123 S158 A163 A285 D326 | S123-C161 PolarHBondContact OG-SG 2.88Å; S158-C161 PolarHBondContact O-SG 2.98Å; S158-C161 VanDerWaalsContact O-SG 3.34Å; C161-A163 PolarHBondContact O-N 3.25Å; C161-A285 HydrophobicContact CB-CB 4.04Å; C161-D326 WeakPolarHBondContact CA-OD2 3.31Å; C161-D326 WeakPolarHBondContact CB-OD2 3.33Å; C161-D326 PolarHBondContact N-OD2 2.84Å | ||
| 162 | S | 54.9 | Low | 75.5 | Confident | 71 Ų | 71 | 54.5 Ų | 54.5 | 50% | 0.497 | 31% | 0.314 | S | S | . | . | trans | -76.6 | 52.9 | -177.2 | 65 | 0 | 0 | 0 | 0 | 114.4 | D160 T164 D326 | D160-S162 VanDerWaalsContact C-N 3.33Å; S162-T164 PolarHBondContact O-N 2.89Å; S162-D326 PolarHBondContact N-OD2 2.61Å; S162-D326 PolarHBondContact OG-OD2 3.06Å | ||
| 163 | A | 53.3 | Low | 75.1 | Confident | 55 Ų | 55 | 49.8 Ų | 49.8 | 46% | 0.455 | 30% | 0.297 | S | S | . | . | trans | -68.9 | 115 | 153.3 | 0 | 0 | 0 | 0 | 0 | 107 | C161 L165 | C161-A163 PolarHBondContact O-N 3.25Å; A163-L165 PolarHBondContact O-N 3.03Å | ||
| 164 | T | 51.3 | Low | 74.8 | Confident | 68 Ų | 68 | 53.3 Ų | 53.3 | 42% | 0.417 | 32% | 0.315 | S | S | . | . | trans | -42.6 | 100.8 | -176.4 | 45.9 | 0 | 0 | 0 | 0 | 113 | S162 N166 G167 S168 | S162-T164 PolarHBondContact O-N 2.89Å; T164-N166 PolarHBondContact O-N 2.87Å; T164-G167 PolarHBondContact O-N 2.8Å; T164-S168 WeakPolarHBondContact CB-O 3.28Å; T164-S168 WeakPolarHBondContact CG2-O 3.42Å | ||
| 165 | L | 54 | Low | 74.5 | Confident | 10 Ų | 10 | 58.9 Ų | 58.9 | 5% | 0.052 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -58.3 | 126.6 | 172.4 | 162.2 | 64 | 0 | 0 | 0 | 108.6 | A163 G167 S168 E288 A296 Q320 | A163-L165 PolarHBondContact O-N 3.03Å; L165-G167 VanDerWaalsContact C-N 3.26Å; L165-G167 PolarHBondContact O-N 3.17Å; L165-S168 PolarHBondContact O-N 3.35Å; L165-E288 HydrophobicContact CB-CG 4.45Å; L165-E288 HydrophobicContact CD1-CG 3.36Å; L165-E288 VanDerWaalsContact CD1-OE1 3.28Å; L165-E288 WeakPolarHBondContact CD1-OE1 3.45Å; L165-E288 HydrophobicContact CG-CG 4.47Å; L165-A296 HydrophobicContact CD2-CB 4.17Å; L165-Q320 HydrophobicContact CD2-CG 4.28Å; L165-Q320 PolarHBondContact O-NE2 2.84Å |
| 166 | N | 57.4 | Low | 74.4 | Confident | 123 Ų | 123 | 63.4 Ų | 63.4 | 66% | 0.658 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | 59.8 | 22.3 | -178 | -57 | -48.4 | 0 | 0 | 0 | 116.2 | T164 S168 E288 | T164-N166 PolarHBondContact O-N 2.87Å; N166-S168 PolarHBondContact O-N 2.84Å; N166-E288 PolarHBondContact N-OE2 2.83Å |
| 167 | G | 57.6 | Low | 74.2 | Confident | 59 Ų | 59 | 64.1 Ų | 64.1 | 61% | 0.608 | 37% | 0.374 | S | S | * | . | G | 310 helix | trans | 71 | 7.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | T164 L165 T169 | T164-G167 PolarHBondContact O-N 2.8Å; L165-G167 VanDerWaalsContact C-N 3.26Å; L165-G167 PolarHBondContact O-N 3.17Å; G167-T169 PolarHBondContact O-N 3.01Å |
| 168 | S | 63.5 | Low | 74.3 | Confident | 41 Ų | 41 | 67.8 Ų | 67.8 | 29% | 0.287 | 40% | 0.397 | S | S | . | . | trans | -67.2 | 126.9 | 173.4 | -58.1 | 0 | 0 | 0 | 0 | 109.2 | T164 L165 N166 | T164-S168 WeakPolarHBondContact CB-O 3.28Å; T164-S168 WeakPolarHBondContact CG2-O 3.42Å; L165-S168 PolarHBondContact O-N 3.35Å; N166-S168 PolarHBondContact O-N 2.84Å | ||
| 169 | T | 65.8 | Low | 74.5 | Confident | 66 Ų | 66 | 70.5 Ų | 70.5 | 41% | 0.405 | 41% | 0.409 | S | S | . | . | trans | -70.7 | 149.8 | 175.4 | 69.6 | 0 | 0 | 0 | 0 | 109.9 | G167 L171 D172 L173 | G167-T169 PolarHBondContact O-N 3.01Å; T169-L171 PolarHBondContact O-N 3.09Å; T169-D172 PolarHBondContact O-N 3.38Å; T169-D172 VanDerWaalsContact OG1-CG 3.25Å; T169-D172 PolarHBondContact OG1-N 2.86Å; T169-D172 PolarHBondContact OG1-OD2 2.86Å; T169-L173 PolarHBondContact O-N 3.14Å | ||
| 170 | S | 70.4 | Confident | 75.2 | Confident | 65 Ų | 65 | 67.8 Ų | 67.8 | 46% | 0.455 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -26.5 | 175.3 | -52 | 0 | 0 | 0 | 0 | 112.6 | L174 | S170-L174 WeakPolarHBondContact O-CG 3.4Š|
| 171 | L | 77.3 | Confident | 76.3 | Confident | 126 Ų | 126 | 66.1 Ų | 66.1 | 66% | 0.66 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -35.8 | 176.4 | -65.5 | 178.2 | 0 | 0 | 0 | 113.3 | T169 L173 L174 | T169-L171 PolarHBondContact O-N 3.09Å; L171-L173 VanDerWaalsContact C-N 3.29Å; L171-L173 PolarHBondContact O-N 3.36Å; L171-L174 PolarHBondContact O-N 2.87Å |
| 172 | D | 85.1 | Confident | 77.9 | Confident | 71 Ų | 71 | 68.2 Ų | 68.2 | 38% | 0.38 | 42% | 0.417 | S | S | . | . | G | 310 helix | trans | -68 | -34.6 | 178.3 | -65.6 | -44.9 | 0 | 0 | 0 | 111.4 | T169 L174 K175 | T169-D172 PolarHBondContact O-N 3.38Å; T169-D172 VanDerWaalsContact OG1-CG 3.25Å; T169-D172 PolarHBondContact OG1-N 2.86Å; T169-D172 PolarHBondContact OG1-OD2 2.86Å; D172-L174 PolarHBondContact O-N 3.18Å; D172-K175 WeakPolarHBondContact O-CB 3.46Å; D172-K175 PolarHBondContact O-N 2.83Å; D172-K175 IonicContact OD1-NZ 3.68Å; D172-K175 PolarHBondContact OD1-NZ 3.39Å |
| 173 | L | 87.4 | Confident | 79.6 | Confident | 11 Ų | 11 | 69 Ų | 69 | 6% | 0.058 | 41% | 0.413 | C | S | . | . | G | 310 helix | trans | -71.2 | -16.7 | 177.8 | -60.4 | 170.4 | 0 | 0 | 0 | 113.5 | T169 L171 K202 L203 I204 Q320 | T169-L173 PolarHBondContact O-N 3.14Å; L171-L173 VanDerWaalsContact C-N 3.29Å; L171-L173 PolarHBondContact O-N 3.36Å; L173-K202 WeakPolarHBondContact O-CB 3.47Å; L173-L203 HydrophobicContact CD2-CB 4.04Å; L173-L203 PolarHBondContact O-N 2.99Å; L173-I204 HydrophobicContact CB-CB 3.92Å; L173-I204 HydrophobicContact CB-CG2 3.89Å; L173-I204 HydrophobicContact CD1-CB 4.44Å; L173-I204 HydrophobicContact CD1-CD1 4.41Å; L173-I204 PolarHBondContact O-N 2.93Å; L173-Q320 HydrophobicContact CD1-CB 4.45Å; L173-Q320 HydrophobicContact CD1-CG 4.14Å; L173-Q320 HydrophobicContact CD2-CG 4.14Å |
| 174 | L | 90.2 | Very high | 81.4 | Confident | 82 Ų | 82 | 72.1 Ų | 72.1 | 43% | 0.429 | 42% | 0.417 | S | S | . | . | G | 310 helix | trans | -86.6 | -8 | 175.8 | -69.3 | 172.1 | 0 | 0 | 0 | 113 | S170 L171 D172 K202 I204 | S170-L174 WeakPolarHBondContact O-CG 3.4Å; L171-L174 PolarHBondContact O-N 2.87Å; D172-L174 PolarHBondContact O-N 3.18Å; L174-K202 HydrophobicContact CD2-CD 4.44Å; L174-I204 HydrophobicContact CD2-CG2 3.78Å; L174-I204 HydrophobicContact CG-CG2 4.33Å |
| 175 | K | 91.2 | Very high | 82.8 | Confident | 116 Ų | 116 | 69.2 Ų | 69.2 | 50% | 0.504 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -81.9 | 148.5 | 178.5 | -64.3 | 170.8 | -173.3 | 162.4 | 0 | 110.8 | D172 P201 K202 | D172-K175 WeakPolarHBondContact O-CB 3.46Å; D172-K175 PolarHBondContact O-N 2.83Å; D172-K175 IonicContact OD1-NZ 3.68Å; D172-K175 PolarHBondContact OD1-NZ 3.39Å; K175-P201 CarbonylContact C-O 3.45Å; K175-K202 WeakPolarHBondContact O-CA 3.47Å |
| 176 | P | 95.2 | Very high | 83.9 | Confident | 97 Ų | 97 | 72 Ų | 72 | 63% | 0.63 | 42% | 0.416 | S | S | * | . | trans | -56.3 | 141.8 | 169.6 | -25 | 34.3 | 0 | 0 | 0 | 112 | L200 P201 | P176-L200 CarbonylContact C-O 3.57Å; P176-L200 VanDerWaalsContact CA-O 3.27Å; P176-L200 WeakPolarHBondContact CA-O 3.15Å; P176-P201 VanDerWaalsContact CA-O 3.31Å; P176-P201 WeakPolarHBondContact CA-O 3.5Å | ||
| 177 | A | 95.4 | Very high | 84.5 | Confident | 15 Ų | 15 | 68.7 Ų | 68.7 | 12% | 0.124 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 137.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | T199 L200 L203 | A177-T199 WeakPolarHBondContact O-CA 3.38Å; A177-L200 PolarHBondContact N-O 3.12Å; A177-L200 PolarHBondContact O-N 3.47Å; A177-L203 HydrophobicContact CB-CD1 3.74Å; A177-L203 HydrophobicContact CB-CD2 3.61Å; A177-L203 HydrophobicContact CB-CG 3.6Å |
| 178 | V | 97.4 | Very high | 85.1 | Confident | 82 Ų | 82 | 71.6 Ų | 71.6 | 50% | 0.497 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 127.1 | 177.5 | -175.1 | 0 | 0 | 0 | 0 | 108.2 | E197 V198 T199 | V178-E197 HydrophobicContact CG1-CG 3.46Å; V178-E197 VanDerWaalsContact CG1-CG 3.46Å; V178-V198 WeakPolarHBondContact CA-O 3.48Å; V178-T199 HydrophobicContact CG2-CG2 4.05Å |
| 179 | H | 97.6 | Very high | 85.6 | Confident | 58 Ų | 58 | 74.4 Ų | 74.4 | 27% | 0.269 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 141.7 | 174.3 | -72.5 | 66.9 | 0 | 0 | 0 | 108.7 | E197 V198 V317 | H179-E197 CarbonylContact O-C 3.59Å; H179-E197 WeakPolarHBondContact O-CA 3.44Å; H179-V198 PolarHBondContact N-O 2.86Å; H179-V198 PolarHBondContact O-N 2.92Å; H179-V317 HydrophobicContact CB-CG1 4.47Å; H179-V317 HydrophobicContact CB-CG2 3.69Å |
| 180 | S | 97.4 | Very high | 86.1 | Confident | 84 Ų | 84 | 72.4 Ų | 72.4 | 59% | 0.587 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 148.1 | 176.1 | 58.4 | 0 | 0 | 0 | 0 | 110.7 | C196 | S180-C196 VanDerWaalsContact CA-O 3.23Å; S180-C196 WeakPolarHBondContact CA-O 3.28Å |
| 181 | D | 97.8 | Very high | 86.6 | Confident | 81 Ų | 81 | 72.3 Ų | 72.3 | 43% | 0.433 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 163.4 | 171.5 | -151.7 | -19.5 | 0 | 0 | 0 | 109.4 | S195 C196 L313 V315 | D181-S195 VanDerWaalsContact O-CA 3.31Å; D181-S195 WeakPolarHBondContact O-CA 3.37Å; D181-C196 PolarHBondContact N-O 3.47Å; D181-C196 VanDerWaalsContact N-O 3.16Å; D181-C196 PolarHBondContact O-N 2.96Å; D181-L313 HydrophobicContact CB-CD1 4.08Å; D181-V315 HydrophobicContact CB-CG1 4.47Å; D181-V315 HydrophobicContact CB-CG2 4.08Å |
| 182 | S | 95.4 | Very high | 87.1 | Confident | 52 Ų | 52 | 66.7 Ų | 66.7 | 36% | 0.364 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 141.9 | -179.3 | 69.5 | 0 | 0 | 0 | 0 | 112.7 | I194 | S182-I194 CarbonylContact C-O 3.55Å; S182-I194 WeakPolarHBondContact CA-O 3.47Å; S182-I194 VanDerWaalsContact CB-O 3.31Å; S182-I194 WeakPolarHBondContact CB-O 3.47Å |
| 183 | E | 92.1 | Very high | 87.5 | Confident | 86 Ų | 86 | 67.3 Ų | 67.3 | 40% | 0.402 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 139 | 179.3 | -175.1 | 59.2 | -148.1 | 0 | 0 | 109.7 | V185 I194 L313 | E183-V185 PolarHBondContact O-N 2.87Å; E183-I194 PolarHBondContact N-O 3.4Å; E183-I194 PolarHBondContact O-N 3.2Å; E183-L313 HydrophobicContact CB-CB 4.14Å; E183-L313 HydrophobicContact CB-CD1 3.92Å |
| 184 | K | 89.2 | Confident | 87.7 | Confident | 122 Ų | 122 | 66.8 Ų | 66.8 | 53% | 0.53 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 110.6 | 177.4 | -174.9 | 179.5 | 179.6 | 176.3 | 0 | 109.7 | T186 | K184-T186 HydrophobicContact CD-CG2 4.49Å; K184-T186 HydrophobicContact CG-CG2 4.29Å |
| 185 | V | 80.6 | Confident | 88 | Confident | 6 Ų | 6 | 64.6 Ų | 64.6 | 4% | 0.036 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 121.8 | 175.3 | 177.1 | 0 | 0 | 0 | 0 | 111 | E183 S191 G192 I194 Q311 | E183-V185 PolarHBondContact O-N 2.87Å; V185-S191 CarbonylContact O-C 3.58Å; V185-S191 VanDerWaalsContact O-CA 3.28Å; V185-S191 WeakPolarHBondContact O-CA 3.5Å; V185-G192 PolarHBondContact N-O 3.37Å; V185-G192 PolarHBondContact O-N 2.87Å; V185-I194 HydrophobicContact CB-CD1 4.01Å; V185-I194 HydrophobicContact CB-CG1 4.39Å; V185-I194 HydrophobicContact CG2-CD1 3.33Å; V185-I194 HydrophobicContact CG2-CG1 3.87Å; V185-Q311 VanDerWaalsContact CA-OE1 3.27Å |
| 186 | T | 77.1 | Confident | 88.3 | Confident | 70 Ų | 70 | 59.1 Ų | 59.1 | 43% | 0.429 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 127.4 | 179.6 | 57.5 | 0 | 0 | 0 | 0 | 111.3 | K184 | K184-T186 HydrophobicContact CD-CG2 4.49Å; K184-T186 HydrophobicContact CG-CG2 4.29Å |
| 187 | S | 70.4 | Confident | 88.5 | Confident | 53 Ų | 53 | 58.4 Ų | 58.4 | 37% | 0.371 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 170.2 | 167.9 | 73.6 | 0 | 0 | 0 | 0 | 110.7 | C189 S190 | S187-C189 PolarHBondContact O-N 2.92Å; S187-S190 PolarHBondContact N-O 3.47Å; S187-S190 PolarHBondContact O-N 2.85Å; S187-S190 PolarHBondContact OG-O 3.42Å; S187-S190 PolarHBondContact OG-OG 2.82Å |
| 188 | C | 71.3 | Confident | 88.6 | Confident | 119 Ų | 119 | 57.7 Ų | 57.7 | 80% | 0.804 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -22.9 | -174.1 | 57.8 | 0 | 0 | 0 | 0 | 115.1 | ||
| 189 | C | 73.2 | Confident | 88.7 | Confident | 100 Ų | 100 | 55.8 Ų | 55.8 | 68% | 0.676 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.3 | 10.6 | -176.8 | -55.6 | 0 | 0 | 0 | 0 | 113.9 | S187 R222 | S187-C189 PolarHBondContact O-N 2.92Å; C189-R222 VanDerWaalsContact C-NH2 3.3Å; C189-R222 PolarHBondContact O-NH2 2.7Å |
| 190 | S | 76.2 | Confident | 88.7 | Confident | 24 Ų | 24 | 53.1 Ų | 53.1 | 17% | 0.168 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.7 | 147 | 176.3 | 50.7 | 0 | 0 | 0 | 0 | 112.6 | S187 R222 | S187-S190 PolarHBondContact N-O 3.47Å; S187-S190 PolarHBondContact O-N 2.85Å; S187-S190 PolarHBondContact OG-O 3.42Å; S187-S190 PolarHBondContact OG-OG 2.82Å; S190-R222 PolarHBondContact OG-NE 2.85Å; S190-R222 PolarHBondContact OG-NH2 3.09Å |
| 191 | S | 81.7 | Confident | 88.7 | Confident | 64 Ų | 64 | 52.2 Ų | 52.2 | 45% | 0.448 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 149.5 | 159.6 | 59.2 | 0 | 0 | 0 | 0 | 110.8 | V185 | V185-S191 CarbonylContact O-C 3.58Å; V185-S191 VanDerWaalsContact O-CA 3.28Å; V185-S191 WeakPolarHBondContact O-CA 3.5Å |
| 192 | G | 87.3 | Confident | 88.6 | Confident | 8 Ų | 8 | 50 Ų | 50 | 8% | 0.082 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 146.6 | 169 | 0 | 0 | 0 | 0 | 0 | 110.5 | V185 D220 | V185-G192 PolarHBondContact N-O 3.37Å; V185-G192 PolarHBondContact O-N 2.87Å; G192-D220 WeakPolarHBondContact CA-O 3.27Å |
| 193 | L | 92.6 | Very high | 88.6 | Confident | 83 Ų | 83 | 49 Ų | 49 | 44% | 0.435 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 139.6 | 173.3 | -168.8 | 67.4 | 0 | 0 | 0 | 108.7 | D220 | L193-D220 WeakPolarHBondContact O-CA 3.19Å; L193-D220 VanDerWaalsContact O-CB 3.32Å; L193-D220 WeakPolarHBondContact O-CB 3.23Å; L193-D220 PolarHBondContact O-N 2.89Å |
| 194 | I | 92.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 129.1 | 172.3 | -57.6 | -169.3 | 0 | 0 | 0 | 106.5 | S182 E183 V185 V218 N219 F305 L313 | S182-I194 CarbonylContact C-O 3.55Å; S182-I194 WeakPolarHBondContact CA-O 3.47Å; S182-I194 VanDerWaalsContact CB-O 3.31Å; S182-I194 WeakPolarHBondContact CB-O 3.47Å; E183-I194 PolarHBondContact N-O 3.4Å; E183-I194 PolarHBondContact O-N 3.2Å; V185-I194 HydrophobicContact CB-CD1 4.01Å; V185-I194 HydrophobicContact CB-CG1 4.39Å; V185-I194 HydrophobicContact CG2-CD1 3.33Å; V185-I194 HydrophobicContact CG2-CG1 3.87Å; I194-V218 WeakPolarHBondContact CA-O 3.35Å; I194-N219 WeakPolarHBondContact CD1-OD1 3.38Å; I194-F305 HydrophobicContact CB-CZ 4.26Å; I194-F305 HydrophobicContact CD1-CD1 3.4Å; I194-F305 VanDerWaalsContact CD1-CD1 3.4Å; I194-F305 HydrophobicContact CD1-CD2 3.78Å; I194-F305 HydrophobicContact CD1-CE1 3.4Å; I194-F305 VanDerWaalsContact CD1-CE1 3.4Å; I194-F305 HydrophobicContact CD1-CE2 3.78Å; I194-F305 HydrophobicContact CD1-CG 3.62Å; I194-F305 HydrophobicContact CD1-CZ 3.63Å; I194-F305 HydrophobicContact CG1-CE1 4.42Å; I194-F305 HydrophobicContact CG1-CZ 4.47Å; I194-F305 HydrophobicContact CG2-CE1 3.69Å; I194-F305 HydrophobicContact CG2-CE2 3.69Å; I194-F305 HydrophobicContact CG2-CZ 3.13Å; I194-L313 HydrophobicContact CG2-CD2 4.15Å |
| 195 | S | 96.4 | Very high | 88.9 | Confident | 37 Ų | 37 | 39.9 Ų | 39.9 | 26% | 0.259 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 150.4 | 174.3 | 63.6 | 0 | 0 | 0 | 0 | 111.5 | D181 V217 V218 | D181-S195 VanDerWaalsContact O-CA 3.31Å; D181-S195 WeakPolarHBondContact O-CA 3.37Å; S195-V217 WeakPolarHBondContact O-CA 3.32Å; S195-V218 PolarHBondContact N-O 3.31Å; S195-V218 PolarHBondContact O-N 2.87Å |
| 196 | C | 97.9 | Very high | 89.6 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.007 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 127.7 | 171.7 | -179.3 | 0 | 0 | 0 | 0 | 108.5 | S180 D181 V216 V217 L303 L313 V315 | S180-C196 VanDerWaalsContact CA-O 3.23Å; S180-C196 WeakPolarHBondContact CA-O 3.28Å; D181-C196 PolarHBondContact N-O 3.47Å; D181-C196 VanDerWaalsContact N-O 3.16Å; D181-C196 PolarHBondContact O-N 2.96Å; C196-V216 CarbonylContact C-O 3.59Å; C196-V216 WeakPolarHBondContact CA-O 3.45Å; C196-V217 HydrophobicContact CB-CG2 4.08Å; C196-L303 HydrophobicContact CB-CD1 4.14Å; C196-L303 HydrophobicContact CB-CD2 3.9Å; C196-L313 HydrophobicContact CB-CD2 3.79Å; C196-V315 HydrophobicContact CB-CG2 3.74Å |
| 197 | E | 98.4 | Very high | 90.5 | Very high | 81 Ų | 81 | 37.2 Ų | 37.2 | 38% | 0.379 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 134 | 168.6 | -178.2 | -178.9 | 93.7 | 0 | 0 | 108.8 | V178 H179 L215 V216 | V178-E197 HydrophobicContact CG1-CG 3.46Å; V178-E197 VanDerWaalsContact CG1-CG 3.46Å; H179-E197 CarbonylContact O-C 3.59Å; H179-E197 WeakPolarHBondContact O-CA 3.44Å; E197-L215 CarbonylContact O-C 3.54Å; E197-L215 WeakPolarHBondContact O-CA 3.4Å; E197-V216 HydrophobicContact CB-CB 4.29Å; E197-V216 PolarHBondContact N-O 3.47Å; E197-V216 PolarHBondContact O-N 3.3Å |
