| 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 | 25.8 | Very low | 64.6 | Low | 234 Ų | 234 | 77.4 Ų | 77.4 | 100% | 1.153 | 46% | 0.458 | S | S | * | . | 0 | 49.1 | 0 | -67.2 | -175.2 | 180 | 0 | 0 | 112 | |||||
| 2 | A | 32.3 | Very low | 66.9 | Low | 103 Ų | 103 | 70.9 Ų | 70.9 | 85% | 0.851 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -3.5 | -169.2 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 3 | C | 31.9 | Very low | 68.9 | Low | 130 Ų | 130 | 65.6 Ų | 65.6 | 88% | 0.878 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111 | 26.6 | -170.9 | -66.4 | 0 | 0 | 0 | 0 | 115.8 | ||
| 4 | T | 47.4 | Very low | 70.7 | Confident | 99 Ų | 99 | 61.6 Ų | 61.6 | 61% | 0.607 | 36% | 0.364 | S | S | * | . | trans | -104.9 | 55.2 | 167.4 | 57.2 | 0 | 0 | 0 | 0 | 110.9 | K810 | T4-K810 VanDerWaalsContact O-CE 3.25Å; T4-K810 WeakPolarHBondContact O-CE 3.36Å; T4-K810 PolarHBondContact O-NZ 3.22Å; T4-K810 PolarHBondContact OG1-NZ 2.97Å | ||
| 5 | G | 64.8 | Low | 72.1 | Confident | 26 Ų | 26 | 57.5 Ų | 57.5 | 27% | 0.268 | 34% | 0.34 | S | S | . | . | trans | -55.8 | 142.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L7 P8 | G5-L7 VanDerWaalsContact C-N 3.35Å; G5-P8 WeakPolarHBondContact O-CD 3.44Å | ||
| 6 | V | 79 | Confident | 73.3 | Confident | 20 Ų | 20 | 54.4 Ų | 54.4 | 12% | 0.121 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -81.2 | -19.7 | 177.4 | 168.8 | 0 | 0 | 0 | 0 | 111.7 | P8 F9 L749 K810 L811 | V6-P8 VanDerWaalsContact C-CD 3.48Å; V6-F9 WeakPolarHBondContact O-CB 3.21Å; V6-F9 PolarHBondContact O-N 2.92Å; V6-L749 HydrophobicContact CG1-CD2 3.38Å; V6-K810 HydrophobicContact CB-CD 4.45Å; V6-K810 HydrophobicContact CB-CG 4.15Å; V6-K810 HydrophobicContact CG2-CB 3.94Å; V6-K810 HydrophobicContact CG2-CD 3.44Å; V6-K810 VanDerWaalsContact CG2-CD 3.44Å; V6-K810 HydrophobicContact CG2-CG 3.56Å; V6-L811 HydrophobicContact CG1-CD2 3.91Å; V6-L811 HydrophobicContact CG1-CG 4.02Å |
| 7 | L | 84 | Confident | 74 | Confident | 13 Ų | 13 | 57.7 Ų | 57.7 | 7% | 0.068 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -52.6 | -42.4 | -177.4 | -64 | 178.8 | 0 | 0 | 0 | 115 | G5 F9 V10 A28 M32 E814 | G5-L7 VanDerWaalsContact C-N 3.35Å; L7-F9 PolarHBondContact O-N 3.02Å; L7-F9 VanDerWaalsContact O-N 3.14Å; L7-V10 WeakPolarHBondContact O-CB 3.28Å; L7-V10 PolarHBondContact O-N 3.41Å; L7-V10 VanDerWaalsContact O-N 3.12Å; L7-A28 HydrophobicContact CD1-CB 4Å; L7-M32 HydrophobicContact CB-CG 4.01Å; L7-M32 HydrophobicContact CD2-CG 4.31Å; L7-E814 HydrophobicContact CD2-CB 4.05Å; L7-E814 HydrophobicContact CD2-CG 4.38Å; L7-E814 HydrophobicContact CG-CB 4.41Å; L7-E814 HydrophobicContact CG-CG 4.28Å |
| 8 | P | 84.3 | Confident | 74.8 | Confident | 59 Ų | 59 | 55.1 Ų | 55.1 | 38% | 0.383 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -62.5 | -22 | 178.2 | -23.9 | 35.6 | 0 | 0 | 0 | 114.2 | G5 V6 G34 | G5-P8 WeakPolarHBondContact O-CD 3.44Å; V6-P8 VanDerWaalsContact C-CD 3.48Å; P8-G34 PolarHBondContact O-N 3.17Å |
| 9 | F | 82.5 | Confident | 75.3 | Confident | 128 Ų | 128 | 56.2 Ų | 56.2 | 56% | 0.561 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -87.9 | -6.3 | -179.6 | -60.3 | -81.4 | 0 | 0 | 0 | 113.5 | V6 L7 L749 | V6-F9 WeakPolarHBondContact O-CB 3.21Å; V6-F9 PolarHBondContact O-N 2.92Å; L7-F9 PolarHBondContact O-N 3.02Å; L7-F9 VanDerWaalsContact O-N 3.14Å; F9-L749 PolarHBondContact O-N 3.41Å |
| 10 | V | 88.6 | Confident | 75.9 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 123.2 | 179.6 | -176.9 | 0 | 0 | 0 | 0 | 109.9 | L7 M32 G34 L35 L749 L811 | L7-V10 WeakPolarHBondContact O-CB 3.28Å; L7-V10 PolarHBondContact O-N 3.41Å; L7-V10 VanDerWaalsContact O-N 3.12Å; V10-M32 HydrophobicContact CB-CE 3.41Å; V10-M32 VanDerWaalsContact CB-CE 3.41Å; V10-M32 HydrophobicContact CG1-CE 3.31Å; V10-M32 HydrophobicContact CG2-CE 3.93Å; V10-G34 CarbonylContact O-C 3.58Å; V10-L35 HydrophobicContact CG1-CD1 4.09Å; V10-L35 WeakPolarHBondContact O-CA 3.44Å; V10-L35 PolarHBondContact O-N 3.12Å; V10-L749 CarbonylContact C-O 3.56Å; V10-L749 VanDerWaalsContact CA-O 3.31Å; V10-L749 WeakPolarHBondContact CA-O 3.43Å; V10-L749 HydrophobicContact CG2-CD2 4.13Å; V10-L811 HydrophobicContact CG2-CD2 3.79Å |
| 11 | R | 90.5 | Very high | 76.2 | Confident | 39 Ų | 39 | 52.6 Ų | 52.6 | 15% | 0.147 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | -12.7 | 178.4 | -62.2 | -59.4 | -169.1 | 167.1 | -4.2 | 113.1 | G34 R36 W37 Y748 L749 E750 | R11-G34 WeakPolarHBondContact CD-O 3.5Å; R11-G34 PolarHBondContact NH1-O 2.86Å; R11-R36 WeakPolarHBondContact O-CA 3.5Å; R11-R36 WeakPolarHBondContact O-CB 3.39Å; R11-R36 PolarHBondContact O-N 2.75Å; R11-W37 PolarHBondContact O-N 3.14Å; R11-W37 VanDerWaalsContact O-N 3.08Å; R11-Y748 HydrophobicContact CG-CD1 4.16Å; R11-Y748 HydrophobicContact CG-CD2 4.23Å; R11-Y748 HydrophobicContact CG-CG 3.65Å; R11-L749 PolarHBondContact N-O 3.26Å; R11-E750 HydrophobicContact CB-CG 4.24Å |
| 12 | G | 91.8 | Very high | 78.6 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 132.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | W37 E750 L751 | G12-W37 WeakPolarHBondContact CA-O 3.44Å; G12-E750 CarbonylContact O-C 3.36Å; G12-E750 WeakPolarHBondContact O-CA 3.4Å; G12-L751 PolarHBondContact O-N 2.98Å |
| 13 | I | 93.3 | Very high | 80.7 | Confident | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 138.8 | 177.7 | -163.2 | 156.6 | 0 | 0 | 0 | 112.9 | F15 M32 L35 W37 L38 K39 L751 L815 | I13-F15 HydrophobicContact CD1-CD1 4.35Å; I13-F15 HydrophobicContact CD1-CE1 3.45Å; I13-F15 VanDerWaalsContact CD1-CE1 3.45Å; I13-F15 HydrophobicContact CD1-CE2 4.01Å; I13-F15 HydrophobicContact CD1-CZ 3.24Å; I13-F15 HydrophobicContact CG1-CD1 4.21Å; I13-F15 HydrophobicContact CG1-CE1 3.77Å; I13-F15 HydrophobicContact CG1-CE2 4.22Å; I13-F15 HydrophobicContact CG1-CZ 3.79Å; I13-F15 HydrophobicContact CG2-CD2 4.18Å; I13-F15 HydrophobicContact CG2-CE2 3.85Å; I13-F15 HydrophobicContact CG2-CZ 4.22Å; I13-M32 HydrophobicContact CB-CE 4.3Å; I13-M32 HydrophobicContact CD1-CE 3.91Å; I13-M32 HydrophobicContact CG2-CE 4.16Å; I13-L35 HydrophobicContact CB-CD1 4.32Å; I13-L35 HydrophobicContact CG2-CD1 3.86Å; I13-L35 HydrophobicContact CG2-CD2 4.16Å; I13-W37 PolarHBondContact N-O 2.82Å; I13-W37 VanDerWaalsContact N-O 3.14Å; I13-W37 VanDerWaalsContact O-CZ3 3.28Å; I13-W37 WeakPolarHBondContact O-CZ3 3.48Å; I13-L38 HydrophobicContact CG2-CD1 3.42Å; I13-L38 VanDerWaalsContact CG2-CD1 3.42Å; I13-K39 PolarHBondContact O-N 2.8Å; I13-K39 VanDerWaalsContact O-N 3.08Å; I13-L751 HydrophobicContact CB-CB 4.48Å; I13-L751 HydrophobicContact CD1-CB 4.45Å; I13-L751 HydrophobicContact CD1-CD1 3.84Å; I13-L751 HydrophobicContact CG1-CB 4.02Å; I13-L751 HydrophobicContact CG1-CD1 4.32Å; I13-L815 HydrophobicContact CD1-CD2 4.21Å |
| 14 | D | 93.6 | Very high | 83.1 | Confident | 10 Ų | 10 | 48.1 Ų | 48.1 | 5% | 0.053 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 89.7 | 179.7 | -167.2 | -13.8 | 0 | 0 | 0 | 112.8 | S16 W37 K39 Y740 L751 Q753 | D14-S16 PolarHBondContact O-N 2.95Å; D14-S16 WeakPolarHBondContact OD1-CB 3.49Å; D14-S16 PolarHBondContact OD1-N 3.21Å; D14-S16 PolarHBondContact OD1-OG 3.03Å; D14-W37 HydrophobicContact CB-CH2 4.29Å; D14-W37 HydrophobicContact CB-CZ3 4.05Å; D14-K39 HydrophobicContact CB-CB 4.22Å; D14-K39 HydrophobicContact CB-CD 4.11Å; D14-K39 VanDerWaalsContact CG-CD 3.5Å; D14-K39 VanDerWaalsContact OD1-CB 3.27Å; D14-K39 WeakPolarHBondContact OD1-CB 3.43Å; D14-K39 WeakPolarHBondContact OD2-CD 3.49Å; D14-K39 IonicContact OD2-NZ 3.74Å; D14-Y740 WeakPolarHBondContact O-CE1 3.39Å; D14-L751 PolarHBondContact N-O 2.77Å; D14-L751 VanDerWaalsContact N-O 3.13Å; D14-Q753 HydrophobicContact CB-CB 3.84Å; D14-Q753 WeakPolarHBondContact OD2-CB 3.42Å |
| 15 | F | 92.5 | Very high | 85 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | -84.3 | 14.9 | 175.4 | -68.2 | -44.7 | 0 | 0 | 0 | 114.5 | I13 R17 N18 F20 V29 L38 K39 L40 T43 L815 M818 | I13-F15 HydrophobicContact CD1-CD1 4.35Å; I13-F15 HydrophobicContact CD1-CE1 3.45Å; I13-F15 VanDerWaalsContact CD1-CE1 3.45Å; I13-F15 HydrophobicContact CD1-CE2 4.01Å; I13-F15 HydrophobicContact CD1-CZ 3.24Å; I13-F15 HydrophobicContact CG1-CD1 4.21Å; I13-F15 HydrophobicContact CG1-CE1 3.77Å; I13-F15 HydrophobicContact CG1-CE2 4.22Å; I13-F15 HydrophobicContact CG1-CZ 3.79Å; I13-F15 HydrophobicContact CG2-CD2 4.18Å; I13-F15 HydrophobicContact CG2-CE2 3.85Å; I13-F15 HydrophobicContact CG2-CZ 4.22Å; F15-R17 PolarHBondContact O-N 3.3Å; F15-N18 WeakPolarHBondContact O-CB 3.29Å; F15-N18 PolarHBondContact O-N 3.2Å; F15-N18 PolarHBondContact O-ND2 3.1Å; F15-F20 HydrophobicContact CB-CE2 3.71Å; F15-F20 HydrophobicContact CB-CZ 3.86Å; F15-F20 HydrophobicContact CD2-CZ 4.36Å; F15-F20 HydrophobicContact CG-CE2 4.3Å; F15-F20 HydrophobicContact CG-CZ 4.07Å; F15-V29 HydrophobicContact CE2-CG2 3.67Å; F15-V29 HydrophobicContact CZ-CG2 4.24Å; F15-L38 HydrophobicContact CD2-CD1 3.97Å; F15-L38 HydrophobicContact CE2-CD1 4.43Å; F15-K39 CarbonylContact C-O 3.14Å; F15-K39 WeakPolarHBondContact CA-O 3.15Å; F15-K39 PolarHBondContact N-O 3.02Å; F15-L40 HydrophobicContact CB-CD2 3.9Å; F15-L40 HydrophobicContact CD2-CD2 4.23Å; F15-T43 WeakPolarHBondContact O-CG2 3.43Å; F15-L815 HydrophobicContact CE1-CD2 4.18Å; F15-M818 HydrophobicContact CD1-CE 4.4Å; F15-M818 HydrophobicContact CE1-CE 3.19Å; F15-M818 HydrophobicContact CE2-CE 4.43Å; F15-M818 HydrophobicContact CZ-CE 3.2Å; F15-M818 HydrophobicContact CZ-SD 4.28Å | ||
| 16 | S | 89.8 | Confident | 86 | Confident | 8 Ų | 8 | 43.3 Ų | 43.3 | 6% | 0.056 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | 138.6 | 179.4 | -57 | 0 | 0 | 0 | 0 | 111.7 | D14 N18 K39 N41 Q753 | D14-S16 PolarHBondContact O-N 2.95Å; D14-S16 WeakPolarHBondContact OD1-CB 3.49Å; D14-S16 PolarHBondContact OD1-N 3.21Å; D14-S16 PolarHBondContact OD1-OG 3.03Å; S16-N18 VanDerWaalsContact C-N 3.35Å; S16-K39 PolarHBondContact N-O 2.9Å; S16-N41 CarbonylContact C-O 3.49Å; S16-N41 WeakPolarHBondContact CA-O 3.47Å; S16-N41 WeakPolarHBondContact CB-O 3.49Å; S16-N41 WeakPolarHBondContact OG-CB 3.48Å; S16-N41 PolarHBondContact OG-N 3.2Å; S16-N41 PolarHBondContact OG-ND2 3.45Å; S16-Q753 PolarHBondContact O-NE2 3.01Å |