| 198 | V | 98.3 | Very high | 91.8 | Very high | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 121.7 | -177.8 | -174.2 | 0 | 0 | 0 | 0 | 107.9 | V178 H179 A213 L215 L299 L301 V315 V317 | V178-V198 WeakPolarHBondContact CA-O 3.48Å; H179-V198 PolarHBondContact N-O 2.86Å; H179-V198 PolarHBondContact O-N 2.92Å; V198-A213 HydrophobicContact CG1-CB 4.12Å; V198-L215 HydrophobicContact CB-CD2 4.34Å; V198-L215 HydrophobicContact CG1-CD2 3.94Å; V198-L215 HydrophobicContact CG2-CD2 4.03Å; V198-L299 HydrophobicContact CG1-CD2 4.37Å; V198-L301 HydrophobicContact CB-CD1 4.38Å; V198-L301 HydrophobicContact CG1-CD1 4.09Å; V198-L301 HydrophobicContact CG2-CD1 3.35Å; V198-L301 HydrophobicContact CG2-CG 4.31Å; V198-V315 HydrophobicContact CG2-CB 4.31Å; V198-V315 HydrophobicContact CG2-CG1 3.88Å; V198-V317 HydrophobicContact CB-CG2 4.41Å; V198-V317 HydrophobicContact CG1-CG2 4.41Å |
| 199 | T | 98.4 | Very high | 93 | Very high | 42 Ų | 42 | 31.8 Ų | 31.8 | 26% | 0.258 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 116.5 | 176.5 | -57.9 | 0 | 0 | 0 | 0 | 109.4 | A177 V178 A213 S214 | A177-T199 WeakPolarHBondContact O-CA 3.38Å; V178-T199 HydrophobicContact CG2-CG2 4.05Å; T199-A213 WeakPolarHBondContact O-CA 3.34Å; T199-S214 PolarHBondContact N-O 2.86Å; T199-S214 PolarHBondContact O-N 2.88Å |
| 200 | L | 98.3 | Very high | 94.1 | Very high | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 142.6 | 170.9 | -66.4 | 173.4 | 0 | 0 | 0 | 109.7 | P176 A177 K202 L203 V211 A213 L299 V317 | P176-L200 CarbonylContact C-O 3.57Å; P176-L200 VanDerWaalsContact CA-O 3.27Å; P176-L200 WeakPolarHBondContact CA-O 3.15Å; A177-L200 PolarHBondContact N-O 3.12Å; A177-L200 PolarHBondContact O-N 3.47Å; L200-K202 WeakPolarHBondContact CB-O 3.31Å; L200-K202 PolarHBondContact O-N 2.82Å; L200-L203 HydrophobicContact CD1-CD2 4.04Å; L200-V211 HydrophobicContact CD2-CG1 4.15Å; L200-A213 HydrophobicContact CD2-CB 3.64Å; L200-L299 HydrophobicContact CD1-CD2 4.13Å; L200-L299 HydrophobicContact CD2-CD2 4.15Å; L200-V317 HydrophobicContact CD1-CB 4.49Å; L200-V317 HydrophobicContact CD1-CG1 3.72Å |
| 201 | P | 97.1 | Very high | 95.2 | Very high | 66 Ų | 66 | 28.1 Ų | 28.1 | 43% | 0.429 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -69 | -21 | 176.2 | 28.1 | -34.9 | 0 | 0 | 0 | 113.1 | K175 P176 V212 | K175-P201 CarbonylContact C-O 3.45Å; P176-P201 VanDerWaalsContact CA-O 3.31Å; P176-P201 WeakPolarHBondContact CA-O 3.5Å; P201-V212 WeakPolarHBondContact CD-O 3.22Å |
| 202 | K | 95.3 | Very high | 96 | Very high | 34 Ų | 34 | 27.5 Ų | 27.5 | 15% | 0.148 | 16% | 0.163 | C | C | . | . | trans | -161 | 166.8 | 178.8 | 58.3 | 178 | -178.3 | 149.6 | 0 | 110 | L173 L174 K175 L200 I204 Y205 E209 | L173-K202 WeakPolarHBondContact O-CB 3.47Å; L174-K202 HydrophobicContact CD2-CD 4.44Å; K175-K202 WeakPolarHBondContact O-CA 3.47Å; L200-K202 WeakPolarHBondContact CB-O 3.31Å; L200-K202 PolarHBondContact O-N 2.82Å; K202-I204 WeakPolarHBondContact CD-O 3.23Å; K202-I204 WeakPolarHBondContact CE-O 3.44Å; K202-I204 PolarHBondContact NZ-O 3.15Å; K202-Y205 HydrophobicContact CG-CE1 4.24Å; K202-Y205 HydrophobicContact CG-CE2 4.41Å; K202-Y205 VanDerWaalsContact O-CE2 3.28Å; K202-Y205 WeakPolarHBondContact O-CE2 3.16Å; K202-Y205 PolarHBondContact O-OH 3.05Å; K202-E209 WeakPolarHBondContact CE-OE1 3.46Å; K202-E209 IonicContact NZ-OE1 3.36Å; K202-E209 PolarHBondContact NZ-OE1 2.95Å; K202-E209 IonicContact NZ-OE2 3.14Å; K202-E209 PolarHBondContact NZ-OE2 2.81Å | ||
| 203 | L | 95.3 | Very high | 96.5 | Very high | 31 Ų | 31 | 27.1 Ų | 27.1 | 16% | 0.162 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -108.2 | -0.2 | 176.1 | -66.2 | 179.2 | 0 | 0 | 0 | 113.5 | L173 A177 L200 V317 L319 Q320 | L173-L203 HydrophobicContact CD2-CB 4.04Å; L173-L203 PolarHBondContact O-N 2.99Å; A177-L203 HydrophobicContact CB-CD1 3.74Å; A177-L203 HydrophobicContact CB-CD2 3.61Å; A177-L203 HydrophobicContact CB-CG 3.6Å; L200-L203 HydrophobicContact CD1-CD2 4.04Å; L203-V317 HydrophobicContact CD2-CG1 3.97Å; L203-L319 CarbonylContact O-C 3.6Å; L203-L319 WeakPolarHBondContact O-CA 3.34Å; L203-L319 WeakPolarHBondContact O-CB 3.25Å; L203-Q320 PolarHBondContact O-N 2.7Å |
| 204 | I | 93.7 | Very high | 96.8 | Very high | 13 Ų | 13 | 24.7 Ų | 24.7 | 7% | 0.067 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 126.6 | 173 | -171.2 | 165.6 | 0 | 0 | 0 | 112.4 | L173 L174 K202 Y206 Q320 | L173-I204 HydrophobicContact CB-CB 3.92Å; L173-I204 HydrophobicContact CB-CG2 3.89Å; L173-I204 HydrophobicContact CD1-CB 4.44Å; L173-I204 HydrophobicContact CD1-CD1 4.41Å; L173-I204 PolarHBondContact O-N 2.93Å; L174-I204 HydrophobicContact CD2-CG2 3.78Å; L174-I204 HydrophobicContact CG-CG2 4.33Å; K202-I204 WeakPolarHBondContact CD-O 3.23Å; K202-I204 WeakPolarHBondContact CE-O 3.44Å; K202-I204 PolarHBondContact NZ-O 3.15Å; I204-Y206 WeakPolarHBondContact CD1-OH 3.49Å; I204-Y206 HydrophobicContact CG1-CE2 4.19Å; I204-Q320 WeakPolarHBondContact CA-O 3.49Å; I204-Q320 HydrophobicContact CG1-CB 4.42Å |
| 205 | Y | 95 | Very high | 97 | Very high | 3 Ų | 3 | 24.7 Ų | 24.7 | 1% | 0.012 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 159.9 | 179.6 | -65.3 | -88.1 | 0 | 0 | 0 | 111.3 | K202 E209 V211 L319 Q320 I321 G322 | K202-Y205 HydrophobicContact CG-CE1 4.24Å; K202-Y205 HydrophobicContact CG-CE2 4.41Å; K202-Y205 VanDerWaalsContact O-CE2 3.28Å; K202-Y205 WeakPolarHBondContact O-CE2 3.16Å; K202-Y205 PolarHBondContact O-OH 3.05Å; Y205-E209 WeakPolarHBondContact CA-OE2 3.42Å; Y205-E209 HydrophobicContact CD1-CG 4.3Å; Y205-V211 HydrophobicContact CD1-CG2 3.75Å; Y205-V211 HydrophobicContact CD2-CG2 4.42Å; Y205-V211 HydrophobicContact CE1-CB 4.3Å; Y205-V211 HydrophobicContact CE1-CG1 4.17Å; Y205-V211 HydrophobicContact CE1-CG2 3.98Å; Y205-V211 HydrophobicContact CE2-CG1 4.39Å; Y205-V211 HydrophobicContact CG-CG2 3.98Å; Y205-L319 HydrophobicContact CD2-CD2 4.45Å; Y205-Q320 PolarHBondContact N-O 3.44Å; Y205-I321 CarbonylContact O-C 3.59Å; Y205-I321 VanDerWaalsContact O-CA 3.29Å; Y205-I321 WeakPolarHBondContact O-CA 3.32Å; Y205-G322 PolarHBondContact O-N 3.23Å |
| 206 | Y | 94.9 | Very high | 97.1 | Very high | 18 Ų | 18 | 24.5 Ų | 24.5 | 7% | 0.071 | 15% | 0.146 | C | C | . | . | trans | -123.7 | 147.7 | -177.2 | -59.5 | -90 | 0 | 0 | 0 | 110.8 | I204 G208 E209 M327 | I204-Y206 WeakPolarHBondContact CD1-OH 3.49Å; I204-Y206 HydrophobicContact CG1-CE2 4.19Å; Y206-G208 PolarHBondContact O-N 3.08Å; Y206-E209 WeakPolarHBondContact CD2-OE2 3.48Å; Y206-E209 PolarHBondContact N-OE2 2.93Å; Y206-E209 VanDerWaalsContact N-OE2 3.13Å; Y206-E209 WeakPolarHBondContact O-CB 3.24Å; Y206-E209 PolarHBondContact O-N 2.82Å; Y206-M327 HydrophobicContact CD1-CG 3.95Å; Y206-M327 HydrophobicContact CD1-SD 3.75Å; Y206-M327 HydrophobicContact CD2-CE 4.43Å; Y206-M327 HydrophobicContact CD2-SD 3.57Å; Y206-M327 VanDerWaalsContact CD2-SD 3.57Å; Y206-M327 HydrophobicContact CE1-CG 3.76Å; Y206-M327 HydrophobicContact CE1-SD 3.35Å; Y206-M327 WeakPolarHBondContact CE1-SD 3.07Å; Y206-M327 HydrophobicContact CE2-CE 4.28Å; Y206-M327 HydrophobicContact CE2-SD 3.17Å; Y206-M327 WeakPolarHBondContact CE2-SD 3.31Å; Y206-M327 HydrophobicContact CG-CG 4.42Å; Y206-M327 HydrophobicContact CG-SD 3.85Å; Y206-M327 PolarHBondContact OH-SD 3.05Å | ||
| 207 | P | 97 | Very high | 97.1 | Very high | 2 Ų | 2 | 24.4 Ų | 24.4 | 1% | 0.013 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | 130.3 | 172.1 | -28.3 | 37 | 0 | 0 | 0 | 111.8 | V280 P281 I321 G322 V382 L383 | P207-V280 HydrophobicContact CG-CG1 4.4Å; P207-P281 WeakPolarHBondContact CB-O 3.25Å; P207-I321 HydrophobicContact CG-CG2 4.18Å; P207-G322 WeakPolarHBondContact CD-O 3.45Å; P207-V382 HydrophobicContact CB-CB 4.34Å; P207-V382 HydrophobicContact CB-CG1 4.34Å; P207-V382 HydrophobicContact CB-CG2 3.95Å; P207-L383 WeakPolarHBondContact O-CB 3.24Å; P207-L383 WeakPolarHBondContact O-CG 3.49Å; P207-L383 PolarHBondContact O-N 2.76Å |
| 208 | G | 97.1 | Very high | 97 | Very high | 21 Ų | 21 | 22.3 Ų | 22.3 | 22% | 0.216 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 92.3 | -12 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y206 T279 V280 | Y206-G208 PolarHBondContact O-N 3.08Å; G208-T279 WeakPolarHBondContact O-CG2 3.35Å; G208-V280 PolarHBondContact N-O 3.28Å |
| 209 | E | 95.8 | Very high | 96.8 | Very high | 38 Ų | 38 | 22.2 Ų | 22.2 | 18% | 0.178 | 14% | 0.138 | C | C | . | . | P | Polyproline II helix | trans | -83.1 | 139.9 | 178.1 | -168.3 | 173.4 | -166.8 | 0 | 0 | 112.4 | K202 Y205 Y206 T279 V280 L383 | K202-E209 WeakPolarHBondContact CE-OE1 3.46Å; K202-E209 IonicContact NZ-OE1 3.36Å; K202-E209 PolarHBondContact NZ-OE1 2.95Å; K202-E209 IonicContact NZ-OE2 3.14Å; K202-E209 PolarHBondContact NZ-OE2 2.81Å; Y205-E209 WeakPolarHBondContact CA-OE2 3.42Å; Y205-E209 HydrophobicContact CD1-CG 4.3Å; Y206-E209 WeakPolarHBondContact CD2-OE2 3.48Å; Y206-E209 PolarHBondContact N-OE2 2.93Å; Y206-E209 VanDerWaalsContact N-OE2 3.13Å; Y206-E209 WeakPolarHBondContact O-CB 3.24Å; Y206-E209 PolarHBondContact O-N 2.82Å; E209-T279 WeakPolarHBondContact O-CA 3.43Å; E209-V280 PolarHBondContact O-N 2.88Å; E209-L383 HydrophobicContact CB-CD1 4.44Å |
| 210 | A | 97.5 | Very high | 96.6 | Very high | 46 Ų | 46 | 23.7 Ų | 23.7 | 38% | 0.38 | 14% | 0.144 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 129.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | F276 | A210-F276 HydrophobicContact CB-CD2 4.13Å; A210-F276 HydrophobicContact CB-CE2 3.87Å |
| 211 | V | 98.1 | Very high | 96.2 | Very high | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.006 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 116.4 | 170.7 | -175.8 | 0 | 0 | 0 | 0 | 108.5 | L200 Y205 L277 F278 V280 | L200-V211 HydrophobicContact CD2-CG1 4.15Å; Y205-V211 HydrophobicContact CD1-CG2 3.75Å; Y205-V211 HydrophobicContact CD2-CG2 4.42Å; Y205-V211 HydrophobicContact CE1-CB 4.3Å; Y205-V211 HydrophobicContact CE1-CG1 4.17Å; Y205-V211 HydrophobicContact CE1-CG2 3.98Å; Y205-V211 HydrophobicContact CE2-CG1 4.39Å; Y205-V211 HydrophobicContact CG-CG2 3.98Å; V211-L277 HydrophobicContact CG1-CD1 4.23Å; V211-L277 PolarHBondContact O-N 2.93Å; V211-F278 HydrophobicContact CB-CD2 4.1Å; V211-F278 HydrophobicContact CB-CE2 3.8Å; V211-F278 HydrophobicContact CB-CZ 4.2Å; V211-F278 HydrophobicContact CG1-CE2 4.37Å; V211-F278 HydrophobicContact CG1-CZ 4.3Å; V211-F278 HydrophobicContact CG2-CD2 3.89Å; V211-F278 HydrophobicContact CG2-CE2 3.41Å; V211-F278 VanDerWaalsContact CG2-CE2 3.41Å; V211-F278 HydrophobicContact CG2-CZ 4.14Å; V211-F278 PolarHBondContact N-O 2.8Å; V211-V280 HydrophobicContact CG2-CG2 3.77Å |
| 212 | V | 98.1 | Very high | 95.9 | Very high | 50 Ų | 50 | 27.6 Ų | 27.6 | 30% | 0.303 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 140.3 | 175.2 | -62.4 | 0 | 0 | 0 | 0 | 109.8 | P201 E275 | P201-V212 WeakPolarHBondContact CD-O 3.22Å; V212-E275 CarbonylContact C-O 3.57Å; V212-E275 VanDerWaalsContact CA-O 3.25Å; V212-E275 WeakPolarHBondContact CA-O 3.19Å |
| 213 | A | 98.3 | Very high | 95.6 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.008 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 151.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | V198 T199 L200 L215 N274 E275 L277 | V198-A213 HydrophobicContact CG1-CB 4.12Å; T199-A213 WeakPolarHBondContact O-CA 3.34Å; L200-A213 HydrophobicContact CD2-CB 3.64Å; A213-L215 HydrophobicContact CB-CD2 4.17Å; A213-N274 CarbonylContact O-C 3.52Å; A213-N274 PolarHBondContact O-N 3.37Å; A213-E275 PolarHBondContact N-O 2.94Å; A213-E275 PolarHBondContact O-N 2.7Å; A213-L277 HydrophobicContact CB-CD1 3.76Å; A213-L277 HydrophobicContact CB-CD2 4.5Å; A213-L277 HydrophobicContact CB-CG 4.2Å |
| 214 | S | 98.5 | Very high | 95.4 | Very high | 32 Ų | 32 | 27 Ų | 27 | 22% | 0.224 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 129.8 | 166.7 | -62.8 | 0 | 0 | 0 | 0 | 109.7 | T199 W272 N274 | T199-S214 PolarHBondContact N-O 2.86Å; T199-S214 PolarHBondContact O-N 2.88Å; S214-W272 WeakPolarHBondContact CA-O 3.41Å; S214-N274 PolarHBondContact OG-N 2.89Å |
| 215 | L | 98.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 131.4 | -176.2 | -49.8 | -177.7 | 0 | 0 | 0 | 110.3 | E197 V198 A213 L260 S271 W272 L301 | E197-L215 CarbonylContact O-C 3.54Å; E197-L215 WeakPolarHBondContact O-CA 3.4Å; V198-L215 HydrophobicContact CB-CD2 4.34Å; V198-L215 HydrophobicContact CG1-CD2 3.94Å; V198-L215 HydrophobicContact CG2-CD2 4.03Å; A213-L215 HydrophobicContact CB-CD2 4.17Å; L215-L260 HydrophobicContact CD1-CD1 3.92Å; L215-S271 CarbonylContact O-C 3.5Å; L215-S271 VanDerWaalsContact O-CA 3.3Å; L215-S271 WeakPolarHBondContact O-CA 3.23Å; L215-W272 HydrophobicContact CB-CB 4.38Å; L215-W272 HydrophobicContact CB-CE3 4.22Å; L215-W272 PolarHBondContact N-O 3.37Å; L215-W272 PolarHBondContact O-N 3.21Å; L215-L301 HydrophobicContact CD1-CD1 4.27Å; L215-L301 HydrophobicContact CD2-CD1 3.38Å; L215-L301 HydrophobicContact CG-CD1 4.47Å |
| 216 | V | 98.2 | Very high | 95.3 | Very high | 32 Ų | 32 | 29 Ų | 29 | 19% | 0.194 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 114.3 | 170.3 | -177.2 | 0 | 0 | 0 | 0 | 108.6 | C196 E197 | C196-V216 CarbonylContact C-O 3.59Å; C196-V216 WeakPolarHBondContact CA-O 3.45Å; E197-V216 HydrophobicContact CB-CB 4.29Å; E197-V216 PolarHBondContact N-O 3.47Å; E197-V216 PolarHBondContact O-N 3.3Å |
| 217 | V | 97.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 129.8 | 179.8 | -179.8 | 0 | 0 | 0 | 0 | 109.9 | S195 C196 L225 L264 K269 K270 W272 L303 | S195-V217 WeakPolarHBondContact O-CA 3.32Å; C196-V217 HydrophobicContact CB-CG2 4.08Å; V217-L225 HydrophobicContact CG1-CD2 4.49Å; V217-L264 HydrophobicContact CB-CD2 4.04Å; V217-L264 HydrophobicContact CG1-CD2 3.69Å; V217-K269 VanDerWaalsContact O-CA 3.31Å; V217-K269 WeakPolarHBondContact O-CA 3.47Å; V217-K270 PolarHBondContact N-O 2.9Å; V217-K270 PolarHBondContact O-N 3.28Å; V217-W272 HydrophobicContact CB-CZ3 3.83Å; V217-W272 HydrophobicContact CG2-CE3 4.37Å; V217-W272 HydrophobicContact CG2-CZ3 3.62Å; V217-L303 HydrophobicContact CG1-CD2 4.01Å; V217-L303 HydrophobicContact CG2-CD2 3.66Å |
| 218 | V | 96.9 | Very high | 95.2 | Very high | 36 Ų | 36 | 32.5 Ų | 32.5 | 22% | 0.218 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 117.9 | 171.7 | -175.3 | 0 | 0 | 0 | 0 | 107.7 | I194 S195 K269 | I194-V218 WeakPolarHBondContact CA-O 3.35Å; S195-V218 PolarHBondContact N-O 3.31Å; S195-V218 PolarHBondContact O-N 2.87Å; V218-K269 HydrophobicContact CG2-CB 4.44Å; V218-K269 HydrophobicContact CG2-CD 4.04Å; V218-K269 HydrophobicContact CG2-CG 4.02Å |
| 219 | N | 94.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 90.6 | 179.1 | -179.1 | 9.5 | 0 | 0 | 0 | 109.7 | I194 S221 S223 L264 S265 R267 S268 | I194-N219 WeakPolarHBondContact CD1-OD1 3.38Å; N219-S221 PolarHBondContact O-N 2.9Å; N219-S221 WeakPolarHBondContact OD1-CA 3.32Å; N219-S221 VanDerWaalsContact OD1-CB 3.31Å; N219-S221 WeakPolarHBondContact OD1-CB 3.44Å; N219-S221 PolarHBondContact OD1-N 2.93Å; N219-S221 PolarHBondContact OD1-OG 2.53Å; N219-S223 PolarHBondContact ND2-O 2.61Å; N219-L264 HydrophobicContact CB-CD2 3.92Å; N219-L264 HydrophobicContact CB-CG 4.48Å; N219-S265 PolarHBondContact ND2-O 2.73Å; N219-R267 CarbonylContact O-C 3.52Å; N219-R267 WeakPolarHBondContact O-CA 3.2Å; N219-R267 PolarHBondContact O-N 2.82Å; N219-S268 PolarHBondContact N-O 3.2Å; N219-S268 PolarHBondContact O-N 2.68Å; N219-S268 VanDerWaalsContact O-N 3.08Å |
| 220 | D | 93.2 | Very high | 95.4 | Very high | 73 Ų | 73 | 29.8 Ų | 29.8 | 39% | 0.39 | 16% | 0.163 | S | C | . | . | trans | -83.3 | 10.4 | 173.1 | -65 | -35.5 | 0 | 0 | 0 | 112.1 | G192 L193 R267 | G192-D220 WeakPolarHBondContact CA-O 3.27Å; L193-D220 WeakPolarHBondContact O-CA 3.19Å; L193-D220 VanDerWaalsContact O-CB 3.32Å; L193-D220 WeakPolarHBondContact O-CB 3.23Å; L193-D220 PolarHBondContact O-N 2.89Å; D220-R267 WeakPolarHBondContact O-CD 3Å; D220-R267 PolarHBondContact O-NE 2.87Å; D220-R267 PolarHBondContact O-NH1 2.77Å; D220-R267 PolarHBondContact O-NH2 3.34Å | ||
| 221 | S | 90.4 | Very high | 95.5 | Very high | 2 Ų | 2 | 29.4 Ų | 29.4 | 1% | 0.014 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -88.7 | 173.6 | 171.4 | 91.5 | 0 | 0 | 0 | 0 | 111.7 | N219 S223 G266 R267 | N219-S221 PolarHBondContact O-N 2.9Å; N219-S221 WeakPolarHBondContact OD1-CA 3.32Å; N219-S221 VanDerWaalsContact OD1-CB 3.31Å; N219-S221 WeakPolarHBondContact OD1-CB 3.44Å; N219-S221 PolarHBondContact OD1-N 2.93Å; N219-S221 PolarHBondContact OD1-OG 2.53Å; S221-S223 PolarHBondContact OG-N 3.19Å; S221-S223 PolarHBondContact OG-O 3.08Å; S221-G266 CarbonylContact O-C 3.57Å; S221-G266 WeakPolarHBondContact O-CA 3.38Å; S221-R267 PolarHBondContact O-N 2.98Å |
| 222 | R | 89.8 | Confident | 95.5 | Very high | 146 Ų | 146 | 29.4 Ų | 29.4 | 55% | 0.551 | 15% | 0.152 | S | C | * | . | S | Bend | trans | -89.2 | -11.7 | 167.8 | -70.2 | -169.7 | -73.2 | -167 | -2.8 | 112.8 | C189 S190 | C189-R222 VanDerWaalsContact C-NH2 3.3Å; C189-R222 PolarHBondContact O-NH2 2.7Å; S190-R222 PolarHBondContact OG-NE 2.85Å; S190-R222 PolarHBondContact OG-NH2 3.09Å |
| 223 | S | 90.2 | Very high | 95.5 | Very high | 16 Ų | 16 | 28 Ų | 28 | 11% | 0.112 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -80.8 | 124 | -179.1 | -73.4 | 0 | 0 | 0 | 0 | 109.6 | N219 S221 A306 | N219-S223 PolarHBondContact ND2-O 2.61Å; S221-S223 PolarHBondContact OG-N 3.19Å; S221-S223 PolarHBondContact OG-O 3.08Å; S223-A306 VanDerWaalsContact CB-O 3.25Å; S223-A306 WeakPolarHBondContact CB-O 3.48Å; S223-A306 PolarHBondContact OG-O 3.04Å |
| 224 | A | 91.5 | Very high | 95.5 | Very high | 38 Ų | 38 | 28 Ų | 28 | 31% | 0.314 | 14% | 0.142 | S | C | . | . | P | Polyproline II helix | trans | -68.4 | 142.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | T226 L264 F305 A306 | A224-T226 PolarHBondContact O-N 3.23Å; A224-L264 CarbonylContact C-O 3.54Å; A224-L264 WeakPolarHBondContact CA-O 3.34Å; A224-F305 CarbonylContact O-C 3.43Å; A224-F305 WeakPolarHBondContact O-CA 3.46Å; A224-A306 PolarHBondContact O-N 3.18Å |
| 225 | L | 93.1 | Very high | 95.5 | Very high | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 118.5 | 165.8 | 178.3 | 68.2 | 0 | 0 | 0 | 108.6 | V217 R227 I228 L264 W272 L303 V304 F305 | V217-L225 HydrophobicContact CG1-CD2 4.49Å; L225-R227 WeakPolarHBondContact CD1-O 3.49Å; L225-I228 HydrophobicContact CD1-CG1 4.22Å; L225-I228 HydrophobicContact CD2-CD1 3.86Å; L225-I228 HydrophobicContact CD2-CG1 3.83Å; L225-I228 HydrophobicContact CG-CG1 4.31Å; L225-L264 HydrophobicContact CB-CB 3.74Å; L225-L264 HydrophobicContact CD2-CB 3.88Å; L225-L264 HydrophobicContact CG-CB 4.47Å; L225-L264 PolarHBondContact N-O 2.79Å; L225-L264 PolarHBondContact O-N 3.45Å; L225-W272 HydrophobicContact CD2-CH2 4.06Å; L225-L303 HydrophobicContact CD1-CB 3.72Å; L225-L303 HydrophobicContact CD1-CD2 4.07Å; L225-L303 HydrophobicContact CD1-CG 4.14Å; L225-L303 HydrophobicContact CD2-CD2 4.46Å; L225-V304 WeakPolarHBondContact CD1-O 3.45Å; L225-F305 HydrophobicContact CB-CD1 3.95Å; L225-F305 HydrophobicContact CB-CE1 3.6Å; L225-F305 HydrophobicContact CB-CZ 4.4Å; L225-F305 HydrophobicContact CD1-CD1 4.13Å; L225-F305 HydrophobicContact CD1-CE1 3.52Å; L225-F305 HydrophobicContact CD1-CE2 4.07Å; L225-F305 HydrophobicContact CD1-CZ 3.45Å; L225-F305 VanDerWaalsContact CD1-CZ 3.45Å; L225-F305 HydrophobicContact CG-CE1 4.13Å; L225-F305 HydrophobicContact CG-CZ 4.46Å |
| 226 | T | 92.4 | Very high | 95.4 | Very high | 54 Ų | 54 | 28.2 Ų | 28.2 | 33% | 0.331 | 14% | 0.141 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | -23.9 | -176.3 | 50.4 | 0 | 0 | 0 | 0 | 113 | A224 R263 V304 A306 | A224-T226 PolarHBondContact O-N 3.23Å; T226-R263 VanDerWaalsContact O-CD 3.22Å; T226-R263 WeakPolarHBondContact O-CD 3.4Å; T226-R263 PolarHBondContact O-NE 2.83Å; T226-R263 PolarHBondContact O-NH1 2.83Å; T226-R263 VanDerWaalsContact O-NH1 3.1Å; T226-V304 PolarHBondContact N-O 2.88Å; T226-V304 PolarHBondContact OG1-O 2.91Å; T226-A306 HydrophobicContact CG2-CB 3.74Å |
| 227 | R | 93.7 | Very high | 95.2 | Very high | 94 Ų | 94 | 27.8 Ų | 27.8 | 36% | 0.355 | 14% | 0.138 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.5 | 142.8 | -175.5 | -179.9 | -178.8 | -66.1 | -118.6 | -19.4 | 110.3 | L225 T229 E259 L303 V304 | L225-R227 WeakPolarHBondContact CD1-O 3.49Å; R227-T229 WeakPolarHBondContact CD-OG1 3.24Å; R227-E259 HydrophobicContact CG-CG 4.05Å; R227-E259 IonicContact CZ-OE1 3.47Å; R227-E259 IonicContact CZ-OE2 3.36Å; R227-E259 IonicContact NE-OE1 2.7Å; R227-E259 PolarHBondContact NE-OE1 2.81Å; R227-E259 IonicContact NE-OE2 2.9Å; R227-E259 VanDerWaalsContact NH1-CD 3.28Å; R227-E259 IonicContact NH1-OE1 2.67Å; R227-E259 IonicContact NH1-OE2 3.47Å; R227-E259 PolarHBondContact NH1-OE2 3.34Å; R227-E259 IonicContact NH2-OE1 2.95Å; R227-E259 PolarHBondContact NH2-OE1 2.93Å; R227-E259 IonicContact NH2-OE2 3.08Å; R227-E259 PolarHBondContact NH2-OE2 3.31Å; R227-L303 WeakPolarHBondContact O-CA 3.28Å; R227-V304 HydrophobicContact CB-CB 4.23Å; R227-V304 PolarHBondContact N-O 2.97Å; R227-V304 PolarHBondContact O-N 3.02Å |
| 228 | I | 97 | Very high | 95 | Very high | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 128.1 | 162.3 | -49.2 | -179 | 0 | 0 | 0 | 106.8 | L225 L260 K262 W272 E302 L303 | L225-I228 HydrophobicContact CD1-CG1 4.22Å; L225-I228 HydrophobicContact CD2-CD1 3.86Å; L225-I228 HydrophobicContact CD2-CG1 3.83Å; L225-I228 HydrophobicContact CG-CG1 4.31Å; I228-L260 HydrophobicContact CB-CB 4.24Å; I228-L260 HydrophobicContact CB-CD1 4.24Å; I228-L260 HydrophobicContact CB-CG 4.48Å; I228-L260 HydrophobicContact CG2-CD1 3.89Å; I228-L260 HydrophobicContact CG2-CG 4.48Å; I228-L260 PolarHBondContact O-N 3.21Å; I228-K262 HydrophobicContact CD1-CB 3.83Å; I228-K262 HydrophobicContact CD1-CG 4.45Å; I228-K262 HydrophobicContact CG1-CB 4.3Å; I228-W272 HydrophobicContact CD1-CH2 4.33Å; I228-W272 HydrophobicContact CD1-CZ3 4.11Å; I228-E302 CarbonylContact C-O 3.57Å; I228-E302 WeakPolarHBondContact CA-O 3.18Å; I228-L303 HydrophobicContact CG1-CG 4.17Å; I228-L303 HydrophobicContact CG2-CD1 4.35Å; I228-L303 HydrophobicContact CG2-CG 4.23Å |
| 229 | T | 98.1 | Very high | 94.8 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.006 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 124.5 | 176.1 | -54.7 | 0 | 0 | 0 | 0 | 109.2 | R227 R231 E257 T258 L301 E302 | R227-T229 WeakPolarHBondContact CD-OG1 3.24Å; T229-R231 HydrophobicContact CG2-CG 4.15Å; T229-E257 HydrophobicContact CG2-CG 3.37Å; T229-T258 WeakPolarHBondContact CA-O 3.43Å; T229-L301 WeakPolarHBondContact O-CA 3.06Å; T229-E302 PolarHBondContact N-O 2.87Å; T229-E302 PolarHBondContact O-N 2.84Å |
| 230 | A | 98.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 132.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | E257 T258 L277 F278 L299 Q300 L301 | A230-E257 WeakPolarHBondContact O-CA 3.44Å; A230-T258 PolarHBondContact N-O 3.49Å; A230-T258 PolarHBondContact O-N 2.91Å; A230-L277 HydrophobicContact CB-CB 4.05Å; A230-L277 HydrophobicContact CB-CD1 4.43Å; A230-L277 HydrophobicContact CB-CD2 4.07Å; A230-L277 HydrophobicContact CB-CG 4.41Å; A230-F278 HydrophobicContact CB-CD1 4.48Å; A230-L299 HydrophobicContact CB-CD1 4.49Å; A230-Q300 CarbonylContact C-O 3.46Å; A230-Q300 WeakPolarHBondContact CA-O 3.41Å; A230-L301 HydrophobicContact CB-CD2 3.51Å |
| 231 | R | 98.6 | Very high | 94.2 | Very high | 38 Ų | 38 | 30.2 Ų | 30.2 | 14% | 0.143 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 137.7 | 178.2 | -58.2 | -180 | -177.9 | 103.9 | 2.4 | 111 | T229 M233 V256 E257 L299 Q300 E302 | T229-R231 HydrophobicContact CG2-CG 4.15Å; R231-M233 HydrophobicContact CB-SD 3.98Å; R231-V256 VanDerWaalsContact CA-O 3.3Å; R231-V256 WeakPolarHBondContact CA-O 3.49Å; R231-E257 HydrophobicContact CG-CB 4.22Å; R231-E257 HydrophobicContact CG-CG 4.02Å; R231-E257 IonicContact CZ-OE2 3.91Å; R231-E257 IonicContact NE-OE2 2.76Å; R231-E257 PolarHBondContact NE-OE2 3.14Å; R231-E257 IonicContact NH2-OE2 2.77Å; R231-E257 PolarHBondContact NH2-OE2 3.36Å; R231-L299 CarbonylContact O-C 3.5Å; R231-L299 WeakPolarHBondContact O-CA 3.41Å; R231-Q300 HydrophobicContact CB-CB 4.34Å; R231-Q300 PolarHBondContact N-O 3.45Å; R231-Q300 PolarHBondContact O-N 2.92Å; R231-E302 IonicContact CZ-OE1 2.99Å; R231-E302 IonicContact CZ-OE2 3.87Å; R231-E302 IonicContact NH1-OE1 2.67Å; R231-E302 PolarHBondContact NH1-OE1 3.38Å; R231-E302 IonicContact NH1-OE2 3.53Å; R231-E302 PolarHBondContact NH1-OE2 3.33Å; R231-E302 IonicContact NH2-OE1 2.98Å; R231-E302 PolarHBondContact NH2-OE1 2.77Å; R231-E302 VanDerWaalsContact NH2-OE1 3.14Å; R231-E302 IonicContact NH2-OE2 3.59Å |
| 232 | L | 98.8 | Very high | 94 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 126.6 | 160.1 | 179.5 | 58.2 | 0 | 0 | 0 | 107.8 | V255 V256 F278 V280 L283 Y297 L319 I321 | L232-V255 HydrophobicContact CB-CB 4.06Å; L232-V255 HydrophobicContact CB-CG1 4.42Å; L232-V255 HydrophobicContact CD2-CB 4.23Å; L232-V255 HydrophobicContact CD2-CG1 3.9Å; L232-V255 HydrophobicContact CD2-CG2 4.49Å; L232-V255 HydrophobicContact CG-CB 4.01Å; L232-V255 HydrophobicContact CG-CG1 4.25Å; L232-V255 HydrophobicContact CG-CG2 4.16Å; L232-V255 VanDerWaalsContact O-CB 3.29Å; L232-V255 WeakPolarHBondContact O-CB 3.41Å; L232-V255 PolarHBondContact O-N 2.85Å; L232-V256 HydrophobicContact CB-CG1 3.81Å; L232-V256 PolarHBondContact N-O 2.8Å; L232-V256 VanDerWaalsContact N-O 3.13Å; L232-F278 HydrophobicContact CB-CE1 4.18Å; L232-F278 HydrophobicContact CB-CE2 3.84Å; L232-F278 HydrophobicContact CB-CZ 3.65Å; L232-F278 HydrophobicContact CD1-CZ 4.47Å; L232-F278 HydrophobicContact CD2-CE2 4.08Å; L232-F278 HydrophobicContact CG-CE2 4.4Å; L232-F278 HydrophobicContact CG-CZ 4.46Å; L232-V280 HydrophobicContact CD2-CG1 4.32Å; L232-L283 HydrophobicContact CD2-CD1 4.22Å; L232-Y297 HydrophobicContact CD1-CD1 4.19Å; L232-Y297 HydrophobicContact CG-CD1 4.42Å; L232-L319 HydrophobicContact CD1-CD1 4.01Å; L232-I321 HydrophobicContact CD2-CD1 4.34Å |
| 233 | M | 98.5 | Very high | 93.8 | Very high | 22 Ų | 22 | 36.4 Ų | 36.4 | 11% | 0.108 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 137.7 | 176.8 | -54.7 | -60.4 | -67.7 | 0 | 0 | 109.6 | R231 S252 R253 Y297 E298 Q300 | R231-M233 HydrophobicContact CB-SD 3.98Å; M233-S252 WeakPolarHBondContact CE-OG 3.45Å; M233-R253 WeakPolarHBondContact CA-O 3.42Å; M233-Y297 VanDerWaalsContact O-CA 3.24Å; M233-Y297 WeakPolarHBondContact O-CA 3.39Å; M233-Y297 WeakPolarHBondContact O-CD1 3.43Å; M233-E298 HydrophobicContact CB-CG 3.71Å; M233-E298 HydrophobicContact CG-CG 4.23Å; M233-E298 PolarHBondContact N-O 3.28Å; M233-E298 PolarHBondContact O-N 3.26Å; M233-E298 VanDerWaalsContact O-N 3.09Å; M233-Q300 HydrophobicContact CG-CB 4.46Å; M233-Q300 VanDerWaalsContact CG-CD 3.47Å; M233-Q300 HydrophobicContact CG-CG 3.7Å |
| 234 | Q | 98.3 | Very high | 93.4 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 124.8 | 166.8 | -171.6 | -170 | 90.3 | 0 | 0 | 109.2 | Y125 S252 R253 V255 I295 Y297 F357 | Y125-Q234 PolarHBondContact OH-OE1 2.84Å; Q234-S252 CarbonylContact O-C 3.57Å; Q234-S252 WeakPolarHBondContact O-CA 3.2Å; Q234-R253 HydrophobicContact CB-CG 3.96Å; Q234-R253 PolarHBondContact N-O 2.83Å; Q234-R253 PolarHBondContact O-N 3.18Å; Q234-V255 HydrophobicContact CB-CG2 3.94Å; Q234-I295 HydrophobicContact CG-CG2 3.99Å; Q234-Y297 HydrophobicContact CB-CD1 3.84Å; Q234-Y297 HydrophobicContact CB-CE1 3.52Å; Q234-Y297 HydrophobicContact CG-CD1 4Å; Q234-Y297 HydrophobicContact CG-CE1 3.45Å; Q234-Y297 VanDerWaalsContact CG-CE1 3.45Å; Q234-Y297 HydrophobicContact CG-CE2 4.48Å; Q234-Y297 PolarHBondContact NE2-OH 2.71Å; Q234-F357 HydrophobicContact CB-CZ 4.47Å |
| 235 | N | 97.3 | Very high | 93 | Very high | 32 Ų | 32 | 45.1 Ų | 45.1 | 17% | 0.171 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 119.7 | 178.1 | -63.5 | -30.8 | 0 | 0 | 0 | 109.6 | S251 S252 A296 E298 | N235-S251 CarbonylContact C-O 3.55Å; N235-S251 WeakPolarHBondContact CA-O 3.28Å; N235-S252 VanDerWaalsContact OD1-CB 3.28Å; N235-S252 WeakPolarHBondContact OD1-CB 3.39Å; N235-S252 PolarHBondContact OD1-OG 2.85Å; N235-A296 HydrophobicContact CB-CB 4.39Å; N235-A296 PolarHBondContact N-O 3.13Å; N235-A296 PolarHBondContact O-N 3.46Å; N235-E298 PolarHBondContact ND2-OE2 3.17Å |
| 236 | E | 95.7 | Very high | 92.8 | Very high | 4 Ų | 4 | 47.9 Ų | 47.9 | 2% | 0.019 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 130.8 | 172.2 | 176.6 | -171.4 | 65.1 | 0 | 0 | 108.5 | G127 K128 Y129 G130 A250 S251 L293 H294 | G127-E236 VanDerWaalsContact CA-OE2 3.29Å; G127-E236 WeakPolarHBondContact CA-OE2 3.3Å; K128-E236 PolarHBondContact N-OE1 3.45Å; K128-E236 PolarHBondContact N-OE2 2.79Å; Y129-E236 WeakPolarHBondContact CD2-OE1 3.48Å; Y129-E236 PolarHBondContact N-OE1 2.88Å; G130-E236 PolarHBondContact N-OE2 2.76Å; E236-A250 CarbonylContact O-C 3.59Å; E236-A250 VanDerWaalsContact O-CA 3.27Å; E236-A250 WeakPolarHBondContact O-CA 3.44Å; E236-S251 PolarHBondContact N-O 2.86Å; E236-S251 PolarHBondContact O-N 2.77Å; E236-L293 HydrophobicContact CG-CD1 3.67Å; E236-H294 WeakPolarHBondContact CA-O 3.44Å |
| 237 | T | 94.7 | Very high | 92.7 | Very high | 22 Ų | 22 | 52.5 Ų | 52.5 | 14% | 0.135 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 121.2 | 172 | -60.3 | 0 | 0 | 0 | 0 | 109.9 | I239 K247 L293 H294 | T237-I239 HydrophobicContact CG2-CG1 4.19Å; T237-K247 HydrophobicContact CG2-CB 4.15Å; T237-K247 HydrophobicContact CG2-CD 3.71Å; T237-K247 HydrophobicContact CG2-CG 3.65Å; T237-L293 WeakPolarHBondContact O-CA 3.29Å; T237-H294 PolarHBondContact N-O 3.18Å; T237-H294 PolarHBondContact O-N 3.39Å |
| 238 | C | 94.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 133.3 | 172.2 | -58.2 | 0 | 0 | 0 | 0 | 109.7 | F61 I64 V248 A249 I292 | F61-C238 HydrophobicContact CB-CB 4.4Å; F61-C238 HydrophobicContact CD1-CB 3.76Å; F61-C238 HydrophobicContact CE1-CB 4.12Å; F61-C238 HydrophobicContact CG-CB 4.03Å; I64-C238 HydrophobicContact CD1-CB 3.81Å; C238-V248 HydrophobicContact CB-CG2 3.73Å; C238-V248 VanDerWaalsContact O-CG2 3.29Å; C238-V248 WeakPolarHBondContact O-CG2 3.17Å; C238-V248 PolarHBondContact O-N 2.86Å; C238-A249 HydrophobicContact CB-CB 4.15Å; C238-A249 PolarHBondContact N-O 2.88Å; C238-A249 PolarHBondContact O-N 2.81Å; C238-I292 WeakPolarHBondContact CA-O 3.48Å |
| 239 | I | 92.4 | Very high | 92.3 | Very high | 10 Ų | 10 | 51 Ų | 51 | 5% | 0.051 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 139.2 | -174.6 | -58.9 | -180 | 0 | 0 | 0 | 110.3 | F61 T237 K241 V246 I292 H294 | F61-I239 WeakPolarHBondContact CE1-O 3.26Å; T237-I239 HydrophobicContact CG2-CG1 4.19Å; I239-K241 PolarHBondContact O-N 2.67Å; I239-V246 WeakPolarHBondContact CA-O 3.48Å; I239-I292 PolarHBondContact N-O 2.98Å; I239-H294 WeakPolarHBondContact CD1-CE1 3.49Å; I239-H294 WeakPolarHBondContact CD1-NE2 3.46Å |
| 240 | S | 89.1 | Confident | 92.1 | Very high | 22 Ų | 22 | 54.1 Ų | 54.1 | 15% | 0.154 | 29% | 0.291 | C | S | . | . | trans | -60.5 | 128.1 | 175.6 | 179.5 | 0 | 0 | 0 | 0 | 111 | L242 E243 V246 | S240-L242 VanDerWaalsContact C-N 3.27Å; S240-L242 PolarHBondContact O-N 2.92Å; S240-L242 PolarHBondContact OG-N 2.67Å; S240-E243 WeakPolarHBondContact CB-O 3.47Å; S240-E243 CarbonylContact O-C 3.59Å; S240-E243 PolarHBondContact OG-N 2.79Å; S240-E243 VanDerWaalsContact OG-N 3.14Å; S240-V246 PolarHBondContact N-O 3.4Å | ||
| 241 | K | 85.4 | Confident | 91.9 | Very high | 128 Ų | 128 | 54.9 Ų | 54.9 | 56% | 0.557 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -68.8 | -26.8 | 170.7 | -175 | 177.3 | -177.4 | 176.9 | 0 | 112.6 | C78 E79 I239 I292 | C78-K241 VanDerWaalsContact SG-CB 3.58Å; E79-K241 PolarHBondContact O-NZ 3.3Å; I239-K241 PolarHBondContact O-N 2.67Å; K241-I292 HydrophobicContact CB-CG2 4.14Å |
| 242 | L | 86.1 | Confident | 91.8 | Very high | 159 Ų | 159 | 56 Ų | 56 | 83% | 0.832 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -84.2 | -34.1 | -178 | -61.6 | 176.6 | 0 | 0 | 0 | 112.1 | S240 | S240-L242 VanDerWaalsContact C-N 3.27Å; S240-L242 PolarHBondContact O-N 2.92Å; S240-L242 PolarHBondContact OG-N 2.67Å |
| 243 | E | 85.3 | Confident | 91.7 | Very high | 119 Ų | 119 | 58.2 Ų | 58.2 | 56% | 0.556 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -127.1 | 94.7 | -177.6 | -67 | 176.1 | -159.5 | 0 | 0 | 108.9 | S240 N245 V246 | S240-E243 WeakPolarHBondContact CB-O 3.47Å; S240-E243 CarbonylContact O-C 3.59Å; S240-E243 PolarHBondContact OG-N 2.79Å; S240-E243 VanDerWaalsContact OG-N 3.14Å; E243-N245 PolarHBondContact O-N 2.9Å; E243-V246 HydrophobicContact CB-CB 3.94Å; E243-V246 HydrophobicContact CB-CG2 3.6Å; E243-V246 WeakPolarHBondContact O-CB 3.35Å; E243-V246 PolarHBondContact O-N 2.97Å; E243-V246 VanDerWaalsContact O-N 3.12Å; E243-V246 WeakPolarHBondContact OE2-CG2 3.44Å |