| 17 | R | 86.7 | Confident | 86.4 | Confident | 110 Ų | 110 | 49.7 Ų | 49.7 | 42% | 0.415 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.4 | 14.3 | -178.9 | -46.3 | 171.8 | 177.1 | 172.1 | 1.8 | 116.1 | F15 N41 H42 R738 | F15-R17 PolarHBondContact O-N 3.3Å; R17-N41 PolarHBondContact N-O 2.92Å; R17-H42 WeakPolarHBondContact CA-O 3.44Å; R17-H42 HydrophobicContact CG-CB 4.38Å; R17-R738 PolarHBondContact O-NE 2.76Å; R17-R738 PolarHBondContact O-NH2 3.45Å |
| 18 | N | 87.3 | Confident | 86.5 | Confident | 10 Ų | 10 | 50.3 Ų | 50.3 | 5% | 0.053 | 25% | 0.251 | C | S | . | . | trans | -78.9 | 143.1 | 160.6 | -75.8 | -72.1 | 0 | 0 | 0 | 110 | F15 S16 F20 T43 R738 | F15-N18 WeakPolarHBondContact O-CB 3.29Å; F15-N18 PolarHBondContact O-N 3.2Å; F15-N18 PolarHBondContact O-ND2 3.1Å; S16-N18 VanDerWaalsContact C-N 3.35Å; N18-F20 HydrophobicContact CB-CD1 4.14Å; N18-F20 HydrophobicContact CB-CD2 4.22Å; N18-F20 HydrophobicContact CB-CE1 3.59Å; N18-F20 HydrophobicContact CB-CE2 3.68Å; N18-F20 HydrophobicContact CB-CG 4.43Å; N18-F20 HydrophobicContact CB-CZ 3.33Å; N18-F20 PolarHBondContact O-N 3.21Å; N18-T43 WeakPolarHBondContact O-CA 3.26Å; N18-T43 VanDerWaalsContact O-CB 3.3Å; N18-T43 WeakPolarHBondContact O-CB 3.3Å; N18-T43 WeakPolarHBondContact O-CG2 3.41Å; N18-R738 PolarHBondContact OD1-NH1 3.2Å; N18-R738 PolarHBondContact OD1-NH2 3.2Å | ||
| 19 | D | 84.8 | Confident | 86.7 | Confident | 76 Ų | 76 | 47.5 Ų | 47.5 | 41% | 0.406 | 23% | 0.233 | S | C | . | . | trans | -86.2 | 107 | 173.4 | -160.1 | -11.3 | 0 | 0 | 0 | 108.1 | S21 N44 | D19-S21 WeakPolarHBondContact OD1-CB 3.35Å; D19-S21 PolarHBondContact OD1-N 3.21Å; D19-S21 PolarHBondContact OD1-OG 2.8Å; D19-N44 PolarHBondContact OD1-ND2 3.5Å; D19-N44 PolarHBondContact OD2-ND2 2.76Å | ||
| 20 | F | 87.2 | Confident | 86.9 | Confident | 5 Ų | 5 | 41.7 Ų | 41.7 | 2% | 0.022 | 21% | 0.209 | C | C | . | . | trans | -109.8 | 27.6 | 177.3 | -60.3 | -45.5 | 0 | 0 | 0 | 111.4 | F15 N18 F25 P26 L40 T43 L45 L819 | F15-F20 HydrophobicContact CB-CE2 3.71Å; F15-F20 HydrophobicContact CB-CZ 3.86Å; F15-F20 HydrophobicContact CD2-CZ 4.36Å; F15-F20 HydrophobicContact CG-CE2 4.3Å; F15-F20 HydrophobicContact CG-CZ 4.07Å; N18-F20 HydrophobicContact CB-CD1 4.14Å; N18-F20 HydrophobicContact CB-CD2 4.22Å; N18-F20 HydrophobicContact CB-CE1 3.59Å; N18-F20 HydrophobicContact CB-CE2 3.68Å; N18-F20 HydrophobicContact CB-CG 4.43Å; N18-F20 HydrophobicContact CB-CZ 3.33Å; N18-F20 PolarHBondContact O-N 3.21Å; F20-F25 HydrophobicContact CB-CD2 4.41Å; F20-F25 HydrophobicContact CD1-CD2 4.28Å; F20-F25 AromaticContact CD2-CD2 3.71Å; F20-F25 HydrophobicContact CD2-CD2 3.71Å; F20-F25 HydrophobicContact CD2-CE2 4.13Å; F20-F25 HydrophobicContact CE1-CD2 4.45Å; F20-F25 AromaticContact CE2-CD2 3.91Å; F20-F25 HydrophobicContact CE2-CD2 3.91Å; F20-F25 AromaticContact CE2-CE2 3.95Å; F20-F25 HydrophobicContact CE2-CE2 3.95Å; F20-F25 AromaticContact CG-CD2 3.92Å; F20-F25 HydrophobicContact CG-CD2 3.92Å; F20-F25 HydrophobicContact CZ-CD2 4.27Å; F20-F25 HydrophobicContact CZ-CE2 4.39Å; F20-P26 HydrophobicContact CE1-CG 4.42Å; F20-L40 HydrophobicContact CD2-CD2 4.27Å; F20-L40 HydrophobicContact CE2-CD2 3.83Å; F20-T43 HydrophobicContact CD2-CG2 3.81Å; F20-T43 HydrophobicContact CE2-CG2 3.99Å; F20-T43 PolarHBondContact N-O 2.86Å; F20-L45 HydrophobicContact CB-CD2 3.84Å; F20-L45 HydrophobicContact CB-CG 4.48Å; F20-L819 HydrophobicContact CE1-CD2 3.9Å; F20-L819 HydrophobicContact CZ-CD2 4.27Å | ||
| 21 | S | 81.5 | Confident | 86.8 | Confident | 33 Ų | 33 | 46.4 Ų | 46.4 | 23% | 0.231 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -60.6 | 159.5 | 170.6 | 48.2 | 0 | 0 | 0 | 0 | 111.2 | D19 N23 L24 | D19-S21 WeakPolarHBondContact OD1-CB 3.35Å; D19-S21 PolarHBondContact OD1-N 3.21Å; D19-S21 PolarHBondContact OD1-OG 2.8Å; S21-N23 VanDerWaalsContact C-N 3.29Å; S21-N23 PolarHBondContact O-N 3.18Å; S21-L24 WeakPolarHBondContact O-CB 3.35Å; S21-L24 WeakPolarHBondContact O-CD1 3.27Å; S21-L24 VanDerWaalsContact O-CG 3.26Å; S21-L24 WeakPolarHBondContact O-CG 3.48Å; S21-L24 PolarHBondContact O-N 3.23Å; S21-L24 VanDerWaalsContact O-N 3.13Å |
| 22 | E | 77.5 | Confident | 86.7 | Confident | 171 Ų | 171 | 44.6 Ų | 44.6 | 80% | 0.799 | 23% | 0.227 | S | C | * | . | G | 310 helix | trans | 58.3 | 31 | 173.3 | -56.5 | -177.4 | -178.4 | 0 | 0 | 115.4 | L24 | E22-L24 VanDerWaalsContact C-N 3.32Å; E22-L24 PolarHBondContact O-N 3.42Å |
| 23 | N | 75.1 | Confident | 86.4 | Confident | 110 Ų | 110 | 47.1 Ų | 47.1 | 59% | 0.588 | 25% | 0.248 | S | C | * | . | G | 310 helix | trans | 64.4 | 24.5 | -176.5 | -50.3 | -62.5 | 0 | 0 | 0 | 115.1 | S21 F25 K47 | S21-N23 VanDerWaalsContact C-N 3.29Å; S21-N23 PolarHBondContact O-N 3.18Å; N23-F25 PolarHBondContact O-N 3.18Å; N23-K47 WeakPolarHBondContact OD1-CE 3.48Å; N23-K47 PolarHBondContact OD1-NZ 2.82Å; N23-K47 VanDerWaalsContact OD1-NZ 3.09Å |
| 24 | L | 82.6 | Confident | 86.2 | Confident | 92 Ų | 92 | 47.2 Ų | 47.2 | 48% | 0.482 | 25% | 0.25 | S | C | . | . | trans | -71 | 19.2 | 172.7 | -65.5 | 169.6 | 0 | 0 | 0 | 113.8 | S21 E22 | S21-L24 WeakPolarHBondContact O-CB 3.35Å; S21-L24 WeakPolarHBondContact O-CD1 3.27Å; S21-L24 VanDerWaalsContact O-CG 3.26Å; S21-L24 WeakPolarHBondContact O-CG 3.48Å; S21-L24 PolarHBondContact O-N 3.23Å; S21-L24 VanDerWaalsContact O-N 3.13Å; E22-L24 VanDerWaalsContact C-N 3.32Å; E22-L24 PolarHBondContact O-N 3.42Å | ||
| 25 | F | 87.1 | Confident | 86.2 | Confident | 12 Ų | 12 | 46.8 Ų | 46.8 | 5% | 0.053 | 25% | 0.247 | C | C | . | . | trans | -77.6 | 125.8 | 179.1 | -170.1 | -102.4 | 0 | 0 | 0 | 110.2 | F20 N23 E27 V29 L40 P49 Q51 | F20-F25 HydrophobicContact CB-CD2 4.41Å; F20-F25 HydrophobicContact CD1-CD2 4.28Å; F20-F25 AromaticContact CD2-CD2 3.71Å; F20-F25 HydrophobicContact CD2-CD2 3.71Å; F20-F25 HydrophobicContact CD2-CE2 4.13Å; F20-F25 HydrophobicContact CE1-CD2 4.45Å; F20-F25 AromaticContact CE2-CD2 3.91Å; F20-F25 HydrophobicContact CE2-CD2 3.91Å; F20-F25 AromaticContact CE2-CE2 3.95Å; F20-F25 HydrophobicContact CE2-CE2 3.95Å; F20-F25 AromaticContact CG-CD2 3.92Å; F20-F25 HydrophobicContact CG-CD2 3.92Å; F20-F25 HydrophobicContact CZ-CD2 4.27Å; F20-F25 HydrophobicContact CZ-CE2 4.39Å; N23-F25 PolarHBondContact O-N 3.18Å; F25-E27 PolarHBondContact O-N 3Å; F25-V29 HydrophobicContact CE1-CB 3.85Å; F25-V29 HydrophobicContact CE1-CG1 3.98Å; F25-V29 HydrophobicContact CE1-CG2 4.11Å; F25-V29 HydrophobicContact CZ-CB 4.07Å; F25-V29 HydrophobicContact CZ-CG1 3.87Å; F25-V29 HydrophobicContact CZ-CG2 4Å; F25-L40 HydrophobicContact CE2-CD1 4.24Å; F25-L40 HydrophobicContact CE2-CD2 3.69Å; F25-L40 HydrophobicContact CZ-CD2 4.41Å; F25-P49 HydrophobicContact CB-CB 4.26Å; F25-P49 HydrophobicContact CB-CG 4.31Å; F25-P49 HydrophobicContact CD1-CB 3.54Å; F25-P49 HydrophobicContact CD1-CG 3.98Å; F25-P49 HydrophobicContact CD2-CG 4.09Å; F25-P49 HydrophobicContact CE1-CB 3.97Å; F25-P49 HydrophobicContact CE1-CG 4.32Å; F25-P49 HydrophobicContact CE2-CG 4.44Å; F25-P49 HydrophobicContact CG-CB 3.85Å; F25-P49 HydrophobicContact CG-CG 3.84Å; F25-Q51 HydrophobicContact CD1-CB 4.22Å; F25-Q51 HydrophobicContact CD1-CG 4.36Å; F25-Q51 HydrophobicContact CE1-CB 4.04Å | ||
| 26 | P | 86.9 | Confident | 86.2 | Confident | 11 Ų | 11 | 51.2 Ų | 51.2 | 7% | 0.071 | 26% | 0.264 | C | S | . | . | trans | -63.4 | 127.2 | -171.9 | 9.8 | -18.2 | 0 | 0 | 0 | 113.9 | F20 A28 V29 M818 L819 | F20-P26 HydrophobicContact CE1-CG 4.42Å; P26-A28 PolarHBondContact O-N 2.84Å; P26-V29 HydrophobicContact CB-CG2 4.08Å; P26-V29 HydrophobicContact CG-CG2 3.71Å; P26-V29 WeakPolarHBondContact O-CB 3.31Å; P26-V29 WeakPolarHBondContact O-CG2 3.17Å; P26-V29 PolarHBondContact O-N 3.43Å; P26-M818 HydrophobicContact CB-CB 4.27Å; P26-M818 HydrophobicContact CB-CG 4.48Å; P26-M818 WeakPolarHBondContact CB-O 3.34Å; P26-L819 HydrophobicContact CG-CD2 4.15Å | ||
| 27 | E | 86.4 | Confident | 86.4 | Confident | 155 Ų | 155 | 52.4 Ų | 52.4 | 72% | 0.724 | 27% | 0.267 | S | S | * | . | G | 310 helix | trans | -60.6 | -34.9 | 176.2 | -67.7 | -168.6 | 163.3 | 0 | 0 | 112.7 | F25 V29 G30 | F25-E27 PolarHBondContact O-N 3Å; E27-V29 PolarHBondContact O-N 3.4Å; E27-G30 PolarHBondContact O-N 3.08Å |
| 28 | A | 87.2 | Confident | 86.8 | Confident | 26 Ų | 26 | 47.2 Ų | 47.2 | 22% | 0.215 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -58.8 | -19.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | L7 P26 G30 D31 M818 | L7-A28 HydrophobicContact CD1-CB 4Å; P26-A28 PolarHBondContact O-N 2.84Å; A28-G30 PolarHBondContact O-N 2.88Å; A28-D31 WeakPolarHBondContact O-CB 3.49Å; A28-D31 PolarHBondContact O-N 2.88Å; A28-D31 VanDerWaalsContact O-N 3.1Å; A28-M818 HydrophobicContact CB-CB 4.11Å |
| 29 | V | 88.1 | Confident | 87.1 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -63.6 | -31.6 | 173 | 179.5 | 0 | 0 | 0 | 0 | 110.9 | F15 F25 P26 E27 D31 M32 L55 | F15-V29 HydrophobicContact CE2-CG2 3.67Å; F15-V29 HydrophobicContact CZ-CG2 4.24Å; F25-V29 HydrophobicContact CE1-CB 3.85Å; F25-V29 HydrophobicContact CE1-CG1 3.98Å; F25-V29 HydrophobicContact CE1-CG2 4.11Å; F25-V29 HydrophobicContact CZ-CB 4.07Å; F25-V29 HydrophobicContact CZ-CG1 3.87Å; F25-V29 HydrophobicContact CZ-CG2 4Å; P26-V29 HydrophobicContact CB-CG2 4.08Å; P26-V29 HydrophobicContact CG-CG2 3.71Å; P26-V29 WeakPolarHBondContact O-CB 3.31Å; P26-V29 WeakPolarHBondContact O-CG2 3.17Å; P26-V29 PolarHBondContact O-N 3.43Å; E27-V29 PolarHBondContact O-N 3.4Å; V29-D31 PolarHBondContact O-N 3.22Å; V29-M32 HydrophobicContact CB-SD 4.4Å; V29-M32 HydrophobicContact CG1-SD 4.14Å; V29-M32 HydrophobicContact CG2-SD 4.4Å; V29-M32 VanDerWaalsContact O-CB 3.3Å; V29-M32 WeakPolarHBondContact O-CB 3.05Å; V29-M32 WeakPolarHBondContact O-CG 3.47Å; V29-M32 PolarHBondContact O-N 2.8Å; V29-L55 HydrophobicContact CG1-CD1 4.44Å; V29-L55 WeakPolarHBondContact O-CD2 3.28Å |
| 30 | G | 85.7 | Confident | 87.6 | Confident | 6 Ų | 6 | 45.7 Ų | 45.7 | 6% | 0.062 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -61.3 | -23.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | E27 A28 M32 | E27-G30 PolarHBondContact O-N 3.08Å; A28-G30 PolarHBondContact O-N 2.88Å; G30-M32 VanDerWaalsContact C-N 3.31Å |