| 244 | P | 82.2 | Confident | 91.7 | Very high | 101 Ų | 101 | 59.5 Ų | 59.5 | 66% | 0.656 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | 142 | 178.8 | -26.4 | 34.4 | 0 | 0 | 0 | 111.8 | V246 | P244-V246 PolarHBondContact O-N 2.91Š|
| 245 | N | 82.7 | Confident | 91.7 | Very high | 137 Ų | 137 | 60.2 Ų | 60.2 | 73% | 0.733 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.6 | -1.4 | -177.7 | -49.1 | -50.1 | 0 | 0 | 0 | 116.2 | E243 K247 | E243-N245 PolarHBondContact O-N 2.9Å; N245-K247 PolarHBondContact O-N 2.79Å |
| 246 | V | 89.6 | Confident | 91.8 | Very high | 60 Ų | 60 | 60.7 Ų | 60.7 | 36% | 0.364 | 35% | 0.346 | S | S | . | . | trans | -81.7 | 111.5 | 172.3 | 177.1 | 0 | 0 | 0 | 0 | 109.6 | I239 S240 E243 P244 V248 | I239-V246 WeakPolarHBondContact CA-O 3.48Å; S240-V246 PolarHBondContact N-O 3.4Å; E243-V246 HydrophobicContact CB-CB 3.94Å; E243-V246 HydrophobicContact CB-CG2 3.6Å; E243-V246 WeakPolarHBondContact O-CB 3.35Å; E243-V246 PolarHBondContact O-N 2.97Å; E243-V246 VanDerWaalsContact O-N 3.12Å; E243-V246 WeakPolarHBondContact OE2-CG2 3.44Å; P244-V246 PolarHBondContact O-N 2.91Å; V246-V248 PolarHBondContact O-N 3.17Å | ||
| 247 | K | 90.6 | Very high | 91.9 | Very high | 150 Ų | 150 | 66 Ų | 66 | 65% | 0.652 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 120.2 | 176.1 | -57 | -174 | -178.8 | -173.9 | 0 | 109.6 | T237 N245 | T237-K247 HydrophobicContact CG2-CB 4.15Å; T237-K247 HydrophobicContact CG2-CD 3.71Å; T237-K247 HydrophobicContact CG2-CG 3.65Å; N245-K247 PolarHBondContact O-N 2.79Å |
| 248 | V | 90.6 | Very high | 92 | Very high | 48 Ų | 48 | 66.7 Ų | 66.7 | 29% | 0.291 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | -28.4 | 177.3 | -65.9 | 0 | 0 | 0 | 0 | 112.4 | F61 I64 C238 V246 | F61-V248 HydrophobicContact CE1-CG2 4.13Å; F61-V248 HydrophobicContact CE2-CG2 4.08Å; F61-V248 HydrophobicContact CZ-CG2 3.68Å; I64-V248 HydrophobicContact CD1-CG2 3.79Å; I64-V248 WeakPolarHBondContact CG2-O 3.23Å; C238-V248 HydrophobicContact CB-CG2 3.73Å; C238-V248 VanDerWaalsContact O-CG2 3.29Å; C238-V248 WeakPolarHBondContact O-CG2 3.17Å; C238-V248 PolarHBondContact O-N 2.86Å; V246-V248 PolarHBondContact O-N 3.17Å |
| 249 | A | 91.8 | Very high | 92.2 | Very high | 16 Ų | 16 | 70.7 Ų | 70.7 | 13% | 0.132 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 155.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | I64 Y129 C238 | I64-A249 HydrophobicContact CB-CB 4.43Å; I64-A249 HydrophobicContact CD1-CB 3.55Å; I64-A249 HydrophobicContact CG1-CB 3.77Å; I64-A249 HydrophobicContact CG2-CB 3.85Å; Y129-A249 HydrophobicContact CD2-CB 3.89Å; Y129-A249 HydrophobicContact CE2-CB 4.05Å; Y129-A249 HydrophobicContact CG-CB 4.43Å; C238-A249 HydrophobicContact CB-CB 4.15Å; C238-A249 PolarHBondContact N-O 2.88Å; C238-A249 PolarHBondContact O-N 2.81Å |
| 250 | A | 93.4 | Very high | 92.4 | Very high | 67 Ų | 67 | 70.7 Ų | 70.7 | 55% | 0.554 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 143.7 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | E236 | E236-A250 CarbonylContact O-C 3.59Å; E236-A250 VanDerWaalsContact O-CA 3.27Å; E236-A250 WeakPolarHBondContact O-CA 3.44Å |
| 251 | S | 94.8 | Very high | 92.5 | Very high | 15 Ų | 15 | 75.9 Ų | 75.9 | 11% | 0.105 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 144.8 | 175.7 | 166.8 | 0 | 0 | 0 | 0 | 108.9 | K128 N235 E236 | K128-S251 WeakPolarHBondContact CD-OG 3.47Å; N235-S251 CarbonylContact C-O 3.55Å; N235-S251 WeakPolarHBondContact CA-O 3.28Å; E236-S251 PolarHBondContact N-O 2.86Å; E236-S251 PolarHBondContact O-N 2.77Å |
| 252 | S | 96.2 | Very high | 92.9 | Very high | 61 Ų | 61 | 72 Ų | 72 | 43% | 0.427 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 134.7 | 169.2 | -169.1 | 0 | 0 | 0 | 0 | 108.9 | M233 Q234 N235 | M233-S252 WeakPolarHBondContact CE-OG 3.45Å; Q234-S252 CarbonylContact O-C 3.57Å; Q234-S252 WeakPolarHBondContact O-CA 3.2Å; N235-S252 VanDerWaalsContact OD1-CB 3.28Å; N235-S252 WeakPolarHBondContact OD1-CB 3.39Å; N235-S252 PolarHBondContact OD1-OG 2.85Å |
| 253 | R | 97 | Very high | 93.3 | Very high | 49 Ų | 49 | 69.6 Ų | 69.6 | 19% | 0.185 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 134.1 | 178 | 61.2 | 178.7 | 178.6 | 178.9 | -0.7 | 111.1 | E126 M233 Q234 F357 | E126-R253 PolarHBondContact O-NH1 2.96Å; E126-R253 PolarHBondContact O-NH2 3.43Å; M233-R253 WeakPolarHBondContact CA-O 3.42Å; Q234-R253 HydrophobicContact CB-CG 3.96Å; Q234-R253 PolarHBondContact N-O 2.83Å; Q234-R253 PolarHBondContact O-N 3.18Å; R253-F357 HydrophobicContact CB-CE1 4.44Å; R253-F357 HydrophobicContact CG-CE1 3.92Å; R253-F357 HydrophobicContact CG-CE2 4.38Å; R253-F357 HydrophobicContact CG-CZ 3.63Å |
| 254 | G | 97.9 | Very high | 93.7 | Very high | 49 Ų | 49 | 64.5 Ų | 64.5 | 51% | 0.505 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 128 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 255 | V | 98.4 | Very high | 94.3 | Very high | 16 Ų | 16 | 63.4 Ų | 63.4 | 10% | 0.097 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | -50.9 | 179.4 | 168.6 | 0 | 0 | 0 | 0 | 110.7 | L232 Q234 P281 L283 Y297 V356 F357 | L232-V255 HydrophobicContact CB-CB 4.06Å; L232-V255 HydrophobicContact CB-CG1 4.42Å; L232-V255 HydrophobicContact CD2-CB 4.23Å; L232-V255 HydrophobicContact CD2-CG1 3.9Å; L232-V255 HydrophobicContact CD2-CG2 4.49Å; L232-V255 HydrophobicContact CG-CB 4.01Å; L232-V255 HydrophobicContact CG-CG1 4.25Å; L232-V255 HydrophobicContact CG-CG2 4.16Å; L232-V255 VanDerWaalsContact O-CB 3.29Å; L232-V255 WeakPolarHBondContact O-CB 3.41Å; L232-V255 PolarHBondContact O-N 2.85Å; Q234-V255 HydrophobicContact CB-CG2 3.94Å; V255-P281 HydrophobicContact CG1-CG 3.27Å; V255-L283 HydrophobicContact CB-CD1 4.21Å; V255-L283 HydrophobicContact CG1-CD1 3.36Å; V255-L283 HydrophobicContact CG1-CD2 4.42Å; V255-L283 HydrophobicContact CG1-CG 4.21Å; V255-L283 HydrophobicContact CG2-CD1 3.78Å; V255-L283 HydrophobicContact CG2-CD2 4.37Å; V255-Y297 HydrophobicContact CG2-CE1 4.4Å; V255-V356 HydrophobicContact CG1-CG1 4.25Å; V255-F357 HydrophobicContact CB-CZ 4.45Å; V255-F357 HydrophobicContact CG2-CE2 4.41Å; V255-F357 HydrophobicContact CG2-CZ 3.68Å |
| 256 | V | 98.4 | Very high | 94.7 | Very high | 42 Ų | 42 | 57.9 Ų | 57.9 | 26% | 0.255 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 146.4 | -179.6 | 59.2 | 0 | 0 | 0 | 0 | 107.9 | R231 L232 F278 | R231-V256 VanDerWaalsContact CA-O 3.3Å; R231-V256 WeakPolarHBondContact CA-O 3.49Å; L232-V256 HydrophobicContact CB-CG1 3.81Å; L232-V256 PolarHBondContact N-O 2.8Å; L232-V256 VanDerWaalsContact N-O 3.13Å; V256-F278 HydrophobicContact CG1-CB 3.88Å; V256-F278 HydrophobicContact CG1-CD1 4.1Å; V256-F278 HydrophobicContact CG1-CD2 3.84Å; V256-F278 HydrophobicContact CG1-CE2 4.43Å; V256-F278 HydrophobicContact CG1-CG 3.67Å; V256-F278 HydrophobicContact CG2-CB 4.15Å |
| 257 | E | 98.1 | Very high | 94.8 | Very high | 115 Ų | 115 | 61.9 Ų | 61.9 | 54% | 0.537 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 132 | 176.7 | 179.8 | 173.6 | 125 | 0 | 0 | 108.9 | T229 A230 R231 | T229-E257 HydrophobicContact CG2-CG 3.37Å; A230-E257 WeakPolarHBondContact O-CA 3.44Å; R231-E257 HydrophobicContact CG-CB 4.22Å; R231-E257 HydrophobicContact CG-CG 4.02Å; R231-E257 IonicContact CZ-OE2 3.91Å; R231-E257 IonicContact NE-OE2 2.76Å; R231-E257 PolarHBondContact NE-OE2 3.14Å; R231-E257 IonicContact NH2-OE2 2.77Å; R231-E257 PolarHBondContact NH2-OE2 3.36Å |
| 258 | T | 98.2 | Very high | 95.1 | Very high | 36 Ų | 36 | 56.1 Ų | 56.1 | 22% | 0.221 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 122.2 | 174.5 | -53.5 | 0 | 0 | 0 | 0 | 109.6 | T229 A230 L260 L277 | T229-T258 WeakPolarHBondContact CA-O 3.43Å; A230-T258 PolarHBondContact N-O 3.49Å; A230-T258 PolarHBondContact O-N 2.91Å; T258-L260 HydrophobicContact CG2-CD2 4.14Å; T258-L277 WeakPolarHBondContact CB-O 3.29Å; T258-L277 VanDerWaalsContact CG2-O 3.26Å; T258-L277 WeakPolarHBondContact CG2-O 3.34Å; T258-L277 PolarHBondContact OG1-O 2.93Å |
| 259 | E | 97.9 | Very high | 95.4 | Very high | 85 Ų | 85 | 60.9 Ų | 60.9 | 40% | 0.397 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 124.5 | 168.4 | -177.7 | 173.9 | 171.8 | 0 | 0 | 109.9 | R227 | R227-E259 HydrophobicContact CG-CG 4.05Å; R227-E259 IonicContact CZ-OE1 3.47Å; R227-E259 IonicContact CZ-OE2 3.36Å; R227-E259 IonicContact NE-OE1 2.7Å; R227-E259 PolarHBondContact NE-OE1 2.81Å; R227-E259 IonicContact NE-OE2 2.9Å; R227-E259 VanDerWaalsContact NH1-CD 3.28Å; R227-E259 IonicContact NH1-OE1 2.67Å; R227-E259 IonicContact NH1-OE2 3.47Å; R227-E259 PolarHBondContact NH1-OE2 3.34Å; R227-E259 IonicContact NH2-OE1 2.95Å; R227-E259 PolarHBondContact NH2-OE1 2.93Å; R227-E259 IonicContact NH2-OE2 3.08Å; R227-E259 PolarHBondContact NH2-OE2 3.31Å |
| 260 | L | 96.6 | Very high | 95.7 | Very high | 9 Ų | 9 | 64.7 Ų | 64.7 | 5% | 0.047 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 125.8 | 174.2 | -46.3 | 179.9 | 0 | 0 | 0 | 109 | L215 I228 T258 K262 L277 | L215-L260 HydrophobicContact CD1-CD1 3.92Å; I228-L260 HydrophobicContact CB-CB 4.24Å; I228-L260 HydrophobicContact CB-CD1 4.24Å; I228-L260 HydrophobicContact CB-CG 4.48Å; I228-L260 HydrophobicContact CG2-CD1 3.89Å; I228-L260 HydrophobicContact CG2-CG 4.48Å; I228-L260 PolarHBondContact O-N 3.21Å; T258-L260 HydrophobicContact CG2-CD2 4.14Å; L260-K262 HydrophobicContact CB-CG 3.69Å; L260-K262 PolarHBondContact O-N 2.87Å; L260-L277 HydrophobicContact CD1-CD2 3.94Å; L260-L277 HydrophobicContact CD2-CD2 4.3Å |
| 261 | D | 92 | Very high | 95.9 | Very high | 132 Ų | 132 | 64.6 Ų | 64.6 | 71% | 0.706 | 34% | 0.342 | S | S | * | . | trans | -75.3 | 69.1 | 174.7 | -170.6 | 29.4 | 0 | 0 | 0 | 111.5 | R263 | D261-R263 IonicContact OD1-CZ 3.94Å; D261-R263 IonicContact OD1-NH1 2.68Å; D261-R263 IonicContact OD1-NH2 3.73Å; D261-R263 PolarHBondContact OD1-NH2 3.13Å | ||
| 262 | K | 93.2 | Very high | 96 | Very high | 45 Ų | 45 | 64.5 Ų | 64.5 | 20% | 0.196 | 34% | 0.34 | C | S | . | . | trans | -127.5 | 133.4 | -175.3 | -50.8 | -65.8 | 166.4 | 167 | 0 | 108.5 | I228 L260 W272 E275 | I228-K262 HydrophobicContact CD1-CB 3.83Å; I228-K262 HydrophobicContact CD1-CG 4.45Å; I228-K262 HydrophobicContact CG1-CB 4.3Å; L260-K262 HydrophobicContact CB-CG 3.69Å; L260-K262 PolarHBondContact O-N 2.87Å; K262-W272 HydrophobicContact CB-CH2 4.4Å; K262-W272 HydrophobicContact CB-CZ2 3.87Å; K262-W272 HydrophobicContact CD-CG 4.28Å; K262-E275 WeakPolarHBondContact CE-OE2 3.16Å; K262-E275 IonicContact NZ-OE1 2.76Å; K262-E275 PolarHBondContact NZ-OE1 2.85Å; K262-E275 IonicContact NZ-OE2 2.7Å; K262-E275 PolarHBondContact NZ-OE2 2.83Å | ||
| 263 | R | 94.1 | Very high | 96 | Very high | 109 Ų | 109 | 65.5 Ų | 65.5 | 41% | 0.411 | 35% | 0.345 | S | S | . | . | trans | -134.5 | 149.6 | -178.5 | -56.3 | -66.2 | -179.3 | -88.3 | -2.2 | 109.4 | T226 D261 | T226-R263 VanDerWaalsContact O-CD 3.22Å; T226-R263 WeakPolarHBondContact O-CD 3.4Å; T226-R263 PolarHBondContact O-NE 2.83Å; T226-R263 PolarHBondContact O-NH1 2.83Å; T226-R263 VanDerWaalsContact O-NH1 3.1Å; D261-R263 IonicContact OD1-CZ 3.94Å; D261-R263 IonicContact OD1-NH1 2.68Å; D261-R263 IonicContact OD1-NH2 3.73Å; D261-R263 PolarHBondContact OD1-NH2 3.13Å | ||
| 264 | L | 94.7 | Very high | 96 | Very high | 12 Ų | 12 | 69 Ų | 69 | 6% | 0.063 | 37% | 0.367 | C | S | . | . | B | Isolated β-bridge | trans | -146 | 127.9 | 178.5 | -171.4 | 61.2 | 0 | 0 | 0 | 109.6 | V217 N219 A224 L225 S268 K270 W272 | V217-L264 HydrophobicContact CB-CD2 4.04Å; V217-L264 HydrophobicContact CG1-CD2 3.69Å; N219-L264 HydrophobicContact CB-CD2 3.92Å; N219-L264 HydrophobicContact CB-CG 4.48Å; A224-L264 CarbonylContact C-O 3.54Å; A224-L264 WeakPolarHBondContact CA-O 3.34Å; L225-L264 HydrophobicContact CB-CB 3.74Å; L225-L264 HydrophobicContact CD2-CB 3.88Å; L225-L264 HydrophobicContact CG-CB 4.47Å; L225-L264 PolarHBondContact N-O 2.79Å; L225-L264 PolarHBondContact O-N 3.45Å; L264-S268 WeakPolarHBondContact CD1-OG 3.48Å; L264-S268 WeakPolarHBondContact CG-OG 3.48Å; L264-K270 HydrophobicContact CD1-CB 3.49Å; L264-K270 VanDerWaalsContact CD1-CB 3.49Å; L264-K270 HydrophobicContact CD1-CD 4.25Å; L264-K270 HydrophobicContact CD2-CB 4.45Å; L264-W272 HydrophobicContact CB-CH2 4.28Å |
| 265 | S | 93.9 | Very high | 96 | Very high | 78 Ų | 78 | 68.4 Ų | 68.4 | 55% | 0.545 | 35% | 0.351 | S | S | . | . | trans | -67.5 | 164.3 | 175.5 | 53.8 | 0 | 0 | 0 | 0 | 111.2 | N219 S268 | N219-S265 PolarHBondContact ND2-O 2.73Å; S265-S268 PolarHBondContact O-OG 3.09Å; S265-S268 PolarHBondContact OG-OG 2.75Å | ||
| 266 | G | 91.7 | Very high | 95.9 | Very high | 22 Ų | 22 | 72.5 Ų | 72.5 | 23% | 0.227 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -59.3 | 156.2 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | S221 S268 | S221-G266 CarbonylContact O-C 3.57Å; S221-G266 WeakPolarHBondContact O-CA 3.38Å; G266-S268 VanDerWaalsContact C-N 3.31Å; G266-S268 PolarHBondContact O-N 2.87Å |
| 267 | R | 92.1 | Very high | 95.9 | Very high | 144 Ų | 144 | 70.5 Ų | 70.5 | 54% | 0.543 | 36% | 0.356 | S | S | . | . | S | Bend | trans | 52.7 | 46.3 | 177.7 | -55.2 | -61.8 | -176.9 | 169 | -7.8 | 112.9 | N219 D220 S221 | N219-R267 CarbonylContact O-C 3.52Å; N219-R267 WeakPolarHBondContact O-CA 3.2Å; N219-R267 PolarHBondContact O-N 2.82Å; D220-R267 WeakPolarHBondContact O-CD 3Å; D220-R267 PolarHBondContact O-NE 2.87Å; D220-R267 PolarHBondContact O-NH1 2.77Å; D220-R267 PolarHBondContact O-NH2 3.34Å; S221-R267 PolarHBondContact O-N 2.98Å |
| 268 | S | 95.8 | Very high | 96 | Very high | 28 Ų | 28 | 65.2 Ų | 65.2 | 20% | 0.196 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 161.5 | -178 | 71.3 | 0 | 0 | 0 | 0 | 112.5 | N219 L264 S265 G266 | N219-S268 PolarHBondContact N-O 3.2Å; N219-S268 PolarHBondContact O-N 2.68Å; N219-S268 VanDerWaalsContact O-N 3.08Å; L264-S268 WeakPolarHBondContact CD1-OG 3.48Å; L264-S268 WeakPolarHBondContact CG-OG 3.48Å; S265-S268 PolarHBondContact O-OG 3.09Å; S265-S268 PolarHBondContact OG-OG 2.75Å; G266-S268 VanDerWaalsContact C-N 3.31Å; G266-S268 PolarHBondContact O-N 2.87Å |
| 269 | K | 96.9 | Very high | 96 | Very high | 148 Ų | 148 | 66.7 Ų | 66.7 | 64% | 0.643 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 139.8 | 177 | 171.8 | 178.5 | 179.2 | 176 | 0 | 108.7 | V217 V218 | V217-K269 VanDerWaalsContact O-CA 3.31Å; V217-K269 WeakPolarHBondContact O-CA 3.47Å; V218-K269 HydrophobicContact CG2-CB 4.44Å; V218-K269 HydrophobicContact CG2-CD 4.04Å; V218-K269 HydrophobicContact CG2-CG 4.02Å |
| 270 | K | 97.8 | Very high | 96 | Very high | 96 Ų | 96 | 62.7 Ų | 62.7 | 42% | 0.417 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 145.9 | 173.6 | -170.4 | 161.8 | 178.5 | -177.7 | 0 | 111.1 | V217 L264 W272 | V217-K270 PolarHBondContact N-O 2.9Å; V217-K270 PolarHBondContact O-N 3.28Å; L264-K270 HydrophobicContact CD1-CB 3.49Å; L264-K270 VanDerWaalsContact CD1-CB 3.49Å; L264-K270 HydrophobicContact CD1-CD 4.25Å; L264-K270 HydrophobicContact CD2-CB 4.45Å; K270-W272 HydrophobicContact CB-CH2 4.07Å; K270-W272 HydrophobicContact CB-CZ2 4.13Å; K270-W272 HydrophobicContact CB-CZ3 4.34Å; K270-W272 HydrophobicContact CD-CH2 4.26Å; K270-W272 HydrophobicContact CD-CZ2 3.51Å; K270-W272 HydrophobicContact CG-CD2 4.19Å; K270-W272 HydrophobicContact CG-CH2 4.24Å; K270-W272 HydrophobicContact CG-CZ2 3.81Å |
| 271 | S | 97.8 | Very high | 96 | Very high | 66 Ų | 66 | 63.7 Ų | 63.7 | 46% | 0.462 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 140.2 | 173.7 | 179 | 0 | 0 | 0 | 0 | 109.2 | L215 | L215-S271 CarbonylContact O-C 3.5Å; L215-S271 VanDerWaalsContact O-CA 3.3Å; L215-S271 WeakPolarHBondContact O-CA 3.23Å |
| 272 | W | 97.4 | Very high | 96.3 | Very high | 13 Ų | 13 | 57.8 Ų | 57.8 | 5% | 0.049 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 93.8 | 176.3 | -66.6 | -78.6 | 0 | 0 | 0 | 108.5 | S214 L215 V217 L225 I228 K262 L264 K270 E275 | S214-W272 WeakPolarHBondContact CA-O 3.41Å; L215-W272 HydrophobicContact CB-CB 4.38Å; L215-W272 HydrophobicContact CB-CE3 4.22Å; L215-W272 PolarHBondContact N-O 3.37Å; L215-W272 PolarHBondContact O-N 3.21Å; V217-W272 HydrophobicContact CB-CZ3 3.83Å; V217-W272 HydrophobicContact CG2-CE3 4.37Å; V217-W272 HydrophobicContact CG2-CZ3 3.62Å; L225-W272 HydrophobicContact CD2-CH2 4.06Å; I228-W272 HydrophobicContact CD1-CH2 4.33Å; I228-W272 HydrophobicContact CD1-CZ3 4.11Å; K262-W272 HydrophobicContact CB-CH2 4.4Å; K262-W272 HydrophobicContact CB-CZ2 3.87Å; K262-W272 HydrophobicContact CD-CG 4.28Å; L264-W272 HydrophobicContact CB-CH2 4.28Å; K270-W272 HydrophobicContact CB-CH2 4.07Å; K270-W272 HydrophobicContact CB-CZ2 4.13Å; K270-W272 HydrophobicContact CB-CZ3 4.34Å; K270-W272 HydrophobicContact CD-CH2 4.26Å; K270-W272 HydrophobicContact CD-CZ2 3.51Å; K270-W272 HydrophobicContact CG-CD2 4.19Å; K270-W272 HydrophobicContact CG-CH2 4.24Å; K270-W272 HydrophobicContact CG-CZ2 3.81Å; W272-E275 HydrophobicContact CB-CG 3.52Å; W272-E275 WeakPolarHBondContact CB-OE1 3.41Å; W272-E275 HydrophobicContact CG-CG 4.48Å |
| 273 | P | 97.1 | Very high | 96.5 | Very high | 82 Ų | 82 | 55.8 Ų | 55.8 | 53% | 0.532 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 144.6 | -179 | 30.8 | -33.9 | 0 | 0 | 0 | 111.5 | E275 | P273-E275 VanDerWaalsContact C-N 3.28Å; P273-E275 PolarHBondContact O-N 2.91Å |
| 274 | N | 96.1 | Very high | 96.6 | Very high | 123 Ų | 123 | 50.9 Ų | 50.9 | 66% | 0.658 | 27% | 0.271 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 51.9 | 40.2 | 171.6 | -55.1 | -46.6 | 0 | 0 | 0 | 114.6 | A213 S214 F276 | A213-N274 CarbonylContact O-C 3.52Å; A213-N274 PolarHBondContact O-N 3.37Å; S214-N274 PolarHBondContact OG-N 2.89Å; N274-F276 PolarHBondContact O-N 2.84Å |
| 275 | E | 97.3 | Very high | 96.6 | Very high | 36 Ų | 36 | 51 Ų | 51 | 17% | 0.168 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 128.3 | 175.6 | -67.2 | -66.6 | 167.8 | 0 | 0 | 110.2 | V212 A213 K262 W272 P273 L277 | V212-E275 CarbonylContact C-O 3.57Å; V212-E275 VanDerWaalsContact CA-O 3.25Å; V212-E275 WeakPolarHBondContact CA-O 3.19Å; A213-E275 PolarHBondContact N-O 2.94Å; A213-E275 PolarHBondContact O-N 2.7Å; K262-E275 WeakPolarHBondContact CE-OE2 3.16Å; K262-E275 IonicContact NZ-OE1 2.76Å; K262-E275 PolarHBondContact NZ-OE1 2.85Å; K262-E275 IonicContact NZ-OE2 2.7Å; K262-E275 PolarHBondContact NZ-OE2 2.83Å; W272-E275 HydrophobicContact CB-CG 3.52Å; W272-E275 WeakPolarHBondContact CB-OE1 3.41Å; W272-E275 HydrophobicContact CG-CG 4.48Å; P273-E275 VanDerWaalsContact C-N 3.28Å; P273-E275 PolarHBondContact O-N 2.91Å; E275-L277 PolarHBondContact O-N 2.89Å |
| 276 | F | 97.9 | Very high | 96.6 | Very high | 102 Ų | 102 | 47.7 Ų | 47.7 | 45% | 0.447 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 125.1 | 169.3 | 173.7 | -95.9 | 0 | 0 | 0 | 109.7 | A210 N274 F278 | A210-F276 HydrophobicContact CB-CD2 4.13Å; A210-F276 HydrophobicContact CB-CE2 3.87Å; N274-F276 PolarHBondContact O-N 2.84Å; F276-F278 VanDerWaalsContact CZ-C 3.41Å; F276-F278 VanDerWaalsContact CZ-CA 3.5Å |
| 277 | L | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | -58.8 | 176.9 | -54.9 | -172.1 | 0 | 0 | 0 | 110.3 | V211 A213 A230 T258 L260 E275 L299 L301 | V211-L277 HydrophobicContact CG1-CD1 4.23Å; V211-L277 PolarHBondContact O-N 2.93Å; A213-L277 HydrophobicContact CB-CD1 3.76Å; A213-L277 HydrophobicContact CB-CD2 4.5Å; A213-L277 HydrophobicContact CB-CG 4.2Å; A230-L277 HydrophobicContact CB-CB 4.05Å; A230-L277 HydrophobicContact CB-CD1 4.43Å; A230-L277 HydrophobicContact CB-CD2 4.07Å; A230-L277 HydrophobicContact CB-CG 4.41Å; T258-L277 WeakPolarHBondContact CB-O 3.29Å; T258-L277 VanDerWaalsContact CG2-O 3.26Å; T258-L277 WeakPolarHBondContact CG2-O 3.34Å; T258-L277 PolarHBondContact OG1-O 2.93Å; L260-L277 HydrophobicContact CD1-CD2 3.94Å; L260-L277 HydrophobicContact CD2-CD2 4.3Å; E275-L277 PolarHBondContact O-N 2.89Å; L277-L299 HydrophobicContact CD1-CD1 3.78Å; L277-L299 HydrophobicContact CD1-CD2 3.73Å; L277-L299 HydrophobicContact CD1-CG 4.43Å; L277-L301 HydrophobicContact CD1-CD2 4.35Å |
| 278 | F | 98.4 | Very high | 96.6 | Very high | 4 Ų | 4 | 43.9 Ų | 43.9 | 2% | 0.018 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.1 | 168.7 | 179.9 | 46.6 | -100.8 | 0 | 0 | 0 | 110.4 | V211 A230 L232 V256 F276 V280 L299 | V211-F278 HydrophobicContact CB-CD2 4.1Å; V211-F278 HydrophobicContact CB-CE2 3.8Å; V211-F278 HydrophobicContact CB-CZ 4.2Å; V211-F278 HydrophobicContact CG1-CE2 4.37Å; V211-F278 HydrophobicContact CG1-CZ 4.3Å; V211-F278 HydrophobicContact CG2-CD2 3.89Å; V211-F278 HydrophobicContact CG2-CE2 3.41Å; V211-F278 VanDerWaalsContact CG2-CE2 3.41Å; V211-F278 HydrophobicContact CG2-CZ 4.14Å; V211-F278 PolarHBondContact N-O 2.8Å; A230-F278 HydrophobicContact CB-CD1 4.48Å; L232-F278 HydrophobicContact CB-CE1 4.18Å; L232-F278 HydrophobicContact CB-CE2 3.84Å; L232-F278 HydrophobicContact CB-CZ 3.65Å; L232-F278 HydrophobicContact CD1-CZ 4.47Å; L232-F278 HydrophobicContact CD2-CE2 4.08Å; L232-F278 HydrophobicContact CG-CE2 4.4Å; L232-F278 HydrophobicContact CG-CZ 4.46Å; V256-F278 HydrophobicContact CG1-CB 3.88Å; V256-F278 HydrophobicContact CG1-CD1 4.1Å; V256-F278 HydrophobicContact CG1-CD2 3.84Å; V256-F278 HydrophobicContact CG1-CE2 4.43Å; V256-F278 HydrophobicContact CG1-CG 3.67Å; V256-F278 HydrophobicContact CG2-CB 4.15Å; F276-F278 VanDerWaalsContact CZ-C 3.41Å; F276-F278 VanDerWaalsContact CZ-CA 3.5Å; F278-V280 HydrophobicContact CE2-CG2 4.47Å; F278-L299 HydrophobicContact CE1-CD1 3.65Å; F278-L299 HydrophobicContact CZ-CD1 3.98Å |
| 279 | T | 98.2 | Very high | 96.4 | Very high | 67 Ų | 67 | 44.6 Ų | 44.6 | 41% | 0.411 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 131.7 | 164.7 | -57.8 | 0 | 0 | 0 | 0 | 108.7 | G208 E209 P281 | G208-T279 WeakPolarHBondContact O-CG2 3.35Å; E209-T279 WeakPolarHBondContact O-CA 3.43Å; T279-P281 WeakPolarHBondContact O-CD 3.32Å |
| 280 | V | 98.2 | Very high | 96.2 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.006 | 21% | 0.21 | C | C | . | . | trans | -62.8 | 120.7 | 177.9 | -178.2 | 0 | 0 | 0 | 0 | 109 | P207 G208 E209 V211 L232 F278 I321 | P207-V280 HydrophobicContact CG-CG1 4.4Å; G208-V280 PolarHBondContact N-O 3.28Å; E209-V280 PolarHBondContact O-N 2.88Å; V211-V280 HydrophobicContact CG2-CG2 3.77Å; L232-V280 HydrophobicContact CD2-CG1 4.32Å; F278-V280 HydrophobicContact CE2-CG2 4.47Å; V280-I321 HydrophobicContact CG1-CD1 3.82Å; V280-I321 HydrophobicContact CG1-CG2 4.36Å; V280-I321 HydrophobicContact CG2-CD1 4.16Å | ||
| 281 | P | 98.2 | Very high | 95.9 | Very high | 29 Ų | 29 | 37 Ų | 37 | 19% | 0.188 | 22% | 0.216 | C | C | . | . | trans | -81.5 | 179.9 | 179.8 | 34.8 | -36.1 | 0 | 0 | 0 | 111.9 | P207 V255 T279 L283 V356 | P207-P281 WeakPolarHBondContact CB-O 3.25Å; V255-P281 HydrophobicContact CG1-CG 3.27Å; T279-P281 WeakPolarHBondContact O-CD 3.32Å; P281-L283 HydrophobicContact CG-CD1 4.17Å; P281-L283 HydrophobicContact CG-CG 4.34Å; P281-L283 PolarHBondContact O-N 2.91Å; P281-L283 VanDerWaalsContact O-N 3.17Å; P281-V356 HydrophobicContact CB-CB 3.94Å; P281-V356 HydrophobicContact CB-CG1 4.46Å; P281-V356 HydrophobicContact CB-CG2 3.83Å; P281-V356 HydrophobicContact CG-CB 4.09Å; P281-V356 HydrophobicContact CG-CG1 4.08Å; P281-V356 HydrophobicContact CG-CG2 3.98Å | ||
| 282 | S | 97.8 | Very high | 95.8 | Very high | 8 Ų | 8 | 34 Ų | 34 | 6% | 0.056 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -63.5 | 114.5 | 177.2 | -175.2 | 0 | 0 | 0 | 0 | 111.7 | V353 Q354 V356 | S282-V353 PolarHBondContact OG-O 3.1Å; S282-Q354 VanDerWaalsContact CB-O 3.24Å; S282-Q354 WeakPolarHBondContact CB-O 3.4Å; S282-Q354 PolarHBondContact OG-O 3.36Å; S282-V356 PolarHBondContact O-N 2.83Å |
| 283 | L | 97 | Very high | 95.6 | Very high | 3 Ų | 3 | 33.6 Ų | 33.6 | 2% | 0.016 | 19% | 0.193 | C | C | . | . | trans | -152.2 | 156.2 | -173.9 | -77.1 | 174.8 | 0 | 0 | 0 | 111.2 | L232 V255 P281 Y297 V356 F357 Y380 | L232-L283 HydrophobicContact CD2-CD1 4.22Å; V255-L283 HydrophobicContact CB-CD1 4.21Å; V255-L283 HydrophobicContact CG1-CD1 3.36Å; V255-L283 HydrophobicContact CG1-CD2 4.42Å; V255-L283 HydrophobicContact CG1-CG 4.21Å; V255-L283 HydrophobicContact CG2-CD1 3.78Å; V255-L283 HydrophobicContact CG2-CD2 4.37Å; P281-L283 HydrophobicContact CG-CD1 4.17Å; P281-L283 HydrophobicContact CG-CG 4.34Å; P281-L283 PolarHBondContact O-N 2.91Å; P281-L283 VanDerWaalsContact O-N 3.17Å; L283-Y297 HydrophobicContact CD1-CE1 3.77Å; L283-V356 HydrophobicContact CD2-CG1 3.46Å; L283-V356 VanDerWaalsContact CD2-CG1 3.46Å; L283-V356 HydrophobicContact CG-CG1 3.96Å; L283-F357 HydrophobicContact CD2-CD2 3.85Å; L283-F357 HydrophobicContact CD2-CE2 3.3Å; L283-F357 HydrophobicContact CD2-CZ 4.08Å; L283-Y380 VanDerWaalsContact C-CD2 3.46Å | ||
| 284 | P | 95.8 | Very high | 95.5 | Very high | 6 Ų | 6 | 31.2 Ų | 31.2 | 4% | 0.039 | 18% | 0.175 | C | C | . | . | P | Polyproline II helix | trans | -66.9 | 150.7 | 171.2 | 28.3 | -32.5 | 0 | 0 | 0 | 111 | Y125 I295 Y297 Y380 | Y125-P284 HydrophobicContact CD2-CB 4.21Å; Y125-P284 HydrophobicContact CD2-CG 3.67Å; Y125-P284 HydrophobicContact CE2-CG 3.88Å; P284-I295 HydrophobicContact CB-CD1 4.5Å; P284-Y297 WeakPolarHBondContact O-CE2 3.03Å; P284-Y297 PolarHBondContact O-OH 3.25Å; P284-Y380 HydrophobicContact CB-CD1 4.31Å; P284-Y380 HydrophobicContact CB-CE1 3.62Å; P284-Y380 HydrophobicContact CB-CE2 4.37Å; P284-Y380 HydrophobicContact CG-CE1 4.45Å; P284-Y380 HydrophobicContact CG-CE2 4.4Å |
| 285 | A | 95 | Very high | 95.5 | Very high | 16 Ų | 16 | 25.8 Ų | 25.8 | 13% | 0.132 | 15% | 0.146 | C | C | . | . | P | Polyproline II helix | trans | -62.4 | 157.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | C161 I321 | C161-A285 HydrophobicContact CB-CB 4.04Å; A285-I321 CarbonylContact C-O 3.54Å; A285-I321 WeakPolarHBondContact CA-O 3.49Å |
| 286 | S | 94.6 | Very high | 95.4 | Very high | 8 Ų | 8 | 25.4 Ų | 25.4 | 6% | 0.056 | 15% | 0.149 | C | C | . | . | P | Polyproline II helix | trans | -62.2 | 136.8 | 168.3 | -36.7 | 0 | 0 | 0 | 0 | 108.4 | I295 Y297 Q320 I321 | S286-I295 CarbonylContact C-O 3.52Å; S286-I295 WeakPolarHBondContact CA-O 3.22Å; S286-Y297 WeakPolarHBondContact OG-CD2 3.26Å; S286-Q320 WeakPolarHBondContact OG-CA 3.16Å; S286-I321 PolarHBondContact N-O 2.77Å; S286-I321 PolarHBondContact OG-N 3.45Å; S286-I321 PolarHBondContact OG-O 3.43Å |
| 287 | S | 92.6 | Very high | 95.4 | Very high | 19 Ų | 19 | 20.8 Ų | 20.8 | 13% | 0.133 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 136.9 | -174.7 | -171.6 | 0 | 0 | 0 | 0 | 112.5 | S289 H294 I295 | S287-S289 PolarHBondContact OG-N 3.38Å; S287-S289 PolarHBondContact OG-OG 3.12Å; S287-H294 CarbonylContact O-C 3.56Å; S287-H294 WeakPolarHBondContact O-CA 3.4Å; S287-I295 PolarHBondContact N-O 3.25Å; S287-I295 PolarHBondContact O-N 3.5Å |
| 288 | E | 91.4 | Very high | 95.3 | Very high | 67 Ų | 67 | 22.1 Ų | 22.1 | 31% | 0.313 | 14% | 0.135 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 11 | 164.9 | -55.3 | -163.1 | 122.5 | 0 | 0 | 111.5 | L165 N166 C290 H294 | L165-E288 HydrophobicContact CB-CG 4.45Å; L165-E288 HydrophobicContact CD1-CG 3.36Å; L165-E288 VanDerWaalsContact CD1-OE1 3.28Å; L165-E288 WeakPolarHBondContact CD1-OE1 3.45Å; L165-E288 HydrophobicContact CG-CG 4.47Å; N166-E288 PolarHBondContact N-OE2 2.83Å; E288-C290 PolarHBondContact O-N 2.88Å; E288-H294 HydrophobicContact CG-CB 4.38Å; E288-H294 WeakPolarHBondContact CG-ND1 3.06Å; E288-H294 IonicContact OE1-CE1 3.71Å; E288-H294 PolarHBondContact OE1-CE1 3.31Å; E288-H294 IonicContact OE1-CG 2.71Å; E288-H294 IonicContact OE1-ND1 3.34Å; E288-H294 PolarHBondContact OE1-ND1 3.25Å |
| 289 | S | 90.8 | Very high | 95.4 | Very high | 42 Ų | 42 | 22 Ų | 22 | 29% | 0.294 | 13% | 0.134 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | -22.1 | -175.3 | -50.7 | 0 | 0 | 0 | 0 | 112.4 | S287 P291 | S287-S289 PolarHBondContact OG-N 3.38Å; S287-S289 PolarHBondContact OG-OG 3.12Å; S289-P291 WeakPolarHBondContact O-CD 3.34Å |
| 290 | C | 92.8 | Very high | 95.4 | Very high | 2 Ų | 2 | 20 Ų | 20 | 1% | 0.014 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 119.2 | 174.7 | -171 | 0 | 0 | 0 | 0 | 110.4 | A59 Y82 L122 I132 E288 I292 L293 H294 | A59-C290 VanDerWaalsContact CB-SG 3.54Å; Y82-C290 PolarHBondContact OH-SG 3.48Å; L122-C290 HydrophobicContact CD1-CB 3.47Å; L122-C290 VanDerWaalsContact CD1-CB 3.47Å; I132-C290 HydrophobicContact CD1-CB 4.13Å; E288-C290 PolarHBondContact O-N 2.88Å; C290-I292 PolarHBondContact O-N 3.27Å; C290-L293 HydrophobicContact CB-CB 4.3Å; C290-L293 WeakPolarHBondContact CB-O 3.41Å; C290-L293 PolarHBondContact O-N 3.47Å; C290-H294 PolarHBondContact O-CD2 3.17Å |
| 291 | P | 92.2 | Very high | 95.4 | Very high | 84 Ų | 84 | 20 Ų | 20 | 55% | 0.545 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -18.8 | -175.1 | -26.8 | 34.4 | 0 | 0 | 0 | 116.2 | L80 S289 | L80-P291 HydrophobicContact CD2-CG 4.2Å; S289-P291 WeakPolarHBondContact O-CD 3.34Å |
| 292 | I | 94 | Very high | 95.3 | Very high | 3 Ų | 3 | 20.5 Ų | 20.5 | 2% | 0.015 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.9 | -6.2 | -174.4 | 63.3 | 167.8 | 0 | 0 | 0 | 113.1 | A59 F61 L80 C238 I239 K241 C290 | A59-I292 HydrophobicContact CB-CD1 4.07Å; A59-I292 HydrophobicContact CB-CG1 4.31Å; F61-I292 HydrophobicContact CD1-CB 4.36Å; F61-I292 HydrophobicContact CD1-CD1 4.44Å; F61-I292 HydrophobicContact CE1-CB 4.12Å; L80-I292 HydrophobicContact CB-CD1 3.99Å; C238-I292 WeakPolarHBondContact CA-O 3.48Å; I239-I292 PolarHBondContact N-O 2.98Å; K241-I292 HydrophobicContact CB-CG2 4.14Å; C290-I292 PolarHBondContact O-N 3.27Å |
| 293 | L | 94.5 | Very high | 95.2 | Very high | 3 Ų | 3 | 20.1 Ų | 20.1 | 2% | 0.016 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 112.8 | -172 | -170.2 | 67.2 | 0 | 0 | 0 | 111.3 | Y125 I132 E236 T237 C290 | Y125-L293 HydrophobicContact CD1-CD2 3.49Å; Y125-L293 VanDerWaalsContact CD1-CD2 3.49Å; Y125-L293 HydrophobicContact CE1-CD2 3.81Å; Y125-L293 HydrophobicContact CE1-CG 4.45Å; Y125-L293 HydrophobicContact CG-CD2 4.48Å; I132-L293 HydrophobicContact CG1-CD2 4.16Å; E236-L293 HydrophobicContact CG-CD1 3.67Å; T237-L293 WeakPolarHBondContact O-CA 3.29Å; C290-L293 HydrophobicContact CB-CB 4.3Å; C290-L293 WeakPolarHBondContact CB-O 3.41Å; C290-L293 PolarHBondContact O-N 3.47Å |
| 294 | H | 94.6 | Very high | 95 | Very high | 32 Ų | 32 | 21.9 Ų | 21.9 | 15% | 0.148 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 143 | 177 | -65.9 | -165.2 | 0 | 0 | 0 | 110.6 | E236 T237 I239 S287 E288 C290 | E236-H294 WeakPolarHBondContact CA-O 3.44Å; T237-H294 PolarHBondContact N-O 3.18Å; T237-H294 PolarHBondContact O-N 3.39Å; I239-H294 WeakPolarHBondContact CD1-CE1 3.49Å; I239-H294 WeakPolarHBondContact CD1-NE2 3.46Å; S287-H294 CarbonylContact O-C 3.56Å; S287-H294 WeakPolarHBondContact O-CA 3.4Å; E288-H294 HydrophobicContact CG-CB 4.38Å; E288-H294 WeakPolarHBondContact CG-ND1 3.06Å; E288-H294 IonicContact OE1-CE1 3.71Å; E288-H294 PolarHBondContact OE1-CE1 3.31Å; E288-H294 IonicContact OE1-CG 2.71Å; E288-H294 IonicContact OE1-ND1 3.34Å; E288-H294 PolarHBondContact OE1-ND1 3.25Å; C290-H294 PolarHBondContact O-CD2 3.17Å |
| 295 | I | 95.7 | Very high | 94.7 | Very high | 9 Ų | 9 | 21.9 Ų | 21.9 | 5% | 0.046 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 120 | 178.7 | -53.2 | 162.2 | 0 | 0 | 0 | 107.9 | Y125 Q234 P284 S286 S287 Y297 | Y125-I295 HydrophobicContact CD1-CD1 4.3Å; Y125-I295 HydrophobicContact CD2-CD1 3.24Å; Y125-I295 HydrophobicContact CD2-CG1 4Å; Y125-I295 HydrophobicContact CE1-CD1 4.47Å; Y125-I295 HydrophobicContact CE1-CG1 4.38Å; Y125-I295 HydrophobicContact CE2-CD1 3.49Å; Y125-I295 VanDerWaalsContact CE2-CD1 3.49Å; Y125-I295 HydrophobicContact CE2-CG1 3.72Å; Y125-I295 HydrophobicContact CE2-CG2 4.25Å; Y125-I295 HydrophobicContact CG-CD1 3.69Å; Y125-I295 HydrophobicContact CG-CG1 4.44Å; Q234-I295 HydrophobicContact CG-CG2 3.99Å; P284-I295 HydrophobicContact CB-CD1 4.5Å; S286-I295 CarbonylContact C-O 3.52Å; S286-I295 WeakPolarHBondContact CA-O 3.22Å; S287-I295 PolarHBondContact N-O 3.25Å; S287-I295 PolarHBondContact O-N 3.5Å; I295-Y297 HydrophobicContact CG2-CE2 3.83Å |
| 296 | A | 96 | Very high | 94.3 | Very high | 29 Ų | 29 | 24 Ų | 24 | 24% | 0.24 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 165 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | L165 N235 | L165-A296 HydrophobicContact CD2-CB 4.17Å; N235-A296 HydrophobicContact CB-CB 4.39Å; N235-A296 PolarHBondContact N-O 3.13Å; N235-A296 PolarHBondContact O-N 3.46Å |