| 31 | D | 86.6 | Confident | 87.8 | Confident | 99 Ų | 99 | 46.4 Ų | 46.4 | 53% | 0.529 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -84.4 | -6.4 | 178.5 | -58.2 | -33.2 | 0 | 0 | 0 | 112.6 | A28 V29 A33 | A28-D31 WeakPolarHBondContact O-CB 3.49Å; A28-D31 PolarHBondContact O-N 2.88Å; A28-D31 VanDerWaalsContact O-N 3.1Å; V29-D31 PolarHBondContact O-N 3.22Å; D31-A33 PolarHBondContact O-N 3.05Å |
| 32 | M | 90.2 | Very high | 88.2 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | trans | -79.5 | 54.8 | 176.2 | -55.5 | 177.2 | 79.8 | 0 | 0 | 111.2 | L7 V10 I13 V29 G30 G34 L35 L55 | L7-M32 HydrophobicContact CB-CG 4.01Å; L7-M32 HydrophobicContact CD2-CG 4.31Å; V10-M32 HydrophobicContact CB-CE 3.41Å; V10-M32 VanDerWaalsContact CB-CE 3.41Å; V10-M32 HydrophobicContact CG1-CE 3.31Å; V10-M32 HydrophobicContact CG2-CE 3.93Å; I13-M32 HydrophobicContact CB-CE 4.3Å; I13-M32 HydrophobicContact CD1-CE 3.91Å; I13-M32 HydrophobicContact CG2-CE 4.16Å; V29-M32 HydrophobicContact CB-SD 4.4Å; V29-M32 HydrophobicContact CG1-SD 4.14Å; V29-M32 HydrophobicContact CG2-SD 4.4Å; V29-M32 VanDerWaalsContact O-CB 3.3Å; V29-M32 WeakPolarHBondContact O-CB 3.05Å; V29-M32 WeakPolarHBondContact O-CG 3.47Å; V29-M32 PolarHBondContact O-N 2.8Å; G30-M32 VanDerWaalsContact C-N 3.31Å; M32-G34 PolarHBondContact O-N 3.2Å; M32-L35 HydrophobicContact CB-CB 4.28Å; M32-L35 HydrophobicContact CE-CD1 3.91Å; M32-L35 VanDerWaalsContact O-CB 3.28Å; M32-L35 WeakPolarHBondContact O-CB 3.41Å; M32-L35 PolarHBondContact O-N 3.12Å; M32-L55 HydrophobicContact CB-CD2 4.36Å; M32-L55 WeakPolarHBondContact O-CD2 3.36Å | ||
| 33 | A | 85.4 | Confident | 88.8 | Confident | 52 Ų | 52 | 41.2 Ų | 41.2 | 43% | 0.43 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -22.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | D31 N57 | D31-A33 PolarHBondContact O-N 3.05Å; A33-N57 PolarHBondContact O-ND2 3.46Å |
| 34 | G | 87.8 | Confident | 89.5 | Confident | 5 Ų | 5 | 40 Ų | 40 | 5% | 0.052 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -14.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | P8 V10 R11 M32 R36 | P8-G34 PolarHBondContact O-N 3.17Å; V10-G34 CarbonylContact O-C 3.58Å; R11-G34 WeakPolarHBondContact CD-O 3.5Å; R11-G34 PolarHBondContact NH1-O 2.86Å; M32-G34 PolarHBondContact O-N 3.2Å; G34-R36 PolarHBondContact O-N 3.07Å |
| 35 | L | 93.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | trans | -59.8 | 124.8 | -165.5 | -158.6 | 74.7 | 0 | 0 | 0 | 112.8 | V10 I13 M32 L38 L55 N57 L58 | V10-L35 HydrophobicContact CG1-CD1 4.09Å; V10-L35 WeakPolarHBondContact O-CA 3.44Å; V10-L35 PolarHBondContact O-N 3.12Å; I13-L35 HydrophobicContact CB-CD1 4.32Å; I13-L35 HydrophobicContact CG2-CD1 3.86Å; I13-L35 HydrophobicContact CG2-CD2 4.16Å; M32-L35 HydrophobicContact CB-CB 4.28Å; M32-L35 HydrophobicContact CE-CD1 3.91Å; M32-L35 VanDerWaalsContact O-CB 3.28Å; M32-L35 WeakPolarHBondContact O-CB 3.41Å; M32-L35 PolarHBondContact O-N 3.12Å; L35-L38 HydrophobicContact CD2-CB 3.82Å; L35-L38 HydrophobicContact CD2-CD1 4.13Å; L35-L38 HydrophobicContact CD2-CD2 4.24Å; L35-L38 HydrophobicContact CD2-CG 4.27Å; L35-L55 HydrophobicContact CB-CD2 4.2Å; L35-L55 HydrophobicContact CD2-CD1 3.85Å; L35-L55 HydrophobicContact CD2-CD2 4.48Å; L35-N57 CarbonylContact O-C 3.57Å; L35-L58 HydrophobicContact CD2-CD1 4.14Å; L35-L58 HydrophobicContact CG-CD1 4.28Å; L35-L58 VanDerWaalsContact O-CA 3.3Å; L35-L58 WeakPolarHBondContact O-CA 3.39Å; L35-L58 PolarHBondContact O-N 2.89Å | ||
| 36 | R | 93.1 | Very high | 89.9 | Confident | 93 Ų | 93 | 39.3 Ų | 39.3 | 35% | 0.351 | 20% | 0.204 | S | C | . | . | trans | -104.8 | -31.5 | 177.2 | -67.9 | -175.5 | 178.6 | -170.6 | -1.2 | 113.1 | R11 G34 N57 E59 H60 | R11-R36 WeakPolarHBondContact O-CA 3.5Å; R11-R36 WeakPolarHBondContact O-CB 3.39Å; R11-R36 PolarHBondContact O-N 2.75Å; G34-R36 PolarHBondContact O-N 3.07Å; R36-N57 WeakPolarHBondContact CA-O 3.5Å; R36-E59 WeakPolarHBondContact CD-OE1 3.03Å; R36-E59 IonicContact NE-OE1 3.39Å; R36-E59 CarbonylContact O-C 3.07Å; R36-E59 WeakPolarHBondContact O-CA 3.12Å; R36-E59 WeakPolarHBondContact O-CB 3.46Å; R36-E59 PolarHBondContact O-N 2.98Å; R36-H60 PolarHBondContact O-N 2.96Å | ||
| 37 | W | 94.5 | Very high | 90 | Very high | 34 Ų | 34 | 43.2 Ų | 43.2 | 13% | 0.129 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 139.6 | 174.9 | 67.3 | -98.8 | 0 | 0 | 0 | 112.5 | R11 G12 I13 D14 K39 H60 E750 P752 | R11-W37 PolarHBondContact O-N 3.14Å; R11-W37 VanDerWaalsContact O-N 3.08Å; G12-W37 WeakPolarHBondContact CA-O 3.44Å; I13-W37 PolarHBondContact N-O 2.82Å; I13-W37 VanDerWaalsContact N-O 3.14Å; I13-W37 VanDerWaalsContact O-CZ3 3.28Å; I13-W37 WeakPolarHBondContact O-CZ3 3.48Å; D14-W37 HydrophobicContact CB-CH2 4.29Å; D14-W37 HydrophobicContact CB-CZ3 4.05Å; W37-K39 HydrophobicContact CE3-CD 4.31Å; W37-K39 HydrophobicContact CE3-CG 4.21Å; W37-K39 HydrophobicContact CZ3-CD 3.92Å; W37-K39 HydrophobicContact CZ3-CG 4.16Å; W37-H60 CarbonylContact C-O 3.39Å; W37-H60 VanDerWaalsContact CA-O 3.27Å; W37-H60 WeakPolarHBondContact CA-O 3.34Å; W37-H60 HydrophobicContact CB-CB 3.78Å; W37-E750 HydrophobicContact CZ2-CB 4.35Å; W37-E750 PolarHBondContact NE1-OE2 2.83Å; W37-P752 HydrophobicContact CH2-CB 4.05Å; W37-P752 HydrophobicContact CZ2-CB 4.25Å |
| 38 | L | 95 | Very high | 90.1 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 127.9 | -177.9 | 179.2 | 59.9 | 0 | 0 | 0 | 110.7 | I13 F15 L35 L40 L52 L55 L58 H60 L61 Y62 | I13-L38 HydrophobicContact CG2-CD1 3.42Å; I13-L38 VanDerWaalsContact CG2-CD1 3.42Å; F15-L38 HydrophobicContact CD2-CD1 3.97Å; F15-L38 HydrophobicContact CE2-CD1 4.43Å; L35-L38 HydrophobicContact CD2-CB 3.82Å; L35-L38 HydrophobicContact CD2-CD1 4.13Å; L35-L38 HydrophobicContact CD2-CD2 4.24Å; L35-L38 HydrophobicContact CD2-CG 4.27Å; L38-L40 HydrophobicContact CD1-CD2 4.21Å; L38-L40 HydrophobicContact CD1-CG 4.35Å; L38-L40 HydrophobicContact CD2-CD1 3.92Å; L38-L40 HydrophobicContact CD2-CG 4.18Å; L38-L40 HydrophobicContact CG-CD1 4.27Å; L38-L40 HydrophobicContact CG-CD2 4.38Å; L38-L40 HydrophobicContact CG-CG 4Å; L38-L52 HydrophobicContact CD2-CD2 3.3Å; L38-L55 HydrophobicContact CD2-CD1 4.25Å; L38-L58 HydrophobicContact CB-CD1 3.82Å; L38-H60 PolarHBondContact N-O 3.41Å; L38-L61 HydrophobicContact CB-CD1 4.22Å; L38-L61 HydrophobicContact CD2-CD1 4.22Å; L38-L61 HydrophobicContact CG-CD1 4.31Å; L38-Y62 PolarHBondContact O-N 2.93Å |
| 39 | K | 94.5 | Very high | 90.2 | Very high | 54 Ų | 54 | 35.9 Ų | 35.9 | 24% | 0.235 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 122.5 | 174.3 | -66.6 | 168 | 179.6 | 166.8 | 0 | 111.3 | I13 D14 F15 S16 W37 Y62 | I13-K39 PolarHBondContact O-N 2.8Å; I13-K39 VanDerWaalsContact O-N 3.08Å; D14-K39 HydrophobicContact CB-CB 4.22Å; D14-K39 HydrophobicContact CB-CD 4.11Å; D14-K39 VanDerWaalsContact CG-CD 3.5Å; D14-K39 VanDerWaalsContact OD1-CB 3.27Å; D14-K39 WeakPolarHBondContact OD1-CB 3.43Å; D14-K39 WeakPolarHBondContact OD2-CD 3.49Å; D14-K39 IonicContact OD2-NZ 3.74Å; F15-K39 CarbonylContact C-O 3.14Å; F15-K39 WeakPolarHBondContact CA-O 3.15Å; F15-K39 PolarHBondContact N-O 3.02Å; S16-K39 PolarHBondContact N-O 2.9Å; W37-K39 HydrophobicContact CE3-CD 4.31Å; W37-K39 HydrophobicContact CE3-CG 4.21Å; W37-K39 HydrophobicContact CZ3-CD 3.92Å; W37-K39 HydrophobicContact CZ3-CG 4.16Å; K39-Y62 HydrophobicContact CB-CD2 4.46Å; K39-Y62 HydrophobicContact CD-CD2 4.37Å; K39-Y62 HydrophobicContact CG-CD2 3.38Å; K39-Y62 HydrophobicContact CG-CE2 4.05Å; K39-Y62 HydrophobicContact CG-CG 3.73Å |
| 40 | L | 94 | Very high | 90.2 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | trans | -126.1 | 51.4 | 178.7 | -61.6 | 174.4 | 0 | 0 | 0 | 109.4 | F15 F20 F25 L38 T43 L45 L52 L61 Y62 L63 N66 | F15-L40 HydrophobicContact CB-CD2 3.9Å; F15-L40 HydrophobicContact CD2-CD2 4.23Å; F20-L40 HydrophobicContact CD2-CD2 4.27Å; F20-L40 HydrophobicContact CE2-CD2 3.83Å; F25-L40 HydrophobicContact CE2-CD1 4.24Å; F25-L40 HydrophobicContact CE2-CD2 3.69Å; F25-L40 HydrophobicContact CZ-CD2 4.41Å; L38-L40 HydrophobicContact CD1-CD2 4.21Å; L38-L40 HydrophobicContact CD1-CG 4.35Å; L38-L40 HydrophobicContact CD2-CD1 3.92Å; L38-L40 HydrophobicContact CD2-CG 4.18Å; L38-L40 HydrophobicContact CG-CD1 4.27Å; L38-L40 HydrophobicContact CG-CD2 4.38Å; L38-L40 HydrophobicContact CG-CG 4Å; L40-T43 HydrophobicContact CB-CG2 4.36Å; L40-T43 PolarHBondContact O-OG1 3.27Å; L40-L45 HydrophobicContact CB-CD1 4.02Å; L40-L45 HydrophobicContact CD1-CD1 3.99Å; L40-L52 HydrophobicContact CD1-CD1 4.5Å; L40-L61 HydrophobicContact CD1-CD1 4.48Å; L40-Y62 CarbonylContact C-O 3.18Å; L40-Y62 WeakPolarHBondContact CA-O 3.49Å; L40-Y62 PolarHBondContact N-O 2.87Å; L40-L63 HydrophobicContact CB-CD2 3.98Å; L40-L63 HydrophobicContact CD1-CD2 4Å; L40-N66 PolarHBondContact O-ND2 2.86Å | ||
| 41 | N | 92.1 | Very high | 90.3 | Very high | 21 Ų | 21 | 43.9 Ų | 43.9 | 11% | 0.112 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 138.7 | -178.7 | -50.2 | -56.7 | 0 | 0 | 0 | 110.4 | S16 R17 T43 Y62 I64 | S16-N41 CarbonylContact C-O 3.49Å; S16-N41 WeakPolarHBondContact CA-O 3.47Å; S16-N41 WeakPolarHBondContact CB-O 3.49Å; S16-N41 WeakPolarHBondContact OG-CB 3.48Å; S16-N41 PolarHBondContact OG-N 3.2Å; S16-N41 PolarHBondContact OG-ND2 3.45Å; R17-N41 PolarHBondContact N-O 2.92Å; N41-T43 VanDerWaalsContact C-N 3.33Å; N41-T43 PolarHBondContact O-N 3.17Å; N41-Y62 WeakPolarHBondContact OD1-CB 3.36Å; N41-I64 CarbonylContact C-O 3.01Å; N41-I64 WeakPolarHBondContact CA-O 3.43Å; N41-I64 HydrophobicContact CB-CB 4.15Å; N41-I64 WeakPolarHBondContact OD1-CB 3.39Å; N41-I64 VanDerWaalsContact OD1-CG1 3.24Å; N41-I64 WeakPolarHBondContact OD1-CG1 3.21Å; N41-I64 PolarHBondContact OD1-N 3.5Å |
| 42 | H | 90.3 | Very high | 90.4 | Very high | 94 Ų | 94 | 39.2 Ų | 39.2 | 44% | 0.435 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56 | 45.9 | -179.8 | -54.4 | 59.4 | 0 | 0 | 0 | 112.6 | R17 I64 N65 | R17-H42 WeakPolarHBondContact CA-O 3.44Å; R17-H42 HydrophobicContact CG-CB 4.38Å; H42-I64 PolarHBondContact N-O 2.81Å; H42-N65 WeakPolarHBondContact CA-O 3.17Å; H42-N65 PolarHBondContact CD2-ND2 3.27Å; H42-N65 PolarHBondContact NE2-ND2 3.3Å |
| 43 | T | 90 | Very high | 90.2 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -108 | 9.8 | -177.1 | 55.4 | 0 | 0 | 0 | 0 | 114.7 | F15 N18 F20 L40 N41 L45 N66 | F15-T43 WeakPolarHBondContact O-CG2 3.43Å; N18-T43 WeakPolarHBondContact O-CA 3.26Å; N18-T43 VanDerWaalsContact O-CB 3.3Å; N18-T43 WeakPolarHBondContact O-CB 3.3Å; N18-T43 WeakPolarHBondContact O-CG2 3.41Å; F20-T43 HydrophobicContact CD2-CG2 3.81Å; F20-T43 HydrophobicContact CE2-CG2 3.99Å; F20-T43 PolarHBondContact N-O 2.86Å; L40-T43 HydrophobicContact CB-CG2 4.36Å; L40-T43 PolarHBondContact O-OG1 3.27Å; N41-T43 VanDerWaalsContact C-N 3.33Å; N41-T43 PolarHBondContact O-N 3.17Å; T43-L45 PolarHBondContact O-N 2.95Å; T43-L45 VanDerWaalsContact O-N 3.16Å; T43-L45 VanDerWaalsContact OG1-CD1 3.24Å; T43-L45 WeakPolarHBondContact OG1-CD1 3.46Å; T43-L45 WeakPolarHBondContact OG1-CG 3.29Å; T43-N66 WeakPolarHBondContact CA-OD1 3.5Å; T43-N66 PolarHBondContact N-OD1 2.83Å; T43-N66 PolarHBondContact OG1-OD1 3.04Å; T43-N66 VanDerWaalsContact OG1-OD1 3.06Å |
| 44 | N | 88.6 | Confident | 90.3 | Very high | 84 Ų | 84 | 43.5 Ų | 43.5 | 45% | 0.449 | 20% | 0.204 | S | C | . | . | trans | 54.9 | 26.5 | -177.4 | -61.1 | -27.6 | 0 | 0 | 0 | 114.2 | D19 D46 N66 | D19-N44 PolarHBondContact OD1-ND2 3.5Å; D19-N44 PolarHBondContact OD2-ND2 2.76Å; N44-D46 PolarHBondContact O-N 2.89Å; N44-N66 PolarHBondContact N-OD1 2.71Å | ||
| 45 | L | 90.2 | Very high | 90.5 | Very high | 5 Ų | 5 | 43.3 Ų | 43.3 | 3% | 0.026 | 20% | 0.202 | C | C | . | . | trans | -69.1 | 131.1 | 178.1 | -70.1 | 168.5 | 0 | 0 | 0 | 110.8 | F20 L40 T43 P49 L63 N66 A67 L68 | F20-L45 HydrophobicContact CB-CD2 3.84Å; F20-L45 HydrophobicContact CB-CG 4.48Å; L40-L45 HydrophobicContact CB-CD1 4.02Å; L40-L45 HydrophobicContact CD1-CD1 3.99Å; T43-L45 PolarHBondContact O-N 2.95Å; T43-L45 VanDerWaalsContact O-N 3.16Å; T43-L45 VanDerWaalsContact OG1-CD1 3.24Å; T43-L45 WeakPolarHBondContact OG1-CD1 3.46Å; T43-L45 WeakPolarHBondContact OG1-CG 3.29Å; L45-P49 HydrophobicContact CD1-CG 4.46Å; L45-P49 HydrophobicContact CD2-CG 4.01Å; L45-L63 HydrophobicContact CD1-CD2 4.23Å; L45-N66 HydrophobicContact CB-CB 4.22Å; L45-N66 PolarHBondContact N-OD1 3.49Å; L45-A67 CarbonylContact O-C 3.26Å; L45-A67 WeakPolarHBondContact O-CA 3.47Å; L45-A67 PolarHBondContact O-N 2.69Å; L45-L68 HydrophobicContact CB-CD2 4.1Å; L45-L68 PolarHBondContact O-N 2.81Å | ||
| 46 | D | 88.8 | Confident | 90.3 | Very high | 86 Ų | 86 | 47.7 Ų | 47.7 | 46% | 0.46 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -97.7 | -30.8 | 174.8 | 60.6 | -22.1 | 0 | 0 | 0 | 112.5 | N44 | N44-D46 PolarHBondContact O-N 2.89Š|
| 47 | K | 88.3 | Confident | 90.3 | Very high | 93 Ų | 93 | 46.4 Ų | 46.4 | 40% | 0.404 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -132.9 | 166.6 | 171.9 | 61.6 | 176.1 | 178 | 167.5 | 0 | 112.1 | N23 L68 | N23-K47 WeakPolarHBondContact OD1-CE 3.48Å; N23-K47 PolarHBondContact OD1-NZ 2.82Å; N23-K47 VanDerWaalsContact OD1-NZ 3.09Å; K47-L68 VanDerWaalsContact C-CD2 3.43Å |
| 48 | I | 89 | Confident | 90.2 | Very high | 14 Ų | 14 | 44.8 Ų | 44.8 | 7% | 0.072 | 22% | 0.215 | C | C | . | . | trans | -71.1 | 128.8 | 171.7 | -61.5 | -56.9 | 0 | 0 | 0 | 109 | L52 L63 L68 L71 L75 | I48-L52 HydrophobicContact CG2-CD1 3.82Å; I48-L63 HydrophobicContact CD1-CD1 3.6Å; I48-L63 HydrophobicContact CD1-CD2 4.35Å; I48-L68 HydrophobicContact CD1-CD1 3.96Å; I48-L68 HydrophobicContact CD1-CD2 4.08Å; I48-L71 HydrophobicContact CD1-CD2 4.02Å; I48-L75 HydrophobicContact CD1-CD1 3.94Å; I48-L75 HydrophobicContact CG1-CD1 3.85Å; I48-L75 HydrophobicContact CG1-CG 4.47Å; I48-L75 HydrophobicContact CG2-CD1 4.13Å; I48-L75 HydrophobicContact CG2-CD2 4.2Å; I48-L75 HydrophobicContact CG2-CG 3.86Å | ||
| 49 | P | 89.2 | Confident | 90.2 | Very high | 12 Ų | 12 | 46.3 Ų | 46.3 | 8% | 0.078 | 22% | 0.222 | C | C | . | . | trans | -65.2 | 136.2 | 175.2 | -20 | 31.3 | 0 | 0 | 0 | 112.6 | F25 L45 Q51 L52 | F25-P49 HydrophobicContact CB-CB 4.26Å; F25-P49 HydrophobicContact CB-CG 4.31Å; F25-P49 HydrophobicContact CD1-CB 3.54Å; F25-P49 HydrophobicContact CD1-CG 3.98Å; F25-P49 HydrophobicContact CD2-CG 4.09Å; F25-P49 HydrophobicContact CE1-CB 3.97Å; F25-P49 HydrophobicContact CE1-CG 4.32Å; F25-P49 HydrophobicContact CE2-CG 4.44Å; F25-P49 HydrophobicContact CG-CB 3.85Å; F25-P49 HydrophobicContact CG-CG 3.84Å; L45-P49 HydrophobicContact CD1-CG 4.46Å; L45-P49 HydrophobicContact CD2-CG 4.01Å; P49-Q51 PolarHBondContact O-N 3.32Å; P49-L52 HydrophobicContact CB-CG 4.44Å; P49-L52 WeakPolarHBondContact O-CB 3.26Å; P49-L52 WeakPolarHBondContact O-CG 3.5Å; P49-L52 PolarHBondContact O-N 3.24Å | ||
| 50 | E | 87.3 | Confident | 90.2 | Very high | 136 Ų | 136 | 46.5 Ų | 46.5 | 64% | 0.636 | 22% | 0.224 | S | C | * | . | G | 310 helix | trans | -61.3 | -31.3 | 179.8 | -68.1 | 172.6 | -165 | 0 | 0 | 112 | L52 S53 | E50-L52 PolarHBondContact O-N 3.18Å; E50-S53 PolarHBondContact O-N 3.04Å; E50-S53 VanDerWaalsContact O-N 3.1Å; E50-S53 PolarHBondContact O-OG 2.88Å |
| 51 | Q | 88 | Confident | 90.2 | Very high | 39 Ų | 39 | 46.5 Ų | 46.5 | 18% | 0.182 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -59.4 | -21.1 | 179.3 | -64.1 | 74.5 | 16.3 | 0 | 0 | 113.2 | F25 P49 S53 K54 | F25-Q51 HydrophobicContact CD1-CB 4.22Å; F25-Q51 HydrophobicContact CD1-CG 4.36Å; F25-Q51 HydrophobicContact CE1-CB 4.04Å; P49-Q51 PolarHBondContact O-N 3.32Å; Q51-S53 PolarHBondContact O-N 3.48Å; Q51-K54 PolarHBondContact O-N 2.87Å |
| 52 | L | 89.3 | Confident | 90.4 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -63.9 | -28 | 178 | -64.7 | -175.1 | 0 | 0 | 0 | 112.6 | L38 L40 I48 P49 E50 K54 L55 L61 L75 L78 | L38-L52 HydrophobicContact CD2-CD2 3.3Å; L40-L52 HydrophobicContact CD1-CD1 4.5Å; I48-L52 HydrophobicContact CG2-CD1 3.82Å; P49-L52 HydrophobicContact CB-CG 4.44Å; P49-L52 WeakPolarHBondContact O-CB 3.26Å; P49-L52 WeakPolarHBondContact O-CG 3.5Å; P49-L52 PolarHBondContact O-N 3.24Å; E50-L52 PolarHBondContact O-N 3.18Å; L52-K54 PolarHBondContact O-N 2.85Å; L52-L55 HydrophobicContact CD2-CD1 3.68Å; L52-L55 VanDerWaalsContact O-CB 3.3Å; L52-L55 WeakPolarHBondContact O-CB 3.34Å; L52-L55 PolarHBondContact O-N 3.28Å; L52-L61 HydrophobicContact CD1-CD1 4.44Å; L52-L61 HydrophobicContact CD1-CD2 4.28Å; L52-L75 HydrophobicContact CD1-CD2 4.41Å; L52-L78 WeakPolarHBondContact O-CD2 3.45Å |
| 53 | S | 86.2 | Confident | 90.6 | Very high | 17 Ų | 17 | 43.9 Ų | 43.9 | 12% | 0.119 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -65.4 | -25.4 | -179.6 | 68.7 | 0 | 0 | 0 | 0 | 115 | E50 Q51 L55 K56 E74 | E50-S53 PolarHBondContact O-N 3.04Å; E50-S53 VanDerWaalsContact O-N 3.1Å; E50-S53 PolarHBondContact O-OG 2.88Å; Q51-S53 PolarHBondContact O-N 3.48Å; S53-L55 PolarHBondContact O-N 2.97Å; S53-K56 WeakPolarHBondContact O-CD 3.39Å; S53-K56 WeakPolarHBondContact O-CE 3.31Å; S53-K56 PolarHBondContact O-NZ 3.01Å; S53-E74 VanDerWaalsContact CB-CD 3.49Å; S53-E74 WeakPolarHBondContact CB-OE2 3.4Å; S53-E74 PolarHBondContact OG-OE2 3.26Å |
| 54 | K | 88.2 | Confident | 90.8 | Very high | 126 Ų | 126 | 46 Ų | 46 | 55% | 0.548 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -71.8 | -18.7 | 176 | -63.2 | -177 | 177.7 | -179.9 | 0 | 111.7 | Q51 L52 K56 | Q51-K54 PolarHBondContact O-N 2.87Å; L52-K54 PolarHBondContact O-N 2.85Å; K54-K56 VanDerWaalsContact C-N 3.3Å; K54-K56 PolarHBondContact O-N 3.2Å |
| 55 | L | 91.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -84.1 | 62.8 | -175.4 | -53.6 | 178.1 | 0 | 0 | 0 | 112.3 | V29 M32 L35 L38 L52 S53 N57 L58 L78 | V29-L55 HydrophobicContact CG1-CD1 4.44Å; V29-L55 WeakPolarHBondContact O-CD2 3.28Å; M32-L55 HydrophobicContact CB-CD2 4.36Å; M32-L55 WeakPolarHBondContact O-CD2 3.36Å; L35-L55 HydrophobicContact CB-CD2 4.2Å; L35-L55 HydrophobicContact CD2-CD1 3.85Å; L35-L55 HydrophobicContact CD2-CD2 4.48Å; L38-L55 HydrophobicContact CD2-CD1 4.25Å; L52-L55 HydrophobicContact CD2-CD1 3.68Å; L52-L55 VanDerWaalsContact O-CB 3.3Å; L52-L55 WeakPolarHBondContact O-CB 3.34Å; L52-L55 PolarHBondContact O-N 3.28Å; S53-L55 PolarHBondContact O-N 2.97Å; L55-N57 PolarHBondContact O-N 3.03Å; L55-L58 HydrophobicContact CB-CB 4.03Å; L55-L58 HydrophobicContact CD1-CD2 4.35Å; L55-L58 VanDerWaalsContact O-CB 3.27Å; L55-L58 WeakPolarHBondContact O-CB 3.2Å; L55-L58 PolarHBondContact O-N 3.29Å; L55-L78 WeakPolarHBondContact O-CD2 3.37Å | ||
| 56 | K | 89.2 | Confident | 91.1 | Very high | 93 Ų | 93 | 45.6 Ų | 45.6 | 40% | 0.404 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -17.7 | -174.9 | -59.7 | -51.9 | -172.7 | -166 | 0 | 115.3 | S53 K54 D77 P79 N80 | S53-K56 WeakPolarHBondContact O-CD 3.39Å; S53-K56 WeakPolarHBondContact O-CE 3.31Å; S53-K56 PolarHBondContact O-NZ 3.01Å; K54-K56 VanDerWaalsContact C-N 3.3Å; K54-K56 PolarHBondContact O-N 3.2Å; K56-D77 PolarHBondContact NZ-O 3.42Å; K56-P79 WeakPolarHBondContact O-CG 3.48Å; K56-N80 PolarHBondContact O-ND2 3.49Å |
| 57 | N | 91.6 | Very high | 91.1 | Very high | 65 Ų | 65 | 43.5 Ų | 43.5 | 35% | 0.348 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | 6 | 177.9 | -67.4 | -46.9 | 0 | 0 | 0 | 114 | A33 L35 R36 L55 E59 | A33-N57 PolarHBondContact O-ND2 3.46Å; L35-N57 CarbonylContact O-C 3.57Å; R36-N57 WeakPolarHBondContact CA-O 3.5Å; L55-N57 PolarHBondContact O-N 3.03Å; N57-E59 PolarHBondContact O-N 3.4Å |
| 58 | L | 93.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -71.2 | 118.1 | -175 | -168.5 | 70.2 | 0 | 0 | 0 | 111.4 | L35 L38 L55 L61 L78 N80 L81 | L35-L58 HydrophobicContact CD2-CD1 4.14Å; L35-L58 HydrophobicContact CG-CD1 4.28Å; L35-L58 VanDerWaalsContact O-CA 3.3Å; L35-L58 WeakPolarHBondContact O-CA 3.39Å; L35-L58 PolarHBondContact O-N 2.89Å; L38-L58 HydrophobicContact CB-CD1 3.82Å; L55-L58 HydrophobicContact CB-CB 4.03Å; L55-L58 HydrophobicContact CD1-CD2 4.35Å; L55-L58 VanDerWaalsContact O-CB 3.27Å; L55-L58 WeakPolarHBondContact O-CB 3.2Å; L55-L58 PolarHBondContact O-N 3.29Å; L58-L61 HydrophobicContact CD2-CB 4.27Å; L58-L61 HydrophobicContact CD2-CD1 4.32Å; L58-L78 HydrophobicContact CD2-CD1 4.02Å; L58-N80 CarbonylContact O-C 3.25Å; L58-L81 VanDerWaalsContact O-CA 3.29Å; L58-L81 WeakPolarHBondContact O-CA 3.41Å; L58-L81 PolarHBondContact O-N 3.29Å | ||