| 297 | Y | 97.4 | Very high | 93.4 | Very high | 5 Ų | 5 | 24.7 Ų | 24.7 | 2% | 0.02 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 155.4 | 179.9 | -64.8 | -92.4 | 0 | 0 | 0 | 111.6 | L232 M233 Q234 V255 L283 P284 S286 I295 L319 I321 | L232-Y297 HydrophobicContact CD1-CD1 4.19Å; L232-Y297 HydrophobicContact CG-CD1 4.42Å; M233-Y297 VanDerWaalsContact O-CA 3.24Å; M233-Y297 WeakPolarHBondContact O-CA 3.39Å; M233-Y297 WeakPolarHBondContact O-CD1 3.43Å; Q234-Y297 HydrophobicContact CB-CD1 3.84Å; Q234-Y297 HydrophobicContact CB-CE1 3.52Å; Q234-Y297 HydrophobicContact CG-CD1 4Å; Q234-Y297 HydrophobicContact CG-CE1 3.45Å; Q234-Y297 VanDerWaalsContact CG-CE1 3.45Å; Q234-Y297 HydrophobicContact CG-CE2 4.48Å; Q234-Y297 PolarHBondContact NE2-OH 2.71Å; V255-Y297 HydrophobicContact CG2-CE1 4.4Å; L283-Y297 HydrophobicContact CD1-CE1 3.77Å; P284-Y297 WeakPolarHBondContact O-CE2 3.03Å; P284-Y297 PolarHBondContact O-OH 3.25Å; S286-Y297 WeakPolarHBondContact OG-CD2 3.26Å; I295-Y297 HydrophobicContact CG2-CE2 3.83Å; Y297-L319 CarbonylContact C-O 3.57Å; Y297-L319 PolarHBondContact O-N 2.83Å; Y297-I321 HydrophobicContact CD1-CG1 3.87Å; Y297-I321 HydrophobicContact CD2-CB 3.83Å; Y297-I321 HydrophobicContact CD2-CG1 3.58Å; Y297-I321 HydrophobicContact CE1-CG1 4.11Å; Y297-I321 HydrophobicContact CE2-CB 3.76Å; Y297-I321 HydrophobicContact CE2-CG1 3.82Å; Y297-I321 HydrophobicContact CG-CB 4.37Å; Y297-I321 HydrophobicContact CG-CG1 3.59Å |
| 298 | E | 97.3 | Very high | 92.4 | Very high | 28 Ų | 28 | 35.5 Ų | 35.5 | 13% | 0.131 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 145.5 | 173.3 | 60.5 | -177.1 | -129.5 | 0 | 0 | 110.3 | M233 N235 Q300 Q316 V317 | M233-E298 HydrophobicContact CB-CG 3.71Å; M233-E298 HydrophobicContact CG-CG 4.23Å; M233-E298 PolarHBondContact N-O 3.28Å; M233-E298 PolarHBondContact O-N 3.26Å; M233-E298 VanDerWaalsContact O-N 3.09Å; N235-E298 PolarHBondContact ND2-OE2 3.17Å; E298-Q300 HydrophobicContact CG-CG 4.33Å; E298-Q300 WeakPolarHBondContact OE1-CG 3.37Å; E298-Q300 PolarHBondContact OE1-NE2 2.94Å; E298-Q316 PolarHBondContact OE1-NE2 2.79Å; E298-V317 WeakPolarHBondContact CA-O 3.42Å |
| 299 | L | 98.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 131.5 | 162.9 | 165.6 | 69 | 0 | 0 | 0 | 108.2 | V198 L200 A230 R231 L277 F278 L301 Q316 V317 L319 | V198-L299 HydrophobicContact CG1-CD2 4.37Å; L200-L299 HydrophobicContact CD1-CD2 4.13Å; L200-L299 HydrophobicContact CD2-CD2 4.15Å; A230-L299 HydrophobicContact CB-CD1 4.49Å; R231-L299 CarbonylContact O-C 3.5Å; R231-L299 WeakPolarHBondContact O-CA 3.41Å; L277-L299 HydrophobicContact CD1-CD1 3.78Å; L277-L299 HydrophobicContact CD1-CD2 3.73Å; L277-L299 HydrophobicContact CD1-CG 4.43Å; F278-L299 HydrophobicContact CE1-CD1 3.65Å; F278-L299 HydrophobicContact CZ-CD1 3.98Å; L299-L301 HydrophobicContact CD1-CD2 4.15Å; L299-Q316 CarbonylContact O-C 3.56Å; L299-Q316 WeakPolarHBondContact O-CA 3.35Å; L299-V317 HydrophobicContact CB-CB 4.22Å; L299-V317 HydrophobicContact CD2-CB 4.49Å; L299-V317 HydrophobicContact CD2-CG2 4.5Å; L299-V317 PolarHBondContact N-O 2.92Å; L299-V317 PolarHBondContact O-N 2.85Å; L299-L319 HydrophobicContact CB-CD2 3.66Å |
| 300 | Q | 98.4 | Very high | 90.9 | Very high | 26 Ų | 26 | 37.7 Ų | 37.7 | 12% | 0.121 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 129.4 | 169.1 | -65.1 | -170.8 | -10 | 0 | 0 | 109.9 | A230 R231 M233 E298 L314 V315 Q316 | A230-Q300 CarbonylContact C-O 3.46Å; A230-Q300 WeakPolarHBondContact CA-O 3.41Å; R231-Q300 HydrophobicContact CB-CB 4.34Å; R231-Q300 PolarHBondContact N-O 3.45Å; R231-Q300 PolarHBondContact O-N 2.92Å; M233-Q300 HydrophobicContact CG-CB 4.46Å; M233-Q300 VanDerWaalsContact CG-CD 3.47Å; M233-Q300 HydrophobicContact CG-CG 3.7Å; E298-Q300 HydrophobicContact CG-CG 4.33Å; E298-Q300 WeakPolarHBondContact OE1-CG 3.37Å; E298-Q300 PolarHBondContact OE1-NE2 2.94Å; Q300-L314 HydrophobicContact CB-CD1 4.02Å; Q300-L314 HydrophobicContact CG-CD1 4.42Å; Q300-V315 WeakPolarHBondContact CA-O 3.17Å; Q300-Q316 HydrophobicContact CG-CG 4.26Å |
| 301 | L | 98.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 116.5 | 164.2 | -62.4 | -172.2 | 0 | 0 | 0 | 109.6 | V198 L215 T229 A230 L277 L299 L303 L314 V315 | V198-L301 HydrophobicContact CB-CD1 4.38Å; V198-L301 HydrophobicContact CG1-CD1 4.09Å; V198-L301 HydrophobicContact CG2-CD1 3.35Å; V198-L301 HydrophobicContact CG2-CG 4.31Å; L215-L301 HydrophobicContact CD1-CD1 4.27Å; L215-L301 HydrophobicContact CD2-CD1 3.38Å; L215-L301 HydrophobicContact CG-CD1 4.47Å; T229-L301 WeakPolarHBondContact O-CA 3.06Å; A230-L301 HydrophobicContact CB-CD2 3.51Å; L277-L301 HydrophobicContact CD1-CD2 4.35Å; L299-L301 HydrophobicContact CD1-CD2 4.15Å; L301-L303 HydrophobicContact CB-CD1 4.09Å; L301-L314 CarbonylContact O-C 3.43Å; L301-L314 WeakPolarHBondContact O-CA 3.18Å; L301-V315 HydrophobicContact CB-CB 4.39Å; L301-V315 PolarHBondContact N-O 2.9Å; L301-V315 PolarHBondContact O-N 3.23Å |
| 302 | E | 96.8 | Very high | 90.5 | Very high | 41 Ų | 41 | 40.3 Ų | 40.3 | 19% | 0.192 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 117.7 | 174.4 | 179.5 | -176.5 | 90.7 | 0 | 0 | 109.5 | I228 T229 R231 V304 F312 L313 L314 | I228-E302 CarbonylContact C-O 3.57Å; I228-E302 WeakPolarHBondContact CA-O 3.18Å; T229-E302 PolarHBondContact N-O 2.87Å; T229-E302 PolarHBondContact O-N 2.84Å; R231-E302 IonicContact CZ-OE1 2.99Å; R231-E302 IonicContact CZ-OE2 3.87Å; R231-E302 IonicContact NH1-OE1 2.67Å; R231-E302 PolarHBondContact NH1-OE1 3.38Å; R231-E302 IonicContact NH1-OE2 3.53Å; R231-E302 PolarHBondContact NH1-OE2 3.33Å; R231-E302 IonicContact NH2-OE1 2.98Å; R231-E302 PolarHBondContact NH2-OE1 2.77Å; R231-E302 VanDerWaalsContact NH2-OE1 3.14Å; R231-E302 IonicContact NH2-OE2 3.59Å; E302-V304 HydrophobicContact CG-CG2 4.13Å; E302-F312 HydrophobicContact CG-CB 4.21Å; E302-F312 HydrophobicContact CG-CD2 4.08Å; E302-F312 HydrophobicContact CG-CG 4.33Å; E302-L313 WeakPolarHBondContact CA-O 3.11Å; E302-L314 HydrophobicContact CB-CD1 4.26Å |
| 303 | L | 96 | Very high | 90.5 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 113.6 | 177.6 | -71.7 | 81.2 | 0 | 0 | 0 | 108.8 | C196 V217 L225 R227 I228 L301 F305 F312 L313 | C196-L303 HydrophobicContact CB-CD1 4.14Å; C196-L303 HydrophobicContact CB-CD2 3.9Å; V217-L303 HydrophobicContact CG1-CD2 4.01Å; V217-L303 HydrophobicContact CG2-CD2 3.66Å; L225-L303 HydrophobicContact CD1-CB 3.72Å; L225-L303 HydrophobicContact CD1-CD2 4.07Å; L225-L303 HydrophobicContact CD1-CG 4.14Å; L225-L303 HydrophobicContact CD2-CD2 4.46Å; R227-L303 WeakPolarHBondContact O-CA 3.28Å; I228-L303 HydrophobicContact CG1-CG 4.17Å; I228-L303 HydrophobicContact CG2-CD1 4.35Å; I228-L303 HydrophobicContact CG2-CG 4.23Å; L301-L303 HydrophobicContact CB-CD1 4.09Å; L303-F305 HydrophobicContact CB-CE2 3.69Å; L303-F305 HydrophobicContact CB-CZ 3.88Å; L303-F305 HydrophobicContact CD2-CZ 4.29Å; L303-F305 WeakPolarHBondContact O-CD2 3.31Å; L303-F305 WeakPolarHBondContact O-CE2 3.4Å; L303-F312 CarbonylContact O-C 3.55Å; L303-F312 WeakPolarHBondContact O-CA 3.46Å; L303-F312 WeakPolarHBondContact O-CB 3.38Å; L303-L313 HydrophobicContact CB-CB 4.24Å; L303-L313 PolarHBondContact N-O 2.78Å; L303-L313 PolarHBondContact O-N 2.79Å |
| 304 | V | 92.9 | Very high | 90.6 | Very high | 40 Ų | 40 | 42.3 Ų | 42.3 | 24% | 0.242 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 135.9 | -179.4 | -176.2 | 0 | 0 | 0 | 0 | 110 | L225 T226 R227 E302 F312 | L225-V304 WeakPolarHBondContact CD1-O 3.45Å; T226-V304 PolarHBondContact N-O 2.88Å; T226-V304 PolarHBondContact OG1-O 2.91Å; R227-V304 HydrophobicContact CB-CB 4.23Å; R227-V304 PolarHBondContact N-O 2.97Å; R227-V304 PolarHBondContact O-N 3.02Å; E302-V304 HydrophobicContact CG-CG2 4.13Å; V304-F312 HydrophobicContact CG2-CB 4.35Å |
| 305 | F | 88.8 | Confident | 90.8 | Very high | 6 Ų | 6 | 40.9 Ų | 40.9 | 3% | 0.026 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 150.7 | -178.2 | -61.5 | -90.2 | 0 | 0 | 0 | 111.5 | I194 A224 L225 L303 S307 L313 | I194-F305 HydrophobicContact CB-CZ 4.26Å; I194-F305 HydrophobicContact CD1-CD1 3.4Å; I194-F305 VanDerWaalsContact CD1-CD1 3.4Å; I194-F305 HydrophobicContact CD1-CD2 3.78Å; I194-F305 HydrophobicContact CD1-CE1 3.4Å; I194-F305 VanDerWaalsContact CD1-CE1 3.4Å; I194-F305 HydrophobicContact CD1-CE2 3.78Å; I194-F305 HydrophobicContact CD1-CG 3.62Å; I194-F305 HydrophobicContact CD1-CZ 3.63Å; I194-F305 HydrophobicContact CG1-CE1 4.42Å; I194-F305 HydrophobicContact CG1-CZ 4.47Å; I194-F305 HydrophobicContact CG2-CE1 3.69Å; I194-F305 HydrophobicContact CG2-CE2 3.69Å; I194-F305 HydrophobicContact CG2-CZ 3.13Å; A224-F305 CarbonylContact O-C 3.43Å; A224-F305 WeakPolarHBondContact O-CA 3.46Å; L225-F305 HydrophobicContact CB-CD1 3.95Å; L225-F305 HydrophobicContact CB-CE1 3.6Å; L225-F305 HydrophobicContact CB-CZ 4.4Å; L225-F305 HydrophobicContact CD1-CD1 4.13Å; L225-F305 HydrophobicContact CD1-CE1 3.52Å; L225-F305 HydrophobicContact CD1-CE2 4.07Å; L225-F305 HydrophobicContact CD1-CZ 3.45Å; L225-F305 VanDerWaalsContact CD1-CZ 3.45Å; L225-F305 HydrophobicContact CG-CE1 4.13Å; L225-F305 HydrophobicContact CG-CZ 4.46Å; L303-F305 HydrophobicContact CB-CE2 3.69Å; L303-F305 HydrophobicContact CB-CZ 3.88Å; L303-F305 HydrophobicContact CD2-CZ 4.29Å; L303-F305 WeakPolarHBondContact O-CD2 3.31Å; L303-F305 WeakPolarHBondContact O-CE2 3.4Å; F305-S307 PolarHBondContact O-N 2.7Å; F305-L313 HydrophobicContact CE2-CB 4.28Å |
| 306 | A | 86.8 | Confident | 90.9 | Very high | 60 Ų | 60 | 45 Ų | 45 | 50% | 0.496 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -68.8 | 70.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | S223 A224 T226 | S223-A306 VanDerWaalsContact CB-O 3.25Å; S223-A306 WeakPolarHBondContact CB-O 3.48Å; S223-A306 PolarHBondContact OG-O 3.04Å; A224-A306 PolarHBondContact O-N 3.18Å; T226-A306 HydrophobicContact CG2-CB 3.74Å |
| 307 | S | 76.8 | Confident | 91 | Very high | 22 Ų | 22 | 43.6 Ų | 43.6 | 15% | 0.154 | 23% | 0.226 | C | C | . | . | trans | -115.9 | 149.8 | 175 | 176.9 | 0 | 0 | 0 | 0 | 110 | F305 S309 | F305-S307 PolarHBondContact O-N 2.7Å; S307-S309 PolarHBondContact O-N 3.19Å; S307-S309 PolarHBondContact OG-N 2.91Å; S307-S309 PolarHBondContact OG-OG 2.67Å | ||
| 308 | R | 70.6 | Confident | 90.9 | Very high | 246 Ų | 246 | 47.2 Ų | 47.2 | 93% | 0.928 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -19.7 | 172.4 | -68.6 | -172.4 | 177.2 | -179.1 | -1 | 113.1 | ||
| 309 | S | 73.2 | Confident | 90.8 | Very high | 58 Ų | 58 | 46.3 Ų | 46.3 | 41% | 0.406 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 2.8 | -175.9 | 52.3 | 0 | 0 | 0 | 0 | 114.2 | S307 Q311 | S307-S309 PolarHBondContact O-N 3.19Å; S307-S309 PolarHBondContact OG-N 2.91Å; S307-S309 PolarHBondContact OG-OG 2.67Å; S309-Q311 PolarHBondContact O-N 2.95Å; S309-Q311 VanDerWaalsContact O-N 3.08Å; S309-Q311 WeakPolarHBondContact OG-CG 3.28Å; S309-Q311 PolarHBondContact OG-NE2 3.45Å; S309-Q311 VanDerWaalsContact OG-NE2 3.17Å; S309-Q311 PolarHBondContact OG-OE1 2.95Å |
| 310 | S | 76.9 | Confident | 90.6 | Very high | 97 Ų | 97 | 47.4 Ų | 47.4 | 68% | 0.678 | 25% | 0.251 | S | S | * | . | trans | 52.4 | 28.7 | -174 | -55.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 311 | Q | 84.4 | Confident | 90.4 | Very high | 43 Ų | 43 | 46.3 Ų | 46.3 | 20% | 0.201 | 25% | 0.246 | C | C | . | . | trans | -65.5 | 142.3 | 177.7 | -81.1 | 167.3 | 3.2 | 0 | 0 | 111 | V185 S309 | V185-Q311 VanDerWaalsContact CA-OE1 3.27Å; S309-Q311 PolarHBondContact O-N 2.95Å; S309-Q311 VanDerWaalsContact O-N 3.08Å; S309-Q311 WeakPolarHBondContact OG-CG 3.28Å; S309-Q311 PolarHBondContact OG-NE2 3.45Å; S309-Q311 VanDerWaalsContact OG-NE2 3.17Å; S309-Q311 PolarHBondContact OG-OE1 2.95Å | ||
| 312 | F | 92 | Very high | 90.2 | Very high | 99 Ų | 99 | 46.8 Ų | 46.8 | 43% | 0.434 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 155 | 174.2 | 62.3 | -86.4 | 0 | 0 | 0 | 109.4 | E302 L303 V304 L314 | E302-F312 HydrophobicContact CG-CB 4.21Å; E302-F312 HydrophobicContact CG-CD2 4.08Å; E302-F312 HydrophobicContact CG-CG 4.33Å; L303-F312 CarbonylContact O-C 3.55Å; L303-F312 WeakPolarHBondContact O-CA 3.46Å; L303-F312 WeakPolarHBondContact O-CB 3.38Å; V304-F312 HydrophobicContact CG2-CB 4.35Å; F312-L314 HydrophobicContact CD2-CB 4.16Å; F312-L314 HydrophobicContact CE2-CB 3.99Å |
| 313 | L | 95.3 | Very high | 89.9 | Confident | 3 Ų | 3 | 45.4 Ų | 45.4 | 2% | 0.016 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 128.2 | 166.5 | 167.7 | 63.6 | 0 | 0 | 0 | 107.7 | D181 E183 I194 C196 E302 L303 F305 V315 | D181-L313 HydrophobicContact CB-CD1 4.08Å; E183-L313 HydrophobicContact CB-CB 4.14Å; E183-L313 HydrophobicContact CB-CD1 3.92Å; I194-L313 HydrophobicContact CG2-CD2 4.15Å; C196-L313 HydrophobicContact CB-CD2 3.79Å; E302-L313 WeakPolarHBondContact CA-O 3.11Å; L303-L313 HydrophobicContact CB-CB 4.24Å; L303-L313 PolarHBondContact N-O 2.78Å; L303-L313 PolarHBondContact O-N 2.79Å; F305-L313 HydrophobicContact CE2-CB 4.28Å; L313-V315 HydrophobicContact CD2-CG2 4.43Å; L313-V315 HydrophobicContact CG-CG2 4.27Å |
| 314 | L | 96.8 | Very high | 89.7 | Confident | 44 Ų | 44 | 45.9 Ų | 45.9 | 23% | 0.23 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 118.1 | 174.2 | -174.7 | 68.5 | 0 | 0 | 0 | 108.9 | Q300 L301 E302 F312 Q316 | Q300-L314 HydrophobicContact CB-CD1 4.02Å; Q300-L314 HydrophobicContact CG-CD1 4.42Å; L301-L314 CarbonylContact O-C 3.43Å; L301-L314 WeakPolarHBondContact O-CA 3.18Å; E302-L314 HydrophobicContact CB-CD1 4.26Å; F312-L314 HydrophobicContact CD2-CB 4.16Å; F312-L314 HydrophobicContact CE2-CB 3.99Å; L314-Q316 HydrophobicContact CD2-CG 3.98Å; L314-Q316 HydrophobicContact CG-CG 3.96Å |
| 315 | V | 98.1 | Very high | 89.5 | Confident | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.012 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 122.2 | 169.8 | -171.8 | 0 | 0 | 0 | 0 | 108.2 | D181 C196 V198 Q300 L301 L313 V317 | D181-V315 HydrophobicContact CB-CG1 4.47Å; D181-V315 HydrophobicContact CB-CG2 4.08Å; C196-V315 HydrophobicContact CB-CG2 3.74Å; V198-V315 HydrophobicContact CG2-CB 4.31Å; V198-V315 HydrophobicContact CG2-CG1 3.88Å; Q300-V315 WeakPolarHBondContact CA-O 3.17Å; L301-V315 HydrophobicContact CB-CB 4.39Å; L301-V315 PolarHBondContact N-O 2.9Å; L301-V315 PolarHBondContact O-N 3.23Å; L313-V315 HydrophobicContact CD2-CG2 4.43Å; L313-V315 HydrophobicContact CG-CG2 4.27Å; V315-V317 HydrophobicContact CG1-CG2 4.37Å |
| 316 | Q | 97.9 | Very high | 89.2 | Confident | 95 Ų | 95 | 47.5 Ų | 47.5 | 44% | 0.444 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 129.7 | 178.7 | -57.6 | -178.3 | -90.8 | 0 | 0 | 110 | E298 L299 Q300 L314 | E298-Q316 PolarHBondContact OE1-NE2 2.79Å; L299-Q316 CarbonylContact O-C 3.56Å; L299-Q316 WeakPolarHBondContact O-CA 3.35Å; Q300-Q316 HydrophobicContact CG-CG 4.26Å; L314-Q316 HydrophobicContact CD2-CG 3.98Å; L314-Q316 HydrophobicContact CG-CG 3.96Å |
| 317 | V | 97.7 | Very high | 88.7 | Confident | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.006 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 104.1 | 179.8 | -173.4 | 0 | 0 | 0 | 0 | 108.7 | H179 V198 L200 L203 E298 L299 V315 L319 | H179-V317 HydrophobicContact CB-CG1 4.47Å; H179-V317 HydrophobicContact CB-CG2 3.69Å; V198-V317 HydrophobicContact CB-CG2 4.41Å; V198-V317 HydrophobicContact CG1-CG2 4.41Å; L200-V317 HydrophobicContact CD1-CB 4.49Å; L200-V317 HydrophobicContact CD1-CG1 3.72Å; L203-V317 HydrophobicContact CD2-CG1 3.97Å; E298-V317 WeakPolarHBondContact CA-O 3.42Å; L299-V317 HydrophobicContact CB-CB 4.22Å; L299-V317 HydrophobicContact CD2-CB 4.49Å; L299-V317 HydrophobicContact CD2-CG2 4.5Å; L299-V317 PolarHBondContact N-O 2.92Å; L299-V317 PolarHBondContact O-N 2.85Å; V315-V317 HydrophobicContact CG1-CG2 4.37Å; V317-L319 PolarHBondContact O-N 3.38Å |
| 318 | P | 95.7 | Very high | 88.2 | Confident | 81 Ų | 81 | 51.1 Ų | 51.1 | 53% | 0.526 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.6 | 130.5 | 173.8 | -21.9 | 33.4 | 0 | 0 | 0 | 110.3 | ||
| 319 | L | 95.2 | Very high | 87.4 | Confident | 8 Ų | 8 | 44.3 Ų | 44.3 | 4% | 0.042 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 167.7 | 178.4 | 64.3 | 77.2 | 0 | 0 | 0 | 110.5 | L203 Y205 L232 Y297 L299 V317 I321 | L203-L319 CarbonylContact O-C 3.6Å; L203-L319 WeakPolarHBondContact O-CA 3.34Å; L203-L319 WeakPolarHBondContact O-CB 3.25Å; Y205-L319 HydrophobicContact CD2-CD2 4.45Å; L232-L319 HydrophobicContact CD1-CD1 4.01Å; Y297-L319 CarbonylContact C-O 3.57Å; Y297-L319 PolarHBondContact O-N 2.83Å; L299-L319 HydrophobicContact CB-CD2 3.66Å; V317-L319 PolarHBondContact O-N 3.38Å; L319-I321 HydrophobicContact CD1-CD1 3.83Å; L319-I321 HydrophobicContact CD1-CG1 4.37Å |
| 320 | Q | 94.2 | Very high | 86.1 | Confident | 24 Ų | 24 | 46.8 Ų | 46.8 | 11% | 0.112 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 134.1 | 178.4 | -58.9 | -165.1 | 3.1 | 0 | 0 | 110.6 | L165 L173 L203 I204 Y205 S286 | L165-Q320 HydrophobicContact CD2-CG 4.28Å; L165-Q320 PolarHBondContact O-NE2 2.84Å; L173-Q320 HydrophobicContact CD1-CB 4.45Å; L173-Q320 HydrophobicContact CD1-CG 4.14Å; L173-Q320 HydrophobicContact CD2-CG 4.14Å; L203-Q320 PolarHBondContact O-N 2.7Å; I204-Q320 WeakPolarHBondContact CA-O 3.49Å; I204-Q320 HydrophobicContact CG1-CB 4.42Å; Y205-Q320 PolarHBondContact N-O 3.44Å; S286-Q320 WeakPolarHBondContact OG-CA 3.16Å |
| 321 | I | 94.9 | Very high | 83.9 | Confident | 3 Ų | 3 | 45.5 Ų | 45.5 | 2% | 0.015 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 122.9 | 160.6 | -56.2 | -52.5 | 0 | 0 | 0 | 108.2 | Y205 P207 L232 V280 A285 S286 Y297 L319 | Y205-I321 CarbonylContact O-C 3.59Å; Y205-I321 VanDerWaalsContact O-CA 3.29Å; Y205-I321 WeakPolarHBondContact O-CA 3.32Å; P207-I321 HydrophobicContact CG-CG2 4.18Å; L232-I321 HydrophobicContact CD2-CD1 4.34Å; V280-I321 HydrophobicContact CG1-CD1 3.82Å; V280-I321 HydrophobicContact CG1-CG2 4.36Å; V280-I321 HydrophobicContact CG2-CD1 4.16Å; A285-I321 CarbonylContact C-O 3.54Å; A285-I321 WeakPolarHBondContact CA-O 3.49Å; S286-I321 PolarHBondContact N-O 2.77Å; S286-I321 PolarHBondContact OG-N 3.45Å; S286-I321 PolarHBondContact OG-O 3.43Å; Y297-I321 HydrophobicContact CD1-CG1 3.87Å; Y297-I321 HydrophobicContact CD2-CB 3.83Å; Y297-I321 HydrophobicContact CD2-CG1 3.58Å; Y297-I321 HydrophobicContact CE1-CG1 4.11Å; Y297-I321 HydrophobicContact CE2-CB 3.76Å; Y297-I321 HydrophobicContact CE2-CG1 3.82Å; Y297-I321 HydrophobicContact CG-CB 4.37Å; Y297-I321 HydrophobicContact CG-CG1 3.59Å; L319-I321 HydrophobicContact CD1-CD1 3.83Å; L319-I321 HydrophobicContact CD1-CG1 4.37Å |
| 322 | G | 92.4 | Very high | 81.2 | Confident | 9 Ų | 9 | 47.3 Ų | 47.3 | 9% | 0.093 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -96.2 | 166.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y205 P207 | Y205-G322 PolarHBondContact O-N 3.23Å; P207-G322 WeakPolarHBondContact CD-O 3.45Å |
| 323 | S | 91.9 | Very high | 78.1 | Confident | 12 Ų | 12 | 49.6 Ų | 49.6 | 8% | 0.084 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -91 | 130.4 | 171.5 | -180 | 0 | 0 | 0 | 0 | 110.1 | L325 D326 M327 | S323-L325 PolarHBondContact O-N 3.33Å; S323-L325 VanDerWaalsContact O-N 3.09Å; S323-L325 WeakPolarHBondContact OG-CB 3.31Å; S323-L325 PolarHBondContact OG-N 3.48Å; S323-D326 PolarHBondContact O-N 3.33Å; S323-M327 PolarHBondContact O-N 3.41Å |
| 324 | P | 91.4 | Very high | 74.9 | Confident | 11 Ų | 11 | 54.7 Ų | 54.7 | 7% | 0.071 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | -54.1 | -22.1 | 168.2 | -31.6 | 34.5 | 0 | 0 | 0 | 114.8 | D326 F350 P381 L383 | P324-D326 VanDerWaalsContact C-N 3.26Å; P324-D326 PolarHBondContact O-N 2.96Å; P324-F350 HydrophobicContact CB-CB 4.37Å; P324-F350 HydrophobicContact CB-CD1 4.29Å; P324-F350 HydrophobicContact CB-CG 4.36Å; P324-P381 HydrophobicContact CB-CB 4.15Å; P324-P381 HydrophobicContact CB-CG 4.41Å; P324-P381 HydrophobicContact CG-CB 4.23Å; P324-P381 HydrophobicContact CG-CG 4.34Å; P324-P381 WeakPolarHBondContact CG-O 3.41Å; P324-L383 HydrophobicContact CB-CD2 3.94Å; P324-L383 HydrophobicContact CG-CD2 4.12Å; P324-L383 HydrophobicContact CG-CG 4.2Å |
| 325 | L | 88.8 | Confident | 71.6 | Confident | 47 Ų | 47 | 58.1 Ų | 58.1 | 25% | 0.246 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | -70.1 | -24.1 | 174.3 | -62.2 | 165.3 | 0 | 0 | 0 | 112.9 | F29 L157 S323 F350 P381 | F29-L325 HydrophobicContact CE1-CD1 3.85Å; F29-L325 HydrophobicContact CE1-CD2 4.46Å; F29-L325 HydrophobicContact CZ-CD1 4.44Å; L157-L325 HydrophobicContact CB-CD1 4.2Å; L157-L325 HydrophobicContact CD1-CD1 4.07Å; S323-L325 PolarHBondContact O-N 3.33Å; S323-L325 VanDerWaalsContact O-N 3.09Å; S323-L325 WeakPolarHBondContact OG-CB 3.31Å; S323-L325 PolarHBondContact OG-N 3.48Å; L325-F350 HydrophobicContact CD2-CE1 4.31Å; L325-F350 HydrophobicContact CD2-CE2 3.95Å; L325-F350 HydrophobicContact CD2-CZ 3.54Å; L325-P381 HydrophobicContact CD1-CG 4.06Å; L325-P381 HydrophobicContact CG-CB 4.49Å; L325-P381 HydrophobicContact CG-CG 3.97Å |
| 326 | D | 82.2 | Confident | 68.3 | Low | 32 Ų | 32 | 64.4 Ų | 64.4 | 17% | 0.171 | 41% | 0.411 | C | S | . | . | G | 310 helix | trans | -104.7 | 6.4 | -176 | -58.7 | 11.1 | 0 | 0 | 0 | 111.2 | R159 C161 S162 S323 P324 | R159-D326 VanDerWaalsContact C-OD1 3.3Å; R159-D326 VanDerWaalsContact O-OD1 3.07Å; C161-D326 WeakPolarHBondContact CA-OD2 3.31Å; C161-D326 WeakPolarHBondContact CB-OD2 3.33Å; C161-D326 PolarHBondContact N-OD2 2.84Å; S162-D326 PolarHBondContact N-OD2 2.61Å; S162-D326 PolarHBondContact OG-OD2 3.06Å; S323-D326 PolarHBondContact O-N 3.33Å; P324-D326 VanDerWaalsContact C-N 3.26Å; P324-D326 PolarHBondContact O-N 2.96Å |
| 327 | M | 76.7 | Confident | 64.9 | Low | 65 Ų | 65 | 68.2 Ų | 68.2 | 32% | 0.32 | 43% | 0.429 | S | S | . | . | S | Bend | trans | -58.3 | 135.4 | 176.5 | -83.4 | -74.2 | -78.5 | 0 | 0 | 109.7 | Y206 S323 T329 | Y206-M327 HydrophobicContact CD1-CG 3.95Å; Y206-M327 HydrophobicContact CD1-SD 3.75Å; Y206-M327 HydrophobicContact CD2-CE 4.43Å; Y206-M327 HydrophobicContact CD2-SD 3.57Å; Y206-M327 VanDerWaalsContact CD2-SD 3.57Å; Y206-M327 HydrophobicContact CE1-CG 3.76Å; Y206-M327 HydrophobicContact CE1-SD 3.35Å; Y206-M327 WeakPolarHBondContact CE1-SD 3.07Å; Y206-M327 HydrophobicContact CE2-CE 4.28Å; Y206-M327 HydrophobicContact CE2-SD 3.17Å; Y206-M327 WeakPolarHBondContact CE2-SD 3.31Å; Y206-M327 HydrophobicContact CG-CG 4.42Å; Y206-M327 HydrophobicContact CG-SD 3.85Å; Y206-M327 PolarHBondContact OH-SD 3.05Å; S323-M327 PolarHBondContact O-N 3.41Å; M327-T329 PolarHBondContact O-N 3.02Å |
| 328 | P | 66.4 | Low | 61.6 | Low | 94 Ų | 94 | 71.6 Ų | 71.6 | 61% | 0.61 | 46% | 0.464 | S | S | * | . | trans | -55.5 | 113.1 | 170.7 | -21.3 | 31.3 | 0 | 0 | 0 | 109.1 | D330 | P328-D330 PolarHBondContact O-N 3.16Š| ||
| 329 | T | 52.7 | Low | 58.4 | Low | 103 Ų | 103 | 77.3 Ų | 77.3 | 63% | 0.632 | 48% | 0.484 | S | S | * | . | trans | -69.3 | 130.9 | 172.9 | 36.5 | 0 | 0 | 0 | 0 | 109.1 | M327 G331 | M327-T329 PolarHBondContact O-N 3.02Å; T329-G331 PolarHBondContact O-N 2.77Å | ||
| 330 | D | 46.1 | Very low | 55.3 | Low | 110 Ų | 110 | 81.6 Ų | 81.6 | 59% | 0.588 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -63.3 | 102.9 | 172.6 | -154.6 | 22.4 | 0 | 0 | 0 | 108.4 | P328 | P328-D330 PolarHBondContact O-N 3.16Š|
| 331 | G | 30.8 | Very low | 52.2 | Low | 70 Ų | 70 | 90.1 Ų | 90.1 | 72% | 0.722 | 56% | 0.557 | S | S | * | * | trans | 125.9 | 114.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | T329 | T329-G331 PolarHBondContact O-N 2.77Š| ||
| 332 | G | 28.9 | Very low | 49.1 | Very low | 81 Ų | 81 | 98.4 Ų | 98.4 | 84% | 0.835 | 60% | 0.595 | S | S | * | * | S | Bend | trans | 170.8 | 82.1 | 166.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 333 | D | 26.4 | Very low | 46.1 | Very low | 147 Ų | 147 | 103.5 Ų | 103.5 | 79% | 0.786 | 63% | 0.627 | S | S | * | * | trans | 69.7 | 80.5 | 172.4 | -110.1 | -2.7 | 0 | 0 | 0 | 118.4 | T335 | D333-T335 VanDerWaalsContact C-N 3.27Å; D333-T335 PolarHBondContact O-N 2.91Å | ||
| 334 | A | 28.6 | Very low | 43.6 | Very low | 109 Ų | 109 | 108.3 Ų | 108.3 | 90% | 0.901 | 65% | 0.651 | S | S | * | * | trans | -68.6 | 88.3 | 152.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 335 | T | 26.3 | Very low | 41 | Very low | 116 Ų | 116 | 112.2 Ų | 112.2 | 71% | 0.712 | 68% | 0.676 | S | S | * | * | trans | -116.2 | 129.3 | 147.4 | 44 | 0 | 0 | 0 | 0 | 109.1 | D333 | D333-T335 VanDerWaalsContact C-N 3.27Å; D333-T335 PolarHBondContact O-N 2.91Å | ||
| 336 | D | 28.8 | Very low | 39 | Very low | 135 Ų | 135 | 113.5 Ų | 113.5 | 72% | 0.722 | 69% | 0.693 | S | S | * | * | S | Bend | trans | 88.3 | 107.2 | 167.4 | -129.5 | 19.8 | 0 | 0 | 0 | 119.8 | ||
| 337 | Q | 27.5 | Very low | 37.7 | Very low | 175 Ų | 175 | 118.5 Ų | 118.5 | 82% | 0.818 | 72% | 0.72 | S | S | * | * | trans | 50.1 | 116.5 | 143.6 | -69.3 | 172.4 | 58 | 0 | 0 | 121.1 | ||||
| 338 | G | 26.9 | Very low | 37.2 | Very low | 71 Ų | 71 | 119.9 Ų | 119.9 | 73% | 0.732 | 72% | 0.724 | S | S | * | * | trans | 102.9 | 111.5 | 132.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 339 | E | 28.3 | Very low | 38.3 | Very low | 202 Ų | 202 | 119 Ų | 119 | 94% | 0.944 | 72% | 0.72 | S | S | * | * | trans | 84.5 | 125.6 | 145.4 | -59 | -175.2 | 157.8 | 0 | 0 | 121.2 | ||||
| 340 | A | 31.4 | Very low | 40.2 | Very low | 98 Ų | 98 | 117.6 Ų | 117.6 | 81% | 0.81 | 71% | 0.706 | S | S | * | * | trans | 55.5 | 77.8 | 161.3 | 0 | 0 | 0 | 0 | 0 | 119.3 | H342 | A340-H342 PolarHBondContact O-N 2.91Š| ||
| 341 | K | 28 | Very low | 42.5 | Very low | 202 Ų | 202 | 118 Ų | 118 | 88% | 0.878 | 70% | 0.702 | S | S | * | * | trans | -73.2 | 102.1 | 166.6 | -70.5 | -179 | 177.1 | -177.8 | 0 | 111.8 | P343 | K341-P343 WeakPolarHBondContact O-CD 3.23Š| ||
| 342 | H | 31 | Very low | 45.6 | Very low | 178 Ų | 178 | 118.3 Ų | 118.3 | 82% | 0.824 | 68% | 0.682 | S | S | * | * | trans | -81.2 | 109.1 | 137.4 | -80.1 | -76.4 | 0 | 0 | 0 | 106.4 | A340 L344 | A340-H342 PolarHBondContact O-N 2.91Å; H342-L344 PolarHBondContact O-N 2.77Å; H342-L344 VanDerWaalsContact O-N 3.15Å | ||
| 343 | P | 29.9 | Very low | 48.9 | Very low | 116 Ų | 116 | 116.8 Ų | 116.8 | 75% | 0.753 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 118.7 | 175.1 | 24.2 | -30.7 | 0 | 0 | 0 | 108.9 | K341 | K341-P343 WeakPolarHBondContact O-CD 3.23Š|
| 344 | L | 39.2 | Very low | 52.3 | Low | 113 Ų | 113 | 115.8 Ų | 115.8 | 59% | 0.592 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 136.8 | 173.9 | -68.3 | 168.3 | 0 | 0 | 0 | 108.3 | H342 A346 | H342-L344 PolarHBondContact O-N 2.77Å; H342-L344 VanDerWaalsContact O-N 3.15Å; L344-A346 PolarHBondContact O-N 3.29Å |
| 345 | P | 36.8 | Very low | 55.6 | Low | 93 Ų | 93 | 111.1 Ų | 111.1 | 60% | 0.604 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 134.2 | -173.9 | 22.6 | -30.4 | 0 | 0 | 0 | 112.3 | ||
| 346 | A | 45.4 | Very low | 59 | Low | 73 Ų | 73 | 108.8 Ų | 108.8 | 60% | 0.603 | 59% | 0.593 | S | S | * | * | trans | -42.2 | 142.2 | 179 | 0 | 0 | 0 | 0 | 0 | 114.3 | L344 K348 | L344-A346 PolarHBondContact O-N 3.29Å; A346-K348 PolarHBondContact O-N 3.39Å | ||
| 347 | N | 55.2 | Low | 62.3 | Low | 138 Ų | 138 | 105.5 Ų | 105.5 | 74% | 0.738 | 57% | 0.573 | S | S | * | * | trans | -15.3 | 81.4 | 171.6 | -141.5 | 1.4 | 0 | 0 | 0 | 113.8 | S349 | N347-S349 PolarHBondContact O-N 3.19Å; N347-S349 VanDerWaalsContact O-N 3.12Å | ||
| 348 | K | 66.7 | Low | 65.5 | Low | 93 Ų | 93 | 98.4 Ų | 98.4 | 40% | 0.404 | 55% | 0.546 | S | S | . | . | trans | -67.4 | 117.5 | -177.1 | -72.8 | -172.5 | 178.5 | -174.7 | 0 | 107.8 | A346 L383 | A346-K348 PolarHBondContact O-N 3.39Å; K348-L383 HydrophobicContact CB-CD2 3.82Å; K348-L383 HydrophobicContact CD-CD1 4.05Å; K348-L383 HydrophobicContact CD-CD2 4.28Å | ||
| 349 | S | 88.5 | Confident | 68.7 | Low | 76 Ų | 76 | 98.2 Ų | 98.2 | 53% | 0.531 | 53% | 0.532 | S | S | . | . | trans | -59.7 | 146.6 | 169.7 | 58.7 | 0 | 0 | 0 | 0 | 109.8 | N347 N384 | N347-S349 PolarHBondContact O-N 3.19Å; N347-S349 VanDerWaalsContact O-N 3.12Å; S349-N384 WeakPolarHBondContact CB-ND2 3.41Å; S349-N384 WeakPolarHBondContact O-CB 3.45Å; S349-N384 PolarHBondContact O-N 3.15Å; S349-N384 PolarHBondContact O-ND2 3.45Å; S349-N384 PolarHBondContact OG-ND2 3.01Å | ||
| 350 | F | 92.4 | Very high | 71.8 | Confident | 73 Ų | 73 | 90 Ų | 90 | 32% | 0.32 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 162.5 | 177 | 58 | -95.7 | 0 | 0 | 0 | 110.2 | P324 L325 Y352 P381 V382 | P324-F350 HydrophobicContact CB-CB 4.37Å; P324-F350 HydrophobicContact CB-CD1 4.29Å; P324-F350 HydrophobicContact CB-CG 4.36Å; L325-F350 HydrophobicContact CD2-CE1 4.31Å; L325-F350 HydrophobicContact CD2-CE2 3.95Å; L325-F350 HydrophobicContact CD2-CZ 3.54Å; F350-Y352 HydrophobicContact CE2-CE1 4.08Å; F350-Y352 HydrophobicContact CE2-CE2 4.25Å; F350-Y352 AromaticContact CE2-CZ 3.73Å; F350-P381 HydrophobicContact CD2-CB 3.61Å; F350-P381 HydrophobicContact CE2-CB 4.05Å; F350-P381 HydrophobicContact CG-CB 4.16Å; F350-V382 CarbonylContact C-O 3.6Å; F350-V382 WeakPolarHBondContact CA-O 3.31Å; F350-V382 VanDerWaalsContact CB-O 3.23Å; F350-V382 WeakPolarHBondContact CB-O 3.27Å |
| 351 | K | 95 | Very high | 74.6 | Confident | 119 Ų | 119 | 88.5 Ų | 88.5 | 52% | 0.517 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 155.1 | 173.1 | 61.2 | 178.7 | -179.5 | -175 | 0 | 110.1 | V353 P381 V382 | K351-V353 HydrophobicContact CD-CG2 4.1Å; K351-V353 HydrophobicContact CG-CG2 3.8Å; K351-P381 CarbonylContact O-C 3.55Å; K351-P381 WeakPolarHBondContact O-CA 3.41Å; K351-V382 PolarHBondContact N-O 2.91Å; K351-V382 PolarHBondContact O-N 2.76Å |
| 352 | Y | 96.6 | Very high | 77.3 | Confident | 76 Ų | 76 | 81.8 Ų | 81.8 | 30% | 0.298 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 122.8 | 176.2 | -65.5 | -69.2 | 0 | 0 | 0 | 109.9 | L27 F29 L157 F350 V379 Y380 P381 | L27-Y352 HydrophobicContact CD2-CD1 3.42Å; L27-Y352 VanDerWaalsContact CD2-CD1 3.42Å; L27-Y352 HydrophobicContact CD2-CD2 3.7Å; L27-Y352 HydrophobicContact CD2-CE1 3.49Å; L27-Y352 VanDerWaalsContact CD2-CE1 3.49Å; L27-Y352 HydrophobicContact CD2-CE2 3.75Å; L27-Y352 HydrophobicContact CD2-CG 3.53Å; F29-Y352 WeakPolarHBondContact CZ-OH 3.43Å; L157-Y352 HydrophobicContact CD1-CD1 4.18Å; L157-Y352 HydrophobicContact CD1-CE1 3.78Å; F350-Y352 HydrophobicContact CE2-CE1 4.08Å; F350-Y352 HydrophobicContact CE2-CE2 4.25Å; F350-Y352 AromaticContact CE2-CZ 3.73Å; Y352-V379 VanDerWaalsContact C-CG1 3.5Å; Y352-Y380 WeakPolarHBondContact CA-O 3.44Å; Y352-P381 HydrophobicContact CD1-CB 4.22Å; Y352-P381 HydrophobicContact CE1-CB 4.05Å |
| 353 | V | 97.4 | Very high | 79.7 | Confident | 50 Ų | 50 | 81.6 Ų | 81.6 | 30% | 0.303 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 138 | -175.7 | -173 | 0 | 0 | 0 | 0 | 109.7 | S282 K351 V379 Y380 V382 | S282-V353 PolarHBondContact OG-O 3.1Å; K351-V353 HydrophobicContact CD-CG2 4.1Å; K351-V353 HydrophobicContact CG-CG2 3.8Å; V353-V379 VanDerWaalsContact C-CG1 3.5Å; V353-V379 WeakPolarHBondContact O-CA 3.31Å; V353-V379 WeakPolarHBondContact O-CG1 3.3Å; V353-Y380 PolarHBondContact N-O 3.23Å; V353-Y380 PolarHBondContact O-N 2.7Å; V353-V382 HydrophobicContact CB-CG2 3.76Å; V353-V382 HydrophobicContact CG2-CB 3.93Å; V353-V382 HydrophobicContact CG2-CG2 3.69Å |
| 354 | Q | 97.8 | Very high | 82.1 | Confident | 126 Ų | 126 | 77.2 Ų | 77.2 | 59% | 0.589 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -54.8 | 142.2 | 173.8 | -75.7 | -177.7 | -15.1 | 0 | 0 | 111.5 | S282 T377 V379 | S282-Q354 VanDerWaalsContact CB-O 3.24Å; S282-Q354 WeakPolarHBondContact CB-O 3.4Å; S282-Q354 PolarHBondContact OG-O 3.36Å; Q354-T377 HydrophobicContact CB-CG2 3.75Å; Q354-T377 HydrophobicContact CG-CG2 4.17Å; Q354-V379 HydrophobicContact CG-CG2 4.24Å |
| 355 | C | 98.1 | Very high | 83.7 | Confident | 11 Ų | 11 | 76.7 Ų | 76.7 | 7% | 0.074 | 43% | 0.43 | C | S | . | . | trans | -49.7 | 137.3 | 176 | -172.1 | 0 | 0 | 0 | 0 | 111.9 | F357 G358 T377 P378 Y380 | C355-F357 PolarHBondContact O-N 3.02Å; C355-F357 VanDerWaalsContact O-N 3.09Å; C355-G358 PolarHBondContact O-N 2.73Å; C355-T377 HydrophobicContact CB-CG2 3.78Å; C355-P378 WeakPolarHBondContact CB-O 3.42Å; C355-P378 PolarHBondContact N-O 2.94Å; C355-Y380 HydrophobicContact CB-CD2 4.14Å; C355-Y380 HydrophobicContact CB-CE2 3.69Å | ||
| 356 | V | 98 | Very high | 85.8 | Confident | 67 Ų | 67 | 75.5 Ų | 75.5 | 41% | 0.406 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -25.1 | 179.6 | 70 | 0 | 0 | 0 | 0 | 113.8 | V255 P281 S282 L283 G358 | V255-V356 HydrophobicContact CG1-CG1 4.25Å; P281-V356 HydrophobicContact CB-CB 3.94Å; P281-V356 HydrophobicContact CB-CG1 4.46Å; P281-V356 HydrophobicContact CB-CG2 3.83Å; P281-V356 HydrophobicContact CG-CB 4.09Å; P281-V356 HydrophobicContact CG-CG1 4.08Å; P281-V356 HydrophobicContact CG-CG2 3.98Å; S282-V356 PolarHBondContact O-N 2.83Å; L283-V356 HydrophobicContact CD2-CG1 3.46Å; L283-V356 VanDerWaalsContact CD2-CG1 3.46Å; L283-V356 HydrophobicContact CG-CG1 3.96Å; V356-G358 PolarHBondContact O-N 2.9Å |
| 357 | F | 97.1 | Very high | 87.5 | Confident | 66 Ų | 66 | 72.5 Ų | 72.5 | 29% | 0.289 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -6.7 | 179 | -63.2 | -62.4 | 0 | 0 | 0 | 113.8 | Q234 R253 V255 L283 C355 | Q234-F357 HydrophobicContact CB-CZ 4.47Å; R253-F357 HydrophobicContact CB-CE1 4.44Å; R253-F357 HydrophobicContact CG-CE1 3.92Å; R253-F357 HydrophobicContact CG-CE2 4.38Å; R253-F357 HydrophobicContact CG-CZ 3.63Å; V255-F357 HydrophobicContact CB-CZ 4.45Å; V255-F357 HydrophobicContact CG2-CE2 4.41Å; V255-F357 HydrophobicContact CG2-CZ 3.68Å; L283-F357 HydrophobicContact CD2-CD2 3.85Å; L283-F357 HydrophobicContact CD2-CE2 3.3Å; L283-F357 HydrophobicContact CD2-CZ 4.08Å; C355-F357 PolarHBondContact O-N 3.02Å; C355-F357 VanDerWaalsContact O-N 3.09Å |