| 59 | E | 94.2 | Very high | 91.3 | Very high | 33 Ų | 33 | 42.2 Ų | 42.2 | 15% | 0.154 | 21% | 0.213 | C | C | . | . | trans | -101 | -38.8 | 179.9 | -63.1 | 175.1 | -145 | 0 | 0 | 112.3 | R36 N57 N80 R82 S83 | R36-E59 WeakPolarHBondContact CD-OE1 3.03Å; R36-E59 IonicContact NE-OE1 3.39Å; R36-E59 CarbonylContact O-C 3.07Å; R36-E59 WeakPolarHBondContact O-CA 3.12Å; R36-E59 WeakPolarHBondContact O-CB 3.46Å; R36-E59 PolarHBondContact O-N 2.98Å; N57-E59 PolarHBondContact O-N 3.4Å; E59-N80 WeakPolarHBondContact CA-O 3.47Å; E59-N80 HydrophobicContact CG-CB 4.47Å; E59-R82 HydrophobicContact CB-CB 4.43Å; E59-R82 HydrophobicContact CB-CG 4.04Å; E59-R82 HydrophobicContact CG-CG 4.31Å; E59-R82 CarbonylContact O-C 3.44Å; E59-R82 WeakPolarHBondContact O-CA 3.41Å; E59-R82 WeakPolarHBondContact O-CB 3.2Å; E59-R82 PolarHBondContact O-N 3.38Å; E59-R82 IonicContact OE2-NH1 3.48Å; E59-S83 PolarHBondContact O-N 3.02Å | ||
| 60 | H | 94.9 | Very high | 91.2 | Very high | 57 Ų | 57 | 43.1 Ų | 43.1 | 26% | 0.264 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 119.5 | -175.8 | -53.3 | -86.1 | 0 | 0 | 0 | 112.6 | R36 W37 L38 Y62 S83 | R36-H60 PolarHBondContact O-N 2.96Å; W37-H60 CarbonylContact C-O 3.39Å; W37-H60 VanDerWaalsContact CA-O 3.27Å; W37-H60 WeakPolarHBondContact CA-O 3.34Å; W37-H60 HydrophobicContact CB-CB 3.78Å; L38-H60 PolarHBondContact N-O 3.41Å; H60-Y62 HydrophobicContact CB-CE2 3.87Å; H60-S83 WeakPolarHBondContact ND1-CB 3.38Å |
| 61 | L | 95.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 122.9 | 178.9 | -178.1 | 59.8 | 0 | 0 | 0 | 111.5 | L38 L40 L52 L58 L63 L75 L81 S83 I85 | L38-L61 HydrophobicContact CB-CD1 4.22Å; L38-L61 HydrophobicContact CD2-CD1 4.22Å; L38-L61 HydrophobicContact CG-CD1 4.31Å; L40-L61 HydrophobicContact CD1-CD1 4.48Å; L52-L61 HydrophobicContact CD1-CD1 4.44Å; L52-L61 HydrophobicContact CD1-CD2 4.28Å; L58-L61 HydrophobicContact CD2-CB 4.27Å; L58-L61 HydrophobicContact CD2-CD1 4.32Å; L61-L63 HydrophobicContact CD1-CD2 4.44Å; L61-L63 HydrophobicContact CD1-CG 4.29Å; L61-L63 HydrophobicContact CD2-CD1 3.83Å; L61-L63 HydrophobicContact CD2-CG 4.36Å; L61-L63 HydrophobicContact CG-CD1 3.99Å; L61-L63 HydrophobicContact CG-CG 4.02Å; L61-L75 HydrophobicContact CD2-CD2 3.44Å; L61-L75 VanDerWaalsContact CD2-CD2 3.44Å; L61-L81 HydrophobicContact CB-CD1 4.13Å; L61-S83 PolarHBondContact N-O 3.26Å; L61-I85 PolarHBondContact O-N 2.92Å |
| 62 | Y | 95.1 | Very high | 90.7 | Very high | 60 Ų | 60 | 39.3 Ų | 39.3 | 24% | 0.235 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 120.7 | 178 | -54.2 | -105 | 0 | 0 | 0 | 110.5 | L38 K39 L40 N41 H60 I85 | L38-Y62 PolarHBondContact O-N 2.93Å; K39-Y62 HydrophobicContact CB-CD2 4.46Å; K39-Y62 HydrophobicContact CD-CD2 4.37Å; K39-Y62 HydrophobicContact CG-CD2 3.38Å; K39-Y62 HydrophobicContact CG-CE2 4.05Å; K39-Y62 HydrophobicContact CG-CG 3.73Å; L40-Y62 CarbonylContact C-O 3.18Å; L40-Y62 WeakPolarHBondContact CA-O 3.49Å; L40-Y62 PolarHBondContact N-O 2.87Å; N41-Y62 WeakPolarHBondContact OD1-CB 3.36Å; H60-Y62 HydrophobicContact CB-CE2 3.87Å; Y62-I85 HydrophobicContact CD1-CB 4.05Å; Y62-I85 HydrophobicContact CD1-CD1 3.66Å; Y62-I85 HydrophobicContact CD1-CG1 4.13Å; Y62-I85 HydrophobicContact CD1-CG2 4.44Å; Y62-I85 HydrophobicContact CE1-CD1 3.44Å; Y62-I85 VanDerWaalsContact CE1-CD1 3.44Å; Y62-I85 HydrophobicContact CE1-CG1 4.26Å |
| 63 | L | 94.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | trans | -127.3 | 40.1 | -175.4 | -67.4 | 162.9 | 0 | 0 | 0 | 110.9 | L40 L45 I48 L61 N66 L68 L71 I85 A86 N89 | L40-L63 HydrophobicContact CB-CD2 3.98Å; L40-L63 HydrophobicContact CD1-CD2 4Å; L45-L63 HydrophobicContact CD1-CD2 4.23Å; I48-L63 HydrophobicContact CD1-CD1 3.6Å; I48-L63 HydrophobicContact CD1-CD2 4.35Å; L61-L63 HydrophobicContact CD1-CD2 4.44Å; L61-L63 HydrophobicContact CD1-CG 4.29Å; L61-L63 HydrophobicContact CD2-CD1 3.83Å; L61-L63 HydrophobicContact CD2-CG 4.36Å; L61-L63 HydrophobicContact CG-CD1 3.99Å; L61-L63 HydrophobicContact CG-CG 4.02Å; L63-N66 PolarHBondContact O-ND2 3.34Å; L63-L68 HydrophobicContact CB-CD1 3.9Å; L63-L68 HydrophobicContact CD1-CD1 4.03Å; L63-L68 HydrophobicContact CD2-CD1 4.17Å; L63-L68 HydrophobicContact CG-CD1 4.27Å; L63-L71 HydrophobicContact CD1-CD2 4.22Å; L63-I85 PolarHBondContact N-O 2.98Å; L63-A86 HydrophobicContact CB-CB 4.42Å; L63-N89 PolarHBondContact O-ND2 3.49Å | ||
| 64 | I | 93.9 | Very high | 88.9 | Confident | 45 Ų | 45 | 44.7 Ų | 44.7 | 23% | 0.231 | 24% | 0.237 | C | C | . | . | trans | -76.1 | 132.9 | -171.3 | -54.2 | 168.7 | 0 | 0 | 0 | 111.1 | N41 H42 I85 R87 | N41-I64 CarbonylContact C-O 3.01Å; N41-I64 WeakPolarHBondContact CA-O 3.43Å; N41-I64 HydrophobicContact CB-CB 4.15Å; N41-I64 WeakPolarHBondContact OD1-CB 3.39Å; N41-I64 VanDerWaalsContact OD1-CG1 3.24Å; N41-I64 WeakPolarHBondContact OD1-CG1 3.21Å; N41-I64 PolarHBondContact OD1-N 3.5Å; H42-I64 PolarHBondContact N-O 2.81Å; I64-I85 HydrophobicContact CD1-CG2 3.83Å; I64-I85 HydrophobicContact CG1-CG2 3.71Å; I64-R87 CarbonylContact C-O 3.48Å; I64-R87 WeakPolarHBondContact CA-O 3.42Å; I64-R87 HydrophobicContact CG1-CB 4.35Å; I64-R87 HydrophobicContact CG2-CB 4.22Å; I64-R87 HydrophobicContact CG2-CG 4.33Å | ||
| 65 | N | 92.5 | Very high | 88.6 | Confident | 67 Ų | 67 | 38.7 Ų | 38.7 | 36% | 0.358 | 21% | 0.21 | S | C | . | . | S | Bend | trans | 61.8 | 57.9 | 173.8 | -160.5 | 42 | 0 | 0 | 0 | 112.8 | H42 R87 K88 | H42-N65 WeakPolarHBondContact CA-O 3.17Å; H42-N65 PolarHBondContact CD2-ND2 3.27Å; H42-N65 PolarHBondContact NE2-ND2 3.3Å; N65-R87 PolarHBondContact N-O 3.07Å; N65-K88 VanDerWaalsContact CA-O 3.29Å; N65-K88 WeakPolarHBondContact CA-O 3.12Å; N65-K88 HydrophobicContact CB-CB 4.33Å |
| 66 | N | 92.7 | Very high | 87.8 | Confident | 14 Ų | 14 | 40.5 Ų | 40.5 | 8% | 0.075 | 22% | 0.223 | C | C | . | . | trans | -117.1 | -175.7 | 171 | -69.9 | -55.6 | 0 | 0 | 0 | 110 | L40 T43 N44 L45 L63 L68 N89 | L40-N66 PolarHBondContact O-ND2 2.86Å; T43-N66 WeakPolarHBondContact CA-OD1 3.5Å; T43-N66 PolarHBondContact N-OD1 2.83Å; T43-N66 PolarHBondContact OG1-OD1 3.04Å; T43-N66 VanDerWaalsContact OG1-OD1 3.06Å; N44-N66 PolarHBondContact N-OD1 2.71Å; L45-N66 HydrophobicContact CB-CB 4.22Å; L45-N66 PolarHBondContact N-OD1 3.49Å; L63-N66 PolarHBondContact O-ND2 3.34Å; N66-L68 HydrophobicContact CB-CD1 4.37Å; N66-L68 HydrophobicContact CB-CG 4.02Å; N66-N89 VanDerWaalsContact CA-OD1 3.3Å; N66-N89 WeakPolarHBondContact CA-OD1 3.27Å; N66-N89 WeakPolarHBondContact CB-OD1 3.45Å; N66-N89 PolarHBondContact N-OD1 3.33Å; N66-N89 PolarHBondContact O-OD1 2.71Å; N66-N89 VanDerWaalsContact O-OD1 3.08Å | ||
| 67 | A | 89.6 | Confident | 87.3 | Confident | 41 Ų | 41 | 40.2 Ų | 40.2 | 34% | 0.339 | 23% | 0.226 | S | C | . | . | trans | -99.7 | 23.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L45 T69 | L45-A67 CarbonylContact O-C 3.26Å; L45-A67 WeakPolarHBondContact O-CA 3.47Å; L45-A67 PolarHBondContact O-N 2.69Å; A67-T69 PolarHBondContact O-N 3.24Å | ||
| 68 | L | 91 | Very high | 87.1 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | trans | -63.9 | 121.7 | -173.8 | -62.7 | 171.1 | 0 | 0 | 0 | 111 | L45 K47 I48 L63 N66 L71 N89 Q90 I91 | L45-L68 HydrophobicContact CB-CD2 4.1Å; L45-L68 PolarHBondContact O-N 2.81Å; K47-L68 VanDerWaalsContact C-CD2 3.43Å; I48-L68 HydrophobicContact CD1-CD1 3.96Å; I48-L68 HydrophobicContact CD1-CD2 4.08Å; L63-L68 HydrophobicContact CB-CD1 3.9Å; L63-L68 HydrophobicContact CD1-CD1 4.03Å; L63-L68 HydrophobicContact CD2-CD1 4.17Å; L63-L68 HydrophobicContact CG-CD1 4.27Å; N66-L68 HydrophobicContact CB-CD1 4.37Å; N66-L68 HydrophobicContact CB-CG 4.02Å; L68-L71 HydrophobicContact CD1-CD2 4.24Å; L68-N89 HydrophobicContact CB-CB 4.11Å; L68-N89 PolarHBondContact N-OD1 2.9Å; L68-Q90 CarbonylContact O-C 3.42Å; L68-Q90 VanDerWaalsContact O-C 3.31Å; L68-Q90 WeakPolarHBondContact O-CA 3.38Å; L68-Q90 PolarHBondContact O-N 2.88Å; L68-I91 HydrophobicContact CB-CG1 4.48Å; L68-I91 PolarHBondContact O-N 3.15Å | ||
| 69 | T | 89.7 | Confident | 86.7 | Confident | 81 Ų | 81 | 41.2 Ų | 41.2 | 50% | 0.497 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -91.9 | -22.7 | 172.4 | 57.1 | 0 | 0 | 0 | 0 | 112.3 | A67 Q90 | A67-T69 PolarHBondContact O-N 3.24Å; T69-Q90 HydrophobicContact CG2-CB 4.34Å |
| 70 | S | 88.4 | Confident | 86.5 | Confident | 30 Ų | 30 | 42.4 Ų | 42.4 | 21% | 0.21 | 24% | 0.244 | C | C | . | . | trans | -145.4 | 142.7 | -176.4 | -172.4 | 0 | 0 | 0 | 0 | 110.2 | H72 G95 | S70-H72 WeakPolarHBondContact OG-CB 3.42Å; S70-H72 PolarHBondContact OG-CD2 2.9Å; S70-H72 PolarHBondContact OG-N 2.77Å; S70-G95 CarbonylContact C-O 3.3Å; S70-G95 PolarHBondContact OG-O 3.43Å | ||
| 71 | L | 86.8 | Confident | 86.4 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | -94.9 | -0.7 | 162.7 | -60.2 | 179.1 | 0 | 0 | 0 | 111.5 | I48 L63 L68 L75 I84 A86 I91 G95 I96 F111 | I48-L71 HydrophobicContact CD1-CD2 4.02Å; L63-L71 HydrophobicContact CD1-CD2 4.22Å; L68-L71 HydrophobicContact CD1-CD2 4.24Å; L71-L75 HydrophobicContact CB-CD1 4.31Å; L71-I84 HydrophobicContact CD1-CD1 4.03Å; L71-A86 HydrophobicContact CD1-CB 4.2Å; L71-A86 HydrophobicContact CD2-CB 4.04Å; L71-I91 HydrophobicContact CD1-CD1 3.93Å; L71-I91 HydrophobicContact CD2-CD1 3.79Å; L71-I91 HydrophobicContact CG-CD1 3.7Å; L71-I91 HydrophobicContact CG-CG1 4.32Å; L71-G95 WeakPolarHBondContact CA-O 3.32Å; L71-G95 PolarHBondContact N-O 3.16Å; L71-I96 HydrophobicContact CD1-CG1 4.44Å; L71-F111 HydrophobicContact CD1-CD1 4.29Å; L71-F111 HydrophobicContact CD1-CE1 3.53Å; L71-F111 HydrophobicContact CD1-CZ 4.02Å | ||
| 72 | H | 77 | Confident | 86.3 | Confident | 95 Ų | 95 | 44.4 Ų | 44.4 | 44% | 0.44 | 25% | 0.249 | S | C | . | . | trans | -59.1 | 139.5 | 170.6 | -71 | -68.4 | 0 | 0 | 0 | 110.7 | S70 S94 G95 P97 | S70-H72 WeakPolarHBondContact OG-CB 3.42Å; S70-H72 PolarHBondContact OG-CD2 2.9Å; S70-H72 PolarHBondContact OG-N 2.77Å; H72-S94 PolarHBondContact CD2-O 3.44Å; H72-S94 PolarHBondContact NE2-O 3.02Å; H72-G95 PolarHBondContact N-O 3.48Å; H72-P97 VanDerWaalsContact CE1-CA 3.49Å; H72-P97 WeakPolarHBondContact CE1-CA 3.46Å | ||