| 358 | G | 95.7 | Very high | 88.6 | Confident | 25 Ų | 25 | 67.2 Ų | 67.2 | 26% | 0.258 | 37% | 0.371 | S | S | . | . | trans | 71.9 | -165.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | C355 V356 T377 | C355-G358 PolarHBondContact O-N 2.73Å; V356-G358 PolarHBondContact O-N 2.9Å; G358-T377 WeakPolarHBondContact O-CG2 3.39Å | ||
| 359 | P | 94.7 | Very high | 89 | Confident | 67 Ų | 67 | 63.3 Ų | 63.3 | 44% | 0.435 | 36% | 0.355 | S | S | . | . | trans | -76.7 | 139.5 | -171.3 | 29 | -33.6 | 0 | 0 | 0 | 113 | E375 F376 T377 | P359-E375 HydrophobicContact CB-CB 4.04Å; P359-F376 WeakPolarHBondContact CA-O 3.12Å; P359-T377 WeakPolarHBondContact CA-OG1 3.18Å; P359-T377 WeakPolarHBondContact CB-OG1 3.2Å | ||
| 360 | S | 92.6 | Very high | 88.2 | Confident | 31 Ų | 31 | 65.3 Ų | 65.3 | 22% | 0.217 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 137.1 | 157.6 | -57 | 0 | 0 | 0 | 0 | 109.1 | E126 E375 F376 | E126-S360 WeakPolarHBondContact CB-OG 3.5Å; S360-E375 WeakPolarHBondContact O-CA 3.12Å; S360-F376 PolarHBondContact N-O 3.42Å; S360-F376 PolarHBondContact O-N 2.86Å |
| 361 | V | 90.7 | Very high | 87.1 | Confident | 66 Ų | 66 | 66.5 Ų | 66.5 | 40% | 0.4 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 133 | -172.7 | -174.7 | 0 | 0 | 0 | 0 | 110.1 | R373 I374 E375 | V361-R373 HydrophobicContact CG1-CG 3.57Å; V361-I374 CarbonylContact C-O 3.57Å; V361-I374 WeakPolarHBondContact CA-O 3.38Å; V361-E375 HydrophobicContact CG2-CG 4.18Å |
| 362 | F | 83.9 | Confident | 86.5 | Confident | 61 Ų | 61 | 63.6 Ų | 63.6 | 27% | 0.268 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 149.6 | 178.6 | -41.9 | -79 | 0 | 0 | 0 | 110.3 | R133 I374 F376 | R133-F362 VanDerWaalsContact CZ-CE1 3.47Å; R133-F362 VanDerWaalsContact NH2-CE1 3.26Å; F362-I374 PolarHBondContact N-O 2.92Å; F362-I374 PolarHBondContact O-N 2.94Å; F362-F376 HydrophobicContact CE2-CB 4.25Å |
| 363 | E | 82.8 | Confident | 86 | Confident | 174 Ų | 174 | 67.4 Ų | 67.4 | 81% | 0.813 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 134.8 | 177.7 | -68.7 | -173.8 | 174.8 | 0 | 0 | 111.7 | N372 | E363-N372 CarbonylContact C-O 3.52Å; E363-N372 WeakPolarHBondContact CA-O 3.44Å |
| 364 | M | 78.6 | Confident | 85.6 | Confident | 23 Ų | 23 | 65.9 Ų | 65.9 | 11% | 0.113 | 37% | 0.372 | C | S | . | . | trans | -104.6 | 101.6 | 174.9 | -62.8 | -165.1 | 79.9 | 0 | 0 | 110.6 | V149 T150 E151 S366 N367 N372 I374 | V149-M364 HydrophobicContact CB-CE 4.26Å; V149-M364 HydrophobicContact CG1-CE 3.74Å; V149-M364 WeakPolarHBondContact O-CE 3.23Å; T150-M364 VanDerWaalsContact CA-CE 3.5Å; E151-M364 HydrophobicContact CB-CE 3.61Å; E151-M364 HydrophobicContact CB-SD 3.76Å; E151-M364 PolarHBondContact N-SD 2.85Å; M364-S366 PolarHBondContact O-N 2.87Å; M364-N367 HydrophobicContact CB-CB 3.76Å; M364-N367 PolarHBondContact O-N 3.35Å; M364-N367 HydrophobicContact SD-CB 4.26Å; M364-N372 PolarHBondContact N-O 2.82Å; M364-N372 WeakPolarHBondContact O-CB 3.32Å; M364-I374 HydrophobicContact CG-CD1 3.55Å; M364-I374 HydrophobicContact CG-CG1 4.21Å; M364-I374 HydrophobicContact SD-CD1 3.36Å; M364-I374 WeakPolarHBondContact SD-CD1 3.39Å; M364-I374 HydrophobicContact SD-CG1 4.22Å | ||
| 365 | A | 74.5 | Confident | 85.3 | Confident | 102 Ų | 102 | 64.7 Ų | 64.7 | 84% | 0.843 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -27.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 366 | S | 80.8 | Confident | 85.1 | Confident | 68 Ų | 68 | 64.7 Ų | 64.7 | 48% | 0.476 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | 9.1 | -175.2 | -51.8 | 0 | 0 | 0 | 0 | 114.4 | V149 M364 | V149-S366 PolarHBondContact N-O 2.79Å; V149-S366 CarbonylContact O-C 3.55Å; M364-S366 PolarHBondContact O-N 2.87Å |
| 367 | N | 81.2 | Confident | 85.1 | Confident | 11 Ų | 11 | 62.3 Ų | 62.3 | 6% | 0.059 | 35% | 0.351 | C | S | . | . | trans | -84.3 | 123.7 | 176.6 | -172.8 | -15.8 | 0 | 0 | 0 | 109.9 | V149 T150 M364 S369 L371 N372 | V149-N367 WeakPolarHBondContact O-CA 3.44Å; V149-N367 VanDerWaalsContact O-CB 3.26Å; V149-N367 WeakPolarHBondContact O-CB 3.36Å; V149-N367 PolarHBondContact O-N 2.87Å; T150-N367 PolarHBondContact OG1-ND2 3.04Å; M364-N367 HydrophobicContact CB-CB 3.76Å; M364-N367 PolarHBondContact O-N 3.35Å; M364-N367 HydrophobicContact SD-CB 4.26Å; N367-S369 VanDerWaalsContact C-N 3.28Å; N367-S369 PolarHBondContact O-N 2.9Å; N367-S369 WeakPolarHBondContact OD1-CB 3.36Å; N367-S369 PolarHBondContact OD1-N 2.91Å; N367-L371 PolarHBondContact ND2-O 2.83Å; N367-N372 VanDerWaalsContact CB-OD1 3.3Å; N367-N372 WeakPolarHBondContact CB-OD1 3.39Å; N367-N372 PolarHBondContact O-OD1 3.49Å | ||
| 368 | P | 77.3 | Confident | 85.1 | Confident | 26 Ų | 26 | 59.3 Ų | 59.3 | 17% | 0.169 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -75.4 | -15 | 179.2 | 31.3 | -38.3 | 0 | 0 | 0 | 113.9 | I14 F17 Y148 | I14-P368 HydrophobicContact CB-CB 4.14Å; I14-P368 HydrophobicContact CB-CG 4.21Å; I14-P368 HydrophobicContact CD1-CB 4.22Å; I14-P368 HydrophobicContact CD1-CG 3.81Å; I14-P368 HydrophobicContact CG2-CB 4.28Å; I14-P368 HydrophobicContact CG2-CG 3.92Å; F17-P368 HydrophobicContact CB-CG 3.97Å; F17-P368 HydrophobicContact CD1-CG 3.97Å; F17-P368 HydrophobicContact CG-CG 4.43Å; Y148-P368 HydrophobicContact CD1-CB 3.62Å; Y148-P368 HydrophobicContact CD1-CG 3.82Å; Y148-P368 HydrophobicContact CE1-CB 3.83Å; Y148-P368 HydrophobicContact CE1-CG 4.47Å; Y148-P368 HydrophobicContact CG-CB 4.12Å; Y148-P368 HydrophobicContact CG-CG 3.86Å |
| 369 | S | 75.1 | Confident | 85.2 | Confident | 11 Ų | 11 | 58.4 Ų | 58.4 | 8% | 0.077 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -71.3 | 163.7 | 174.8 | -177.6 | 0 | 0 | 0 | 0 | 110.9 | N367 L371 N372 | N367-S369 VanDerWaalsContact C-N 3.28Å; N367-S369 PolarHBondContact O-N 2.9Å; N367-S369 WeakPolarHBondContact OD1-CB 3.36Å; N367-S369 PolarHBondContact OD1-N 2.91Å; S369-L371 PolarHBondContact O-N 3.35Å; S369-L371 WeakPolarHBondContact OG-CB 3.4Å; S369-L371 PolarHBondContact OG-N 2.69Å; S369-L371 VanDerWaalsContact OG-N 3.1Å; S369-N372 PolarHBondContact O-OD1 3.08Å |
| 370 | S | 71.4 | Confident | 85.3 | Confident | 118 Ų | 118 | 55.4 Ų | 55.4 | 83% | 0.825 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -69.5 | -13.5 | 163.6 | 54.2 | 0 | 0 | 0 | 0 | 112.6 | N372 | S370-N372 PolarHBondContact O-N 2.92Š|
| 371 | L | 70.7 | Confident | 85.5 | Confident | 99 Ų | 99 | 54.1 Ų | 54.1 | 52% | 0.518 | 30% | 0.299 | S | S | . | . | trans | -83.4 | 54.6 | -179.1 | -60.7 | 172.9 | 0 | 0 | 0 | 112.4 | N367 S369 R373 | N367-L371 PolarHBondContact ND2-O 2.83Å; S369-L371 PolarHBondContact O-N 3.35Å; S369-L371 WeakPolarHBondContact OG-CB 3.4Å; S369-L371 PolarHBondContact OG-N 2.69Å; S369-L371 VanDerWaalsContact OG-N 3.1Å; L371-R373 PolarHBondContact O-N 2.98Å | ||
| 372 | N | 81.5 | Confident | 85.7 | Confident | 57 Ų | 57 | 51.8 Ų | 51.8 | 31% | 0.305 | 28% | 0.284 | S | S | . | . | trans | -74.1 | -17 | 177 | -67.3 | -7 | 0 | 0 | 0 | 112.5 | E363 M364 N367 S369 S370 | E363-N372 CarbonylContact C-O 3.52Å; E363-N372 WeakPolarHBondContact CA-O 3.44Å; M364-N372 PolarHBondContact N-O 2.82Å; M364-N372 WeakPolarHBondContact O-CB 3.32Å; N367-N372 VanDerWaalsContact CB-OD1 3.3Å; N367-N372 WeakPolarHBondContact CB-OD1 3.39Å; N367-N372 PolarHBondContact O-OD1 3.49Å; S369-N372 PolarHBondContact O-OD1 3.08Å; S370-N372 PolarHBondContact O-N 2.92Å | ||
| 373 | R | 86.1 | Confident | 86.3 | Confident | 156 Ų | 156 | 49.4 Ų | 49.4 | 59% | 0.589 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 114.3 | -179.5 | -178.7 | 175.4 | 165.8 | 161.1 | -0.9 | 110 | V361 L371 E375 | V361-R373 HydrophobicContact CG1-CG 3.57Å; L371-R373 PolarHBondContact O-N 2.98Å; R373-E375 HydrophobicContact CG-CG 4.44Å; R373-E375 IonicContact CZ-OE1 3.56Å; R373-E375 IonicContact NE-OE1 2.91Å; R373-E375 PolarHBondContact NE-OE1 2.89Å; R373-E375 IonicContact NH2-OE1 3.16Å; R373-E375 PolarHBondContact NH2-OE1 2.79Å |
| 374 | I | 88.2 | Confident | 86.6 | Confident | 18 Ų | 18 | 44.1 Ų | 44.1 | 9% | 0.092 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 130.6 | 172.5 | -63.6 | 171.7 | 0 | 0 | 0 | 108.5 | E151 P153 V361 F362 M364 | E151-I374 HydrophobicContact CB-CD1 3.84Å; E151-I374 HydrophobicContact CG-CD1 4.42Å; E151-I374 WeakPolarHBondContact O-CD1 3.4Å; P153-I374 HydrophobicContact CG-CG2 3.84Å; V361-I374 CarbonylContact C-O 3.57Å; V361-I374 WeakPolarHBondContact CA-O 3.38Å; F362-I374 PolarHBondContact N-O 2.92Å; F362-I374 PolarHBondContact O-N 2.94Å; M364-I374 HydrophobicContact CG-CD1 3.55Å; M364-I374 HydrophobicContact CG-CG1 4.21Å; M364-I374 HydrophobicContact SD-CD1 3.36Å; M364-I374 WeakPolarHBondContact SD-CD1 3.39Å; M364-I374 HydrophobicContact SD-CG1 4.22Å |
| 375 | E | 91.8 | Very high | 86.3 | Confident | 102 Ų | 102 | 51.8 Ų | 51.8 | 48% | 0.477 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 133.4 | 170.9 | -55.8 | -164.4 | 156.6 | 0 | 0 | 109.6 | P359 S360 V361 R373 | P359-E375 HydrophobicContact CB-CB 4.04Å; S360-E375 WeakPolarHBondContact O-CA 3.12Å; V361-E375 HydrophobicContact CG2-CG 4.18Å; R373-E375 HydrophobicContact CG-CG 4.44Å; R373-E375 IonicContact CZ-OE1 3.56Å; R373-E375 IonicContact NE-OE1 2.91Å; R373-E375 PolarHBondContact NE-OE1 2.89Å; R373-E375 IonicContact NH2-OE1 3.16Å; R373-E375 PolarHBondContact NH2-OE1 2.79Å |
| 376 | F | 95.1 | Very high | 86.9 | Confident | 11 Ų | 11 | 49.3 Ų | 49.3 | 5% | 0.048 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 122.2 | 179.6 | 179.7 | -124.5 | 0 | 0 | 0 | 111.4 | E126 R133 P153 P359 S360 F362 P378 | E126-F376 HydrophobicContact CG-CD1 4.05Å; E126-F376 HydrophobicContact CG-CE1 4.16Å; E126-F376 WeakPolarHBondContact OE1-CD1 3.12Å; R133-F376 HydrophobicContact CG-CE1 4.35Å; P153-F376 HydrophobicContact CB-CB 4.21Å; P153-F376 HydrophobicContact CB-CD1 4.17Å; P153-F376 HydrophobicContact CB-CD2 3.73Å; P153-F376 HydrophobicContact CB-CE2 4.12Å; P153-F376 HydrophobicContact CB-CG 3.76Å; P153-F376 HydrophobicContact CB-CZ 4.5Å; P153-F376 HydrophobicContact CG-CB 3.55Å; P153-F376 HydrophobicContact CG-CD1 4.44Å; P153-F376 HydrophobicContact CG-CD2 3.68Å; P153-F376 HydrophobicContact CG-CG 3.63Å; P359-F376 WeakPolarHBondContact CA-O 3.12Å; S360-F376 PolarHBondContact N-O 3.42Å; S360-F376 PolarHBondContact O-N 2.86Å; F362-F376 HydrophobicContact CE2-CB 4.25Å; F376-P378 HydrophobicContact CD1-CG 4.33Å; F376-P378 HydrophobicContact CE1-CG 3.67Å; F376-P378 HydrophobicContact CZ-CB 4.38Å; F376-P378 HydrophobicContact CZ-CG 3.91Å |
| 377 | T | 97.2 | Very high | 87.2 | Confident | 17 Ų | 17 | 48.3 Ų | 48.3 | 10% | 0.104 | 27% | 0.27 | C | S | . | . | trans | -121.9 | 111.6 | 170.8 | -47.3 | 0 | 0 | 0 | 0 | 108 | Q354 C355 G358 P359 | Q354-T377 HydrophobicContact CB-CG2 3.75Å; Q354-T377 HydrophobicContact CG-CG2 4.17Å; C355-T377 HydrophobicContact CB-CG2 3.78Å; G358-T377 WeakPolarHBondContact O-CG2 3.39Å; P359-T377 WeakPolarHBondContact CA-OG1 3.18Å; P359-T377 WeakPolarHBondContact CB-OG1 3.2Å | ||
| 378 | P | 97.6 | Very high | 87.5 | Confident | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.013 | 28% | 0.282 | C | S | . | . | trans | -54.7 | 147 | 170.9 | -24.7 | 32.3 | 0 | 0 | 0 | 111.4 | E126 C355 F376 Y380 | E126-P378 HydrophobicContact CB-CG 4.36Å; E126-P378 HydrophobicContact CG-CG 3.7Å; C355-P378 WeakPolarHBondContact CB-O 3.42Å; C355-P378 PolarHBondContact N-O 2.94Å; F376-P378 HydrophobicContact CD1-CG 4.33Å; F376-P378 HydrophobicContact CE1-CG 3.67Å; F376-P378 HydrophobicContact CZ-CB 4.38Å; F376-P378 HydrophobicContact CZ-CG 3.91Å; P378-Y380 HydrophobicContact CB-CE1 4.31Å; P378-Y380 HydrophobicContact CB-CE2 3.95Å; P378-Y380 WeakPolarHBondContact CB-OH 3.02Å | ||
| 379 | V | 97.7 | Very high | 88.1 | Confident | 6 Ų | 6 | 51.8 Ų | 51.8 | 4% | 0.036 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 132 | -179.9 | -170.5 | 0 | 0 | 0 | 0 | 109.5 | T155 Y352 V353 Q354 | T155-V379 WeakPolarHBondContact CG2-O 3.41Å; T155-V379 PolarHBondContact OG1-N 3.26Å; Y352-V379 VanDerWaalsContact C-CG1 3.5Å; V353-V379 VanDerWaalsContact C-CG1 3.5Å; V353-V379 WeakPolarHBondContact O-CA 3.31Å; V353-V379 WeakPolarHBondContact O-CG1 3.3Å; Q354-V379 HydrophobicContact CG-CG2 4.24Å |
| 380 | Y | 97.2 | Very high | 89 | Confident | 5 Ų | 5 | 54.3 Ų | 54.3 | 2% | 0.02 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 152.4 | -179.3 | -54 | -72.4 | 0 | 0 | 0 | 111.6 | S124 L157 L283 P284 Y352 V353 C355 P378 | S124-Y380 PolarHBondContact O-OH 2.71Å; L157-Y380 HydrophobicContact CD2-CD1 3.83Å; L157-Y380 HydrophobicContact CD2-CE1 4.27Å; L283-Y380 VanDerWaalsContact C-CD2 3.46Å; P284-Y380 HydrophobicContact CB-CD1 4.31Å; P284-Y380 HydrophobicContact CB-CE1 3.62Å; P284-Y380 HydrophobicContact CB-CE2 4.37Å; P284-Y380 HydrophobicContact CG-CE1 4.45Å; P284-Y380 HydrophobicContact CG-CE2 4.4Å; Y352-Y380 WeakPolarHBondContact CA-O 3.44Å; V353-Y380 PolarHBondContact N-O 3.23Å; V353-Y380 PolarHBondContact O-N 2.7Å; C355-Y380 HydrophobicContact CB-CD2 4.14Å; C355-Y380 HydrophobicContact CB-CE2 3.69Å; P378-Y380 HydrophobicContact CB-CE1 4.31Å; P378-Y380 HydrophobicContact CB-CE2 3.95Å; P378-Y380 WeakPolarHBondContact CB-OH 3.02Å |
| 381 | P | 95.6 | Very high | 90.1 | Very high | 4 Ų | 4 | 50.1 Ų | 50.1 | 3% | 0.026 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 134.8 | 175 | 27.9 | -32.8 | 0 | 0 | 0 | 110.7 | P324 L325 F350 K351 Y352 | P324-P381 HydrophobicContact CB-CB 4.15Å; P324-P381 HydrophobicContact CB-CG 4.41Å; P324-P381 HydrophobicContact CG-CB 4.23Å; P324-P381 HydrophobicContact CG-CG 4.34Å; P324-P381 WeakPolarHBondContact CG-O 3.41Å; L325-P381 HydrophobicContact CD1-CG 4.06Å; L325-P381 HydrophobicContact CG-CB 4.49Å; L325-P381 HydrophobicContact CG-CG 3.97Å; F350-P381 HydrophobicContact CD2-CB 3.61Å; F350-P381 HydrophobicContact CE2-CB 4.05Å; F350-P381 HydrophobicContact CG-CB 4.16Å; K351-P381 CarbonylContact O-C 3.55Å; K351-P381 WeakPolarHBondContact O-CA 3.41Å; Y352-P381 HydrophobicContact CD1-CB 4.22Å; Y352-P381 HydrophobicContact CE1-CB 4.05Å |
| 382 | V | 96.5 | Very high | 91.5 | Very high | 16 Ų | 16 | 46.6 Ų | 46.6 | 10% | 0.097 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 126.8 | 179.9 | -177.5 | 0 | 0 | 0 | 0 | 108.5 | P207 F350 K351 V353 N384 | P207-V382 HydrophobicContact CB-CB 4.34Å; P207-V382 HydrophobicContact CB-CG1 4.34Å; P207-V382 HydrophobicContact CB-CG2 3.95Å; F350-V382 CarbonylContact C-O 3.6Å; F350-V382 WeakPolarHBondContact CA-O 3.31Å; F350-V382 VanDerWaalsContact CB-O 3.23Å; F350-V382 WeakPolarHBondContact CB-O 3.27Å; K351-V382 PolarHBondContact N-O 2.91Å; K351-V382 PolarHBondContact O-N 2.76Å; V353-V382 HydrophobicContact CB-CG2 3.76Å; V353-V382 HydrophobicContact CG2-CB 3.93Å; V353-V382 HydrophobicContact CG2-CG2 3.69Å; V382-N384 PolarHBondContact O-N 3.2Å |
| 383 | L | 95.1 | Very high | 92.3 | Very high | 11 Ų | 11 | 45.8 Ų | 45.8 | 6% | 0.058 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.4 | 136.4 | 176.2 | -62.8 | 178 | 0 | 0 | 0 | 110.2 | P207 E209 P324 K348 S385 | P207-L383 WeakPolarHBondContact O-CB 3.24Å; P207-L383 WeakPolarHBondContact O-CG 3.49Å; P207-L383 PolarHBondContact O-N 2.76Å; E209-L383 HydrophobicContact CB-CD1 4.44Å; P324-L383 HydrophobicContact CB-CD2 3.94Å; P324-L383 HydrophobicContact CG-CD2 4.12Å; P324-L383 HydrophobicContact CG-CG 4.2Å; K348-L383 HydrophobicContact CB-CD2 3.82Å; K348-L383 HydrophobicContact CD-CD1 4.05Å; K348-L383 HydrophobicContact CD-CD2 4.28Å; L383-S385 PolarHBondContact O-N 3.23Å |
| 384 | N | 90 | Very high | 92.8 | Very high | 63 Ų | 63 | 36.6 Ų | 36.6 | 34% | 0.337 | 22% | 0.216 | S | C | . | . | trans | -68.1 | 133.7 | 167.8 | -68.7 | -33.9 | 0 | 0 | 0 | 108.5 | S349 V382 | S349-N384 WeakPolarHBondContact CB-ND2 3.41Å; S349-N384 WeakPolarHBondContact O-CB 3.45Å; S349-N384 PolarHBondContact O-N 3.15Å; S349-N384 PolarHBondContact O-ND2 3.45Å; S349-N384 PolarHBondContact OG-ND2 3.01Å; V382-N384 PolarHBondContact O-N 3.2Å | ||
| 385 | S | 71.9 | Confident | 93.2 | Very high | 184 Ų | 184 | 38.3 Ų | 38.3 | 100% | 1.287 | 23% | 0.227 | S | C | * | . | trans | -64.4 | 0 | 179.8 | 56.5 | 0 | 0 | 0 | 0 | 112.6 | L383 | L383-S385 PolarHBondContact O-N 3.23Š|
Retrieved 385 of 385 residues in 746.2 ms
(Link to these results)