| 73 | G | 67.4 | Low | 86.2 | Confident | 45 Ų | 45 | 41.7 Ų | 41.7 | 46% | 0.464 | 24% | 0.239 | S | C | . | . | S | Bend | trans | 146.6 | -174.3 | -170.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | L75 | G73-L75 PolarHBondContact O-N 3.08Š|
| 74 | E | 69.9 | Low | 86.2 | Confident | 86 Ų | 86 | 41.7 Ų | 41.7 | 40% | 0.402 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | 21.8 | -177.4 | -58.8 | 177.7 | 147.5 | 0 | 0 | 113.4 | S53 S76 D77 | S53-E74 VanDerWaalsContact CB-CD 3.49Å; S53-E74 WeakPolarHBondContact CB-OE2 3.4Å; S53-E74 PolarHBondContact OG-OE2 3.26Å; E74-S76 VanDerWaalsContact C-N 3.35Å; E74-D77 WeakPolarHBondContact CB-OD2 3.33Å; E74-D77 WeakPolarHBondContact O-CB 3.33Å; E74-D77 PolarHBondContact O-N 2.87Å |
| 75 | L | 82 | Confident | 86.2 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -34.9 | 171.8 | -76.8 | 177 | 0 | 0 | 0 | 111.7 | I48 L52 L61 L71 G73 D77 L78 I84 M103 | I48-L75 HydrophobicContact CD1-CD1 3.94Å; I48-L75 HydrophobicContact CG1-CD1 3.85Å; I48-L75 HydrophobicContact CG1-CG 4.47Å; I48-L75 HydrophobicContact CG2-CD1 4.13Å; I48-L75 HydrophobicContact CG2-CD2 4.2Å; I48-L75 HydrophobicContact CG2-CG 3.86Å; L52-L75 HydrophobicContact CD1-CD2 4.41Å; L61-L75 HydrophobicContact CD2-CD2 3.44Å; L61-L75 VanDerWaalsContact CD2-CD2 3.44Å; L71-L75 HydrophobicContact CB-CD1 4.31Å; G73-L75 PolarHBondContact O-N 3.08Å; L75-D77 PolarHBondContact O-N 3.28Å; L75-L78 HydrophobicContact CD2-CD1 3.75Å; L75-L78 WeakPolarHBondContact O-CB 3.29Å; L75-L78 WeakPolarHBondContact O-CG 3.41Å; L75-L78 PolarHBondContact O-N 3.44Å; L75-I84 HydrophobicContact CD1-CD1 4.36Å; L75-M103 VanDerWaalsContact O-CE 3.29Å; L75-M103 WeakPolarHBondContact O-CE 3.17Å |
| 76 | S | 75.7 | Confident | 86.3 | Confident | 38 Ų | 38 | 37.5 Ų | 37.5 | 27% | 0.266 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -21.5 | 175.3 | -59 | 0 | 0 | 0 | 0 | 112.4 | E74 L78 M103 | E74-S76 VanDerWaalsContact C-N 3.35Å; S76-L78 PolarHBondContact O-N 3.34Å; S76-M103 WeakPolarHBondContact O-CE 3.44Å |
| 77 | D | 78.3 | Confident | 86.3 | Confident | 87 Ų | 87 | 40.8 Ų | 40.8 | 47% | 0.465 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | 8 | -179.4 | -57.4 | -36.5 | 0 | 0 | 0 | 113.9 | K56 E74 L75 P79 | K56-D77 PolarHBondContact NZ-O 3.42Å; E74-D77 WeakPolarHBondContact CB-OD2 3.33Å; E74-D77 WeakPolarHBondContact O-CB 3.33Å; E74-D77 PolarHBondContact O-N 2.87Å; L75-D77 PolarHBondContact O-N 3.28Å; D77-P79 WeakPolarHBondContact O-CD 3.26Å |
| 78 | L | 88 | Confident | 86.4 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | trans | -94.2 | 99 | 179.7 | -61 | -179.5 | 0 | 0 | 0 | 110.4 | L52 L55 L58 L75 S76 N80 L81 M103 | L52-L78 WeakPolarHBondContact O-CD2 3.45Å; L55-L78 WeakPolarHBondContact O-CD2 3.37Å; L58-L78 HydrophobicContact CD2-CD1 4.02Å; L75-L78 HydrophobicContact CD2-CD1 3.75Å; L75-L78 WeakPolarHBondContact O-CB 3.29Å; L75-L78 WeakPolarHBondContact O-CG 3.41Å; L75-L78 PolarHBondContact O-N 3.44Å; S76-L78 PolarHBondContact O-N 3.34Å; L78-N80 VanDerWaalsContact C-N 3.25Å; L78-N80 PolarHBondContact O-N 3.38Å; L78-L81 HydrophobicContact CB-CB 4.13Å; L78-L81 HydrophobicContact CD1-CD1 4.4Å; L78-M103 WeakPolarHBondContact O-CE 3.47Å | ||
| 79 | P | 85.1 | Confident | 86.5 | Confident | 85 Ų | 85 | 44 Ų | 44 | 55% | 0.552 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -20.7 | -170.4 | 28.1 | -36.1 | 0 | 0 | 0 | 114 | K56 D77 | K56-P79 WeakPolarHBondContact O-CG 3.48Å; D77-P79 WeakPolarHBondContact O-CD 3.26Å |
| 80 | N | 90.1 | Very high | 86.6 | Confident | 59 Ų | 59 | 45.6 Ų | 45.6 | 32% | 0.316 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | 11.2 | -172 | -65.2 | -51.7 | 0 | 0 | 0 | 113.4 | K56 L58 E59 L78 R82 | K56-N80 PolarHBondContact O-ND2 3.49Å; L58-N80 CarbonylContact O-C 3.25Å; E59-N80 WeakPolarHBondContact CA-O 3.47Å; E59-N80 HydrophobicContact CG-CB 4.47Å; L78-N80 VanDerWaalsContact C-N 3.25Å; L78-N80 PolarHBondContact O-N 3.38Å; N80-R82 WeakPolarHBondContact O-CG 3.3Å; N80-R82 PolarHBondContact O-N 3.23Å |
| 81 | L | 92.2 | Very high | 86.7 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | trans | -69.1 | 120.7 | -174.6 | -168.8 | 71.1 | 0 | 0 | 0 | 111.2 | L58 L61 L78 I100 M103 | L58-L81 VanDerWaalsContact O-CA 3.29Å; L58-L81 WeakPolarHBondContact O-CA 3.41Å; L58-L81 PolarHBondContact O-N 3.29Å; L61-L81 HydrophobicContact CB-CD1 4.13Å; L78-L81 HydrophobicContact CB-CB 4.13Å; L78-L81 HydrophobicContact CD1-CD1 4.4Å; L81-I100 HydrophobicContact CD2-CD1 4.44Å; L81-M103 HydrophobicContact CB-SD 3.81Å; L81-M103 HydrophobicContact CD2-SD 4.13Å | ||
| 82 | R | 93.2 | Very high | 86.9 | Confident | 98 Ų | 98 | 50.3 Ų | 50.3 | 37% | 0.37 | 25% | 0.253 | S | S | . | . | trans | -107.1 | -30.5 | -178.1 | -55 | -166 | 161.4 | 176.6 | -10.8 | 113.6 | E59 N80 D105 T107 V108 | E59-R82 HydrophobicContact CB-CB 4.43Å; E59-R82 HydrophobicContact CB-CG 4.04Å; E59-R82 HydrophobicContact CG-CG 4.31Å; E59-R82 CarbonylContact O-C 3.44Å; E59-R82 WeakPolarHBondContact O-CA 3.41Å; E59-R82 WeakPolarHBondContact O-CB 3.2Å; E59-R82 PolarHBondContact O-N 3.38Å; E59-R82 IonicContact OE2-NH1 3.48Å; N80-R82 WeakPolarHBondContact O-CG 3.3Å; N80-R82 PolarHBondContact O-N 3.23Å; R82-D105 VanDerWaalsContact CA-O 3.3Å; R82-D105 WeakPolarHBondContact CA-O 3.28Å; R82-D105 HydrophobicContact CG-CB 4.18Å; R82-D105 IonicContact CZ-OD2 3.42Å; R82-D105 IonicContact NE-OD2 3.86Å; R82-D105 PolarHBondContact NE-OD2 3.48Å; R82-D105 IonicContact NH2-OD2 2.72Å; R82-D105 PolarHBondContact NH2-OD2 3.09Å; R82-T107 PolarHBondContact O-N 2.98Å; R82-T107 PolarHBondContact O-OG1 3.38Å; R82-V108 PolarHBondContact O-N 3.09Å | ||
| 83 | S | 93.5 | Very high | 87.3 | Confident | 3 Ų | 3 | 48.1 Ų | 48.1 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 124.1 | -174 | 173.4 | 0 | 0 | 0 | 0 | 110.9 | E59 H60 L61 V108 | E59-S83 PolarHBondContact O-N 3.02Å; H60-S83 WeakPolarHBondContact ND1-CB 3.38Å; L61-S83 PolarHBondContact N-O 3.26Å; S83-V108 WeakPolarHBondContact CA-O 3.37Å |
| 84 | I | 94 | Very high | 88.1 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 118 | 170.3 | -169.6 | 163.6 | 0 | 0 | 0 | 110.5 | L71 L75 I100 L106 V108 D110 F111 | L71-I84 HydrophobicContact CD1-CD1 4.03Å; L75-I84 HydrophobicContact CD1-CD1 4.36Å; I84-I100 HydrophobicContact CD1-CD1 3.51Å; I84-L106 HydrophobicContact CG2-CD1 4.27Å; I84-V108 PolarHBondContact N-O 3.09Å; I84-D110 PolarHBondContact O-N 2.87Å; I84-F111 HydrophobicContact CD1-CE1 4.49Å; I84-F111 HydrophobicContact CG1-CE1 4.42Å; I84-F111 HydrophobicContact CG2-CE1 4.11Å; I84-F111 HydrophobicContact CG2-CZ 4.14Å |
| 85 | I | 94.1 | Very high | 88.8 | Confident | 23 Ų | 23 | 46.5 Ų | 46.5 | 12% | 0.118 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 94.8 | -179.6 | -53.9 | -165.5 | 0 | 0 | 0 | 109 | L61 Y62 L63 I64 V108 D110 | L61-I85 PolarHBondContact O-N 2.92Å; Y62-I85 HydrophobicContact CD1-CB 4.05Å; Y62-I85 HydrophobicContact CD1-CD1 3.66Å; Y62-I85 HydrophobicContact CD1-CG1 4.13Å; Y62-I85 HydrophobicContact CD1-CG2 4.44Å; Y62-I85 HydrophobicContact CE1-CD1 3.44Å; Y62-I85 VanDerWaalsContact CE1-CD1 3.44Å; Y62-I85 HydrophobicContact CE1-CG1 4.26Å; L63-I85 PolarHBondContact N-O 2.98Å; I64-I85 HydrophobicContact CD1-CG2 3.83Å; I64-I85 HydrophobicContact CG1-CG2 3.71Å; I85-V108 HydrophobicContact CD1-CG1 4.26Å; I85-V108 HydrophobicContact CG1-CG1 4.31Å; I85-D110 HydrophobicContact CB-CB 4.36Å; I85-D110 HydrophobicContact CG1-CB 4.3Å; I85-D110 HydrophobicContact CG2-CB 3.99Å |
| 86 | A | 93.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | trans | -114.1 | 45.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L63 L71 N89 I91 D110 F111 N114 | L63-A86 HydrophobicContact CB-CB 4.42Å; L71-A86 HydrophobicContact CD1-CB 4.2Å; L71-A86 HydrophobicContact CD2-CB 4.04Å; A86-N89 PolarHBondContact O-ND2 2.86Å; A86-I91 HydrophobicContact CB-CD1 3.71Å; A86-D110 PolarHBondContact N-O 2.83Å; A86-F111 HydrophobicContact CB-CD1 4.12Å; A86-F111 HydrophobicContact CB-CE1 4.31Å; A86-N114 PolarHBondContact O-ND2 2.82Å | ||
| 87 | R | 93.6 | Very high | 89.6 | Confident | 84 Ų | 84 | 45.2 Ų | 45.2 | 32% | 0.317 | 23% | 0.226 | S | C | . | . | trans | -69 | 146.1 | 179.7 | 170.9 | 174 | -171.7 | 162.3 | 8.3 | 113 | I64 N65 N89 S112 H113 | I64-R87 CarbonylContact C-O 3.48Å; I64-R87 WeakPolarHBondContact CA-O 3.42Å; I64-R87 HydrophobicContact CG1-CB 4.35Å; I64-R87 HydrophobicContact CG2-CB 4.22Å; I64-R87 HydrophobicContact CG2-CG 4.33Å; N65-R87 PolarHBondContact N-O 3.07Å; R87-N89 PolarHBondContact O-ND2 3.11Å; R87-S112 CarbonylContact C-O 3.51Å; R87-S112 VanDerWaalsContact CA-O 3.23Å; R87-S112 WeakPolarHBondContact CA-O 3.3Å; R87-S112 WeakPolarHBondContact CD-OG 3.43Å; R87-S112 VanDerWaalsContact CG-OG 3.22Å; R87-S112 WeakPolarHBondContact CG-OG 3.3Å; R87-H113 PolarHBondContact NE-CD2 3.46Å; R87-H113 VanDerWaalsContact NE-CD2 3.32Å; R87-H113 PolarHBondContact NH2-CD2 3.07Å; R87-H113 PolarHBondContact NH2-NE2 3.28Å | ||
| 88 | K | 91.7 | Very high | 89.8 | Confident | 97 Ų | 97 | 43.5 Ų | 43.5 | 42% | 0.422 | 22% | 0.219 | S | C | . | . | S | Bend | trans | 57 | 56.9 | 177 | -71 | 179.5 | 177.2 | -171.5 | 0 | 111.7 | N65 S112 H113 | N65-K88 VanDerWaalsContact CA-O 3.29Å; N65-K88 WeakPolarHBondContact CA-O 3.12Å; N65-K88 HydrophobicContact CB-CB 4.33Å; K88-S112 PolarHBondContact N-O 3.15Å; K88-H113 VanDerWaalsContact CA-O 3.28Å; K88-H113 WeakPolarHBondContact CA-O 3.39Å; K88-H113 HydrophobicContact CB-CB 4.33Å; K88-H113 HydrophobicContact CG-CB 3.65Å; K88-H113 PolarHBondContact N-O 2.86Å |
| 89 | N | 93.4 | Very high | 89.7 | Confident | 11 Ų | 11 | 47.8 Ų | 47.8 | 6% | 0.059 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -123.4 | -171 | 171.7 | -73.4 | -69.9 | 0 | 0 | 0 | 109.1 | L63 N66 L68 A86 R87 I91 H113 N114 | L63-N89 PolarHBondContact O-ND2 3.49Å; N66-N89 VanDerWaalsContact CA-OD1 3.3Å; N66-N89 WeakPolarHBondContact CA-OD1 3.27Å; N66-N89 WeakPolarHBondContact CB-OD1 3.45Å; N66-N89 PolarHBondContact N-OD1 3.33Å; N66-N89 PolarHBondContact O-OD1 2.71Å; N66-N89 VanDerWaalsContact O-OD1 3.08Å; L68-N89 HydrophobicContact CB-CB 4.11Å; L68-N89 PolarHBondContact N-OD1 2.9Å; A86-N89 PolarHBondContact O-ND2 2.86Å; R87-N89 PolarHBondContact O-ND2 3.11Å; N89-I91 HydrophobicContact CB-CD1 3.83Å; N89-I91 HydrophobicContact CB-CG1 3.85Å; N89-H113 PolarHBondContact N-O 2.88Å; N89-N114 WeakPolarHBondContact CA-OD1 3.32Å; N89-N114 VanDerWaalsContact CB-OD1 3.27Å; N89-N114 WeakPolarHBondContact CB-OD1 3.36Å; N89-N114 PolarHBondContact N-OD1 2.84Å; N89-N114 PolarHBondContact O-OD1 2.96Å |
| 90 | Q | 90 | Very high | 89.8 | Confident | 114 Ų | 114 | 43.8 Ų | 43.8 | 53% | 0.533 | 22% | 0.216 | S | C | . | . | trans | -109 | 29.8 | 177.8 | -59.4 | -178.8 | 9.7 | 0 | 0 | 111.4 | L68 T69 K92 | L68-Q90 CarbonylContact O-C 3.42Å; L68-Q90 VanDerWaalsContact O-C 3.31Å; L68-Q90 WeakPolarHBondContact O-CA 3.38Å; L68-Q90 PolarHBondContact O-N 2.88Å; T69-Q90 HydrophobicContact CG2-CB 4.34Å; Q90-K92 PolarHBondContact O-N 2.68Å | ||
| 91 | I | 91.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | -70.6 | 128.9 | -171.5 | -59.1 | 160.6 | 0 | 0 | 0 | 109.7 | L68 L71 A86 N89 I96 N114 S115 | L68-I91 HydrophobicContact CB-CG1 4.48Å; L68-I91 PolarHBondContact O-N 3.15Å; L71-I91 HydrophobicContact CD1-CD1 3.93Å; L71-I91 HydrophobicContact CD2-CD1 3.79Å; L71-I91 HydrophobicContact CG-CD1 3.7Å; L71-I91 HydrophobicContact CG-CG1 4.32Å; A86-I91 HydrophobicContact CB-CD1 3.71Å; N89-I91 HydrophobicContact CB-CD1 3.83Å; N89-I91 HydrophobicContact CB-CG1 3.85Å; I91-I96 HydrophobicContact CG2-CD1 4.02Å; I91-I96 HydrophobicContact CG2-CG1 3.55Å; I91-N114 HydrophobicContact CB-CB 4.36Å; I91-N114 WeakPolarHBondContact CB-OD1 3.47Å; I91-N114 PolarHBondContact N-OD1 2.96Å; I91-N114 VanDerWaalsContact N-OD1 3.14Å; I91-S115 PolarHBondContact O-N 2.83Å | ||
| 92 | K | 89.4 | Confident | 89.4 | Confident | 130 Ų | 130 | 44.6 Ų | 44.6 | 57% | 0.565 | 22% | 0.22 | S | C | * | . | trans | -99.6 | 165.3 | 169.7 | -62.6 | 177 | -176.8 | 173.1 | 0 | 109.4 | Q90 S94 G95 | Q90-K92 PolarHBondContact O-N 2.68Å; K92-S94 VanDerWaalsContact C-N 3.27Å; K92-S94 PolarHBondContact O-N 2.83Å; K92-G95 WeakPolarHBondContact O-CA 3.43Å; K92-G95 PolarHBondContact O-N 3.47Å | ||
| 93 | I | 86.2 | Confident | 89.1 | Confident | 49 Ų | 49 | 41.1 Ų | 41.1 | 25% | 0.251 | 21% | 0.208 | S | C | . | . | G | 310 helix | trans | -52.2 | -47.1 | 175.5 | -74.8 | 163.9 | 0 | 0 | 0 | 111.7 | G95 I96 L116 K117 E118 | I93-G95 PolarHBondContact O-N 2.69Å; I93-I96 PolarHBondContact O-N 2.84Å; I93-I96 VanDerWaalsContact O-N 3.1Å; I93-L116 HydrophobicContact CG1-CD2 4.03Å; I93-K117 HydrophobicContact CD1-CB 4.49Å; I93-E118 HydrophobicContact CD1-CB 3.77Å; I93-E118 WeakPolarHBondContact CD1-O 3.3Å |
| 94 | S | 84.3 | Confident | 88.5 | Confident | 94 Ų | 94 | 49.5 Ų | 49.5 | 66% | 0.657 | 25% | 0.247 | S | C | * | . | G | 310 helix | trans | -64.5 | -10.8 | 178.7 | 63.8 | 0 | 0 | 0 | 0 | 113.5 | H72 K92 | H72-S94 PolarHBondContact CD2-O 3.44Å; H72-S94 PolarHBondContact NE2-O 3.02Å; K92-S94 VanDerWaalsContact C-N 3.27Å; K92-S94 PolarHBondContact O-N 2.83Å |
| 95 | G | 84.6 | Confident | 88.2 | Confident | 3 Ų | 3 | 52.4 Ų | 52.4 | 3% | 0.031 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -91.5 | -6.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | S70 L71 H72 K92 I93 | S70-G95 CarbonylContact C-O 3.3Å; S70-G95 PolarHBondContact OG-O 3.43Å; L71-G95 WeakPolarHBondContact CA-O 3.32Å; L71-G95 PolarHBondContact N-O 3.16Å; H72-G95 PolarHBondContact N-O 3.48Å; K92-G95 WeakPolarHBondContact O-CA 3.43Å; K92-G95 PolarHBondContact O-N 3.47Å; I93-G95 PolarHBondContact O-N 2.69Å |
| 96 | I | 88.9 | Confident | 88.1 | Confident | 6 Ų | 6 | 51.3 Ų | 51.3 | 3% | 0.031 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -101.2 | 122.2 | 179.5 | -58 | 171.8 | 0 | 0 | 0 | 108.4 | L71 I91 I93 T98 I100 F101 F111 L116 P120 | L71-I96 HydrophobicContact CD1-CG1 4.44Å; I91-I96 HydrophobicContact CG2-CD1 4.02Å; I91-I96 HydrophobicContact CG2-CG1 3.55Å; I93-I96 PolarHBondContact O-N 2.84Å; I93-I96 VanDerWaalsContact O-N 3.1Å; I96-T98 PolarHBondContact O-N 2.91Å; I96-I100 HydrophobicContact CG2-CG2 4.27Å; I96-F101 HydrophobicContact CG2-CE2 3.9Å; I96-F101 HydrophobicContact CG2-CZ 3.74Å; I96-F111 HydrophobicContact CD1-CD2 3.9Å; I96-F111 HydrophobicContact CD1-CE2 3.9Å; I96-F111 HydrophobicContact CD1-CG 4.44Å; I96-F111 HydrophobicContact CD1-CZ 4.42Å; I96-F111 HydrophobicContact CG2-CE2 4.32Å; I96-F111 HydrophobicContact CG2-CZ 4.35Å; I96-L116 HydrophobicContact CD1-CD1 4.42Å; I96-L116 HydrophobicContact CD1-CD2 3.86Å; I96-P120 HydrophobicContact CD1-CB 4.17Å; I96-P120 HydrophobicContact CD1-CG 3.74Å |
| 97 | P | 85.5 | Confident | 88 | Confident | 5 Ų | 5 | 53.1 Ų | 53.1 | 3% | 0.032 | 27% | 0.268 | C | S | . | . | trans | -65 | 132.8 | 174.4 | 23.7 | -29.5 | 0 | 0 | 0 | 110.3 | H72 D99 I100 | H72-P97 VanDerWaalsContact CE1-CA 3.49Å; H72-P97 WeakPolarHBondContact CE1-CA 3.46Å; P97-D99 PolarHBondContact O-N 3.42Å; P97-I100 HydrophobicContact CG-CB 4.22Å; P97-I100 WeakPolarHBondContact O-CG2 3.38Å; P97-I100 PolarHBondContact O-N 2.8Å | ||
| 98 | T | 82.5 | Confident | 88.1 | Confident | 51 Ų | 51 | 50.7 Ų | 50.7 | 31% | 0.313 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -64.7 | -30.7 | -179.9 | 41.7 | 0 | 0 | 0 | 0 | 112.9 | I96 I100 F101 P121 | I96-T98 PolarHBondContact O-N 2.91Å; T98-I100 VanDerWaalsContact C-N 3.26Å; T98-I100 PolarHBondContact O-N 3.01Å; T98-F101 PolarHBondContact O-N 2.72Å; T98-P121 HydrophobicContact CG2-CB 4.22Å; T98-P121 HydrophobicContact CG2-CG 3.82Å |
| 99 | D | 85.2 | Confident | 88.3 | Confident | 91 Ų | 91 | 46.1 Ų | 46.1 | 49% | 0.487 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -77.3 | -16.7 | -170.7 | -45.8 | -22.8 | 0 | 0 | 0 | 111.5 | P97 F101 D102 | P97-D99 PolarHBondContact O-N 3.42Å; D99-F101 PolarHBondContact O-N 2.8Å; D99-F101 VanDerWaalsContact O-N 3.17Å; D99-D102 WeakPolarHBondContact O-CB 3.27Å; D99-D102 PolarHBondContact O-N 2.86Å |
| 100 | I | 88.3 | Confident | 88.3 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -59.8 | -28.4 | 175.3 | -157.6 | 172.7 | 0 | 0 | 0 | 111.8 | L81 I84 I96 P97 T98 M103 L106 | L81-I100 HydrophobicContact CD2-CD1 4.44Å; I84-I100 HydrophobicContact CD1-CD1 3.51Å; I96-I100 HydrophobicContact CG2-CG2 4.27Å; P97-I100 HydrophobicContact CG-CB 4.22Å; P97-I100 WeakPolarHBondContact O-CG2 3.38Å; P97-I100 PolarHBondContact O-N 2.8Å; T98-I100 VanDerWaalsContact C-N 3.26Å; T98-I100 PolarHBondContact O-N 3.01Å; I100-M103 HydrophobicContact CG1-CE 4.15Å; I100-M103 HydrophobicContact CG1-SD 3.99Å; I100-M103 WeakPolarHBondContact O-CB 3.13Å; I100-M103 VanDerWaalsContact O-CG 3.31Å; I100-M103 WeakPolarHBondContact O-CG 3.3Å; I100-L106 WeakPolarHBondContact O-CD2 3.37Å |
| 101 | F | 89.1 | Confident | 88.5 | Confident | 1 Ų | 1 | 41 Ų | 41 | 0% | 0.004 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -85.3 | -8.4 | -179.9 | -53.8 | -59.5 | 0 | 0 | 0 | 113.5 | I96 T98 D99 L106 I109 F111 P120 P121 N122 L123 R125 A126 | I96-F101 HydrophobicContact CG2-CE2 3.9Å; I96-F101 HydrophobicContact CG2-CZ 3.74Å; T98-F101 PolarHBondContact O-N 2.72Å; D99-F101 PolarHBondContact O-N 2.8Å; D99-F101 VanDerWaalsContact O-N 3.17Å; F101-L106 HydrophobicContact CD1-CD2 4.25Å; F101-I109 HydrophobicContact CD1-CD1 4.2Å; F101-I109 HydrophobicContact CE1-CD1 4.24Å; F101-F111 HydrophobicContact CE1-CE2 4.05Å; F101-F111 AromaticContact CZ-CE2 3.93Å; F101-F111 HydrophobicContact CZ-CE2 3.93Å; F101-P120 HydrophobicContact CE2-CB 3.73Å; F101-P120 HydrophobicContact CZ-CB 3.7Å; F101-P120 HydrophobicContact CZ-CG 4.31Å; F101-P121 WeakPolarHBondContact CD2-O 3.5Å; F101-P121 WeakPolarHBondContact CE2-O 3.44Å; F101-N122 VanDerWaalsContact CB-O 3.24Å; F101-N122 WeakPolarHBondContact CB-O 3.14Å; F101-N122 HydrophobicContact CD2-CB 4.43Å; F101-L123 HydrophobicContact CD1-CD1 3.7Å; F101-L123 HydrophobicContact CE1-CD1 3.36Å; F101-L123 HydrophobicContact CE2-CB 4.48Å; F101-L123 HydrophobicContact CG-CD1 4.49Å; F101-L123 HydrophobicContact CZ-CB 4.42Å; F101-L123 HydrophobicContact CZ-CD1 3.9Å; F101-R125 CarbonylContact O-C 3.58Å; F101-R125 VanDerWaalsContact O-C 3.3Å; F101-A126 HydrophobicContact CB-CB 4.34Å; F101-A126 HydrophobicContact CD1-CB 4.35Å; F101-A126 PolarHBondContact O-N 2.83Å |
| 102 | D | 85.2 | Confident | 88.7 | Confident | 77 Ų | 77 | 41 Ų | 41 | 41% | 0.412 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -80.9 | -8.3 | 171.5 | -66.5 | -39 | 0 | 0 | 0 | 111.8 | D99 Q104 R125 | D99-D102 WeakPolarHBondContact O-CB 3.27Å; D99-D102 PolarHBondContact O-N 2.86Å; D102-Q104 PolarHBondContact O-N 2.81Å; D102-R125 WeakPolarHBondContact OD1-CD 3.44Å; D102-R125 IonicContact OD1-CZ 3.76Å; D102-R125 IonicContact OD1-NE 2.97Å; D102-R125 IonicContact OD1-NH1 3.85Å; D102-R125 PolarHBondContact OD1-NH1 2.83Å; D102-R125 IonicContact OD2-NH1 3.82Å; D102-R125 PolarHBondContact OD2-NH1 2.81Å |
| 103 | M | 86.8 | Confident | 88.9 | Confident | 24 Ų | 24 | 37.8 Ų | 37.8 | 12% | 0.118 | 21% | 0.206 | C | C | . | . | trans | -64.6 | 118.1 | 176.3 | -65.7 | 178.2 | 176.1 | 0 | 0 | 111 | L75 S76 L78 L81 I100 D105 L106 | L75-M103 VanDerWaalsContact O-CE 3.29Å; L75-M103 WeakPolarHBondContact O-CE 3.17Å; S76-M103 WeakPolarHBondContact O-CE 3.44Å; L78-M103 WeakPolarHBondContact O-CE 3.47Å; L81-M103 HydrophobicContact CB-SD 3.81Å; L81-M103 HydrophobicContact CD2-SD 4.13Å; I100-M103 HydrophobicContact CG1-CE 4.15Å; I100-M103 HydrophobicContact CG1-SD 3.99Å; I100-M103 WeakPolarHBondContact O-CB 3.13Å; I100-M103 VanDerWaalsContact O-CG 3.31Å; I100-M103 WeakPolarHBondContact O-CG 3.3Å; M103-D105 VanDerWaalsContact C-N 3.26Å; M103-D105 PolarHBondContact O-N 3.3Å; M103-L106 HydrophobicContact CB-CB 4.11Å; M103-L106 PolarHBondContact O-N 3.12Å | ||
| 104 | Q | 81.4 | Confident | 89.2 | Confident | 180 Ų | 180 | 36.1 Ų | 36.1 | 84% | 0.841 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64 | -30.9 | -174 | -63.5 | -177.4 | 11.5 | 0 | 0 | 113.2 | D102 | D102-Q104 PolarHBondContact O-N 2.81Š|
| 105 | D | 86.5 | Confident | 89.4 | Confident | 61 Ų | 61 | 34.2 Ų | 34.2 | 33% | 0.326 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 3 | -172.6 | -91.2 | 21.2 | 0 | 0 | 0 | 113.4 | R82 M103 T107 | R82-D105 VanDerWaalsContact CA-O 3.3Å; R82-D105 WeakPolarHBondContact CA-O 3.28Å; R82-D105 HydrophobicContact CG-CB 4.18Å; R82-D105 IonicContact CZ-OD2 3.42Å; R82-D105 IonicContact NE-OD2 3.86Å; R82-D105 PolarHBondContact NE-OD2 3.48Å; R82-D105 IonicContact NH2-OD2 2.72Å; R82-D105 PolarHBondContact NH2-OD2 3.09Å; M103-D105 VanDerWaalsContact C-N 3.26Å; M103-D105 PolarHBondContact O-N 3.3Å; D105-T107 PolarHBondContact O-N 3.4Å; D105-T107 VanDerWaalsContact O-N 3.14Å |
| 106 | L | 91.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -72.5 | 107.2 | -176.8 | -168.4 | 69.2 | 0 | 0 | 0 | 111.3 | I84 I100 F101 M103 I109 G128 A129 | I84-L106 HydrophobicContact CG2-CD1 4.27Å; I100-L106 WeakPolarHBondContact O-CD2 3.37Å; F101-L106 HydrophobicContact CD1-CD2 4.25Å; M103-L106 HydrophobicContact CB-CB 4.11Å; M103-L106 PolarHBondContact O-N 3.12Å; L106-I109 HydrophobicContact CD2-CD1 3.71Å; L106-I109 HydrophobicContact CD2-CG1 3.86Å; L106-I109 HydrophobicContact CG-CD1 4.21Å; L106-I109 HydrophobicContact CG-CG1 4.01Å; L106-G128 CarbonylContact O-C 3.33Å; L106-A129 PolarHBondContact O-N 3.25Å | ||
| 107 | T | 93.1 | Very high | 89.8 | Confident | 38 Ų | 38 | 40.4 Ų | 40.4 | 23% | 0.233 | 21% | 0.21 | C | C | . | . | trans | -106.8 | -33.6 | -174.4 | 53.8 | 0 | 0 | 0 | 0 | 114.1 | R82 D105 I130 V131 | R82-T107 PolarHBondContact O-N 2.98Å; R82-T107 PolarHBondContact O-OG1 3.38Å; D105-T107 PolarHBondContact O-N 3.4Å; D105-T107 VanDerWaalsContact O-N 3.14Å; T107-I130 HydrophobicContact CG2-CD1 4.05Å; T107-I130 HydrophobicContact CG2-CG1 4.44Å; T107-I130 PolarHBondContact O-N 3.39Å; T107-V131 PolarHBondContact O-N 2.88Å | ||
| 108 | V | 95.3 | Very high | 90.1 | Very high | 33 Ų | 33 | 46.3 Ų | 46.3 | 20% | 0.2 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 118.1 | -175.1 | 179.6 | 0 | 0 | 0 | 0 | 110.5 | R82 S83 I84 I85 V131 | R82-V108 PolarHBondContact O-N 3.09Å; S83-V108 WeakPolarHBondContact CA-O 3.37Å; I84-V108 PolarHBondContact N-O 3.09Å; I85-V108 HydrophobicContact CD1-CG1 4.26Å; I85-V108 HydrophobicContact CG1-CG1 4.31Å; V108-V131 HydrophobicContact CB-CB 4.37Å; V108-V131 HydrophobicContact CG1-CB 4.12Å; V108-V131 HydrophobicContact CG1-CG1 4.18Å; V108-V131 HydrophobicContact CG2-CB 4.12Å; V108-V131 HydrophobicContact CG2-CG2 4.17Å |
| 109 | I | 95 | Very high | 90.5 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 107.7 | -179.8 | -54.1 | 174.3 | 0 | 0 | 0 | 108.6 | F101 L106 F111 L123 A126 A129 V131 L132 N133 | F101-I109 HydrophobicContact CD1-CD1 4.2Å; F101-I109 HydrophobicContact CE1-CD1 4.24Å; L106-I109 HydrophobicContact CD2-CD1 3.71Å; L106-I109 HydrophobicContact CD2-CG1 3.86Å; L106-I109 HydrophobicContact CG-CD1 4.21Å; L106-I109 HydrophobicContact CG-CG1 4.01Å; I109-F111 HydrophobicContact CG2-CD2 3.84Å; I109-F111 HydrophobicContact CG2-CE1 4.49Å; I109-F111 HydrophobicContact CG2-CE2 3.54Å; I109-F111 HydrophobicContact CG2-CG 4.44Å; I109-F111 HydrophobicContact CG2-CZ 3.9Å; I109-L123 HydrophobicContact CD1-CD1 3.78Å; I109-L123 HydrophobicContact CG2-CD1 4.43Å; I109-A126 HydrophobicContact CD1-CB 3.88Å; I109-A129 HydrophobicContact CD1-CB 4.31Å; I109-V131 PolarHBondContact N-O 2.93Å; I109-L132 HydrophobicContact CB-CD1 4.07Å; I109-L132 HydrophobicContact CG2-CD1 4.12Å; I109-N133 PolarHBondContact O-N 3.12Å |
| 110 | D | 94.3 | Very high | 90.7 | Very high | 18 Ų | 18 | 40.8 Ų | 40.8 | 10% | 0.096 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 104 | 175.2 | -177 | -1.7 | 0 | 0 | 0 | 110.9 | I84 I85 A86 S112 N133 | I84-D110 PolarHBondContact O-N 2.87Å; I85-D110 HydrophobicContact CB-CB 4.36Å; I85-D110 HydrophobicContact CG1-CB 4.3Å; I85-D110 HydrophobicContact CG2-CB 3.99Å; A86-D110 PolarHBondContact N-O 2.83Å; D110-S112 WeakPolarHBondContact OD1-CB 3.13Å; D110-S112 PolarHBondContact OD1-N 2.85Å; D110-S112 PolarHBondContact OD1-OG 3.2Å; D110-N133 HydrophobicContact CB-CB 4.15Å; D110-N133 PolarHBondContact OD1-ND2 2.84Å |
| 111 | F | 94.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | -113 | 29.6 | 172.3 | -58.7 | -37.3 | 0 | 0 | 0 | 111.7 | L71 I84 A86 I96 F101 I109 N114 L116 P120 N133 L134 N137 | L71-F111 HydrophobicContact CD1-CD1 4.29Å; L71-F111 HydrophobicContact CD1-CE1 3.53Å; L71-F111 HydrophobicContact CD1-CZ 4.02Å; I84-F111 HydrophobicContact CD1-CE1 4.49Å; I84-F111 HydrophobicContact CG1-CE1 4.42Å; I84-F111 HydrophobicContact CG2-CE1 4.11Å; I84-F111 HydrophobicContact CG2-CZ 4.14Å; A86-F111 HydrophobicContact CB-CD1 4.12Å; A86-F111 HydrophobicContact CB-CE1 4.31Å; I96-F111 HydrophobicContact CD1-CD2 3.9Å; I96-F111 HydrophobicContact CD1-CE2 3.9Å; I96-F111 HydrophobicContact CD1-CG 4.44Å; I96-F111 HydrophobicContact CD1-CZ 4.42Å; I96-F111 HydrophobicContact CG2-CE2 4.32Å; I96-F111 HydrophobicContact CG2-CZ 4.35Å; F101-F111 HydrophobicContact CE1-CE2 4.05Å; F101-F111 AromaticContact CZ-CE2 3.93Å; F101-F111 HydrophobicContact CZ-CE2 3.93Å; I109-F111 HydrophobicContact CG2-CD2 3.84Å; I109-F111 HydrophobicContact CG2-CE1 4.49Å; I109-F111 HydrophobicContact CG2-CE2 3.54Å; I109-F111 HydrophobicContact CG2-CG 4.44Å; I109-F111 HydrophobicContact CG2-CZ 3.9Å; F111-N114 VanDerWaalsContact C-ND2 3.29Å; F111-N114 PolarHBondContact O-ND2 2.87Å; F111-L116 HydrophobicContact CB-CD1 4.03Å; F111-P120 HydrophobicContact CD2-CG 4.35Å; F111-N133 PolarHBondContact N-O 3.24Å; F111-L134 HydrophobicContact CB-CD2 4.12Å; F111-L134 HydrophobicContact CD2-CD2 4.23Å; F111-N137 PolarHBondContact O-ND2 3.17Å; F111-N137 VanDerWaalsContact O-ND2 3.09Å | ||
| 112 | S | 94.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | trans | -65.7 | 151.9 | 179 | 60.8 | 0 | 0 | 0 | 0 | 113.4 | R87 K88 D110 N114 N133 S135 | R87-S112 CarbonylContact C-O 3.51Å; R87-S112 VanDerWaalsContact CA-O 3.23Å; R87-S112 WeakPolarHBondContact CA-O 3.3Å; R87-S112 WeakPolarHBondContact CD-OG 3.43Å; R87-S112 VanDerWaalsContact CG-OG 3.22Å; R87-S112 WeakPolarHBondContact CG-OG 3.3Å; K88-S112 PolarHBondContact N-O 3.15Å; D110-S112 WeakPolarHBondContact OD1-CB 3.13Å; D110-S112 PolarHBondContact OD1-N 2.85Å; D110-S112 PolarHBondContact OD1-OG 3.2Å; S112-N114 PolarHBondContact O-ND2 2.65Å; S112-N133 PolarHBondContact N-O 2.9Å; S112-S135 CarbonylContact C-O 3.57Å; S112-S135 WeakPolarHBondContact CA-O 3.42Å; S112-S135 WeakPolarHBondContact CB-O 3.4Å; S112-S135 WeakPolarHBondContact CB-OG 3.47Å | ||
| 113 | H | 93.8 | Very high | 90.8 | Very high | 63 Ų | 63 | 42 Ų | 42 | 29% | 0.292 | 22% | 0.217 | S | C | . | . | S | Bend | trans | 53.4 | 54.9 | -176.4 | -60.4 | -96.1 | 0 | 0 | 0 | 112.8 | R87 K88 N89 S135 C136 | R87-H113 PolarHBondContact NE-CD2 3.46Å; R87-H113 VanDerWaalsContact NE-CD2 3.32Å; R87-H113 PolarHBondContact NH2-CD2 3.07Å; R87-H113 PolarHBondContact NH2-NE2 3.28Å; K88-H113 VanDerWaalsContact CA-O 3.28Å; K88-H113 WeakPolarHBondContact CA-O 3.39Å; K88-H113 HydrophobicContact CB-CB 4.33Å; K88-H113 HydrophobicContact CG-CB 3.65Å; K88-H113 PolarHBondContact N-O 2.86Å; N89-H113 PolarHBondContact N-O 2.88Å; H113-S135 PolarHBondContact N-O 2.92Å; H113-C136 WeakPolarHBondContact CA-O 3.45Å; H113-C136 HydrophobicContact CB-CB 4.32Å; H113-C136 PolarHBondContact CE1-SG 3.03Å |
| 114 | N | 93.2 | Very high | 90.9 | Very high | 14 Ų | 14 | 42.9 Ų | 42.9 | 8% | 0.075 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -123.9 | -167 | 172.1 | -79.6 | -68.5 | 0 | 0 | 0 | 109.6 | A86 N89 I91 F111 S112 L116 N137 | A86-N114 PolarHBondContact O-ND2 2.82Å; N89-N114 WeakPolarHBondContact CA-OD1 3.32Å; N89-N114 VanDerWaalsContact CB-OD1 3.27Å; N89-N114 WeakPolarHBondContact CB-OD1 3.36Å; N89-N114 PolarHBondContact N-OD1 2.84Å; N89-N114 PolarHBondContact O-OD1 2.96Å; I91-N114 HydrophobicContact CB-CB 4.36Å; I91-N114 WeakPolarHBondContact CB-OD1 3.47Å; I91-N114 PolarHBondContact N-OD1 2.96Å; I91-N114 VanDerWaalsContact N-OD1 3.14Å; F111-N114 VanDerWaalsContact C-ND2 3.29Å; F111-N114 PolarHBondContact O-ND2 2.87Å; S112-N114 PolarHBondContact O-ND2 2.65Å; N114-L116 HydrophobicContact CB-CG 4.35Å; N114-N137 WeakPolarHBondContact CA-OD1 3.5Å; N114-N137 WeakPolarHBondContact CB-OD1 3.35Å; N114-N137 PolarHBondContact N-OD1 2.9Å; N114-N137 PolarHBondContact O-OD1 2.85Å; N114-N137 VanDerWaalsContact O-OD1 3.1Å |
| 115 | S | 89 | Confident | 91.3 | Very high | 53 Ų | 53 | 39.7 Ų | 39.7 | 37% | 0.371 | 20% | 0.202 | S | C | . | . | trans | -110.5 | 36.7 | -177.6 | -63.1 | 0 | 0 | 0 | 0 | 112.8 | I91 M138 | I91-S115 PolarHBondContact O-N 2.83Å; S115-M138 VanDerWaalsContact O-CE 3.31Å; S115-M138 WeakPolarHBondContact O-CE 3.47Å | ||
| 116 | L | 91.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | trans | -77.5 | 124.6 | -176.6 | -55.5 | 177.1 | 0 | 0 | 0 | 111.5 | I93 I96 F111 N114 P120 L134 N137 M138 L139 | I93-L116 HydrophobicContact CG1-CD2 4.03Å; I96-L116 HydrophobicContact CD1-CD1 4.42Å; I96-L116 HydrophobicContact CD1-CD2 3.86Å; F111-L116 HydrophobicContact CB-CD1 4.03Å; N114-L116 HydrophobicContact CB-CG 4.35Å; L116-P120 HydrophobicContact CD1-CG 4.24Å; L116-L134 HydrophobicContact CD1-CD2 4.4Å; L116-N137 HydrophobicContact CB-CB 4.09Å; L116-N137 WeakPolarHBondContact CB-OD1 3.45Å; L116-N137 WeakPolarHBondContact CG-OD1 3.49Å; L116-N137 PolarHBondContact N-OD1 3.27Å; L116-N137 VanDerWaalsContact N-OD1 3.16Å; L116-M138 CarbonylContact O-C 3.59Å; L116-M138 VanDerWaalsContact O-CA 3.28Å; L116-M138 WeakPolarHBondContact O-CA 3.39Å; L116-M138 WeakPolarHBondContact O-CB 3.49Å; L116-M138 PolarHBondContact O-N 3.5Å; L116-L139 HydrophobicContact CB-CD2 4.27Å | ||
| 117 | K | 90.4 | Very high | 91.3 | Very high | 139 Ų | 139 | 45 Ų | 45 | 60% | 0.604 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -88.2 | -26.3 | 176.3 | -69.1 | -174 | 176.9 | -175.7 | 0 | 114 | I93 M138 L139 | I93-K117 HydrophobicContact CD1-CB 4.49Å; K117-M138 HydrophobicContact CG-CB 4.46Å; K117-M138 HydrophobicContact CG-CE 3.72Å; K117-M138 VanDerWaalsContact O-O 3.07Å; K117-L139 WeakPolarHBondContact O-CA 3.28Å |
| 118 | E | 90.5 | Very high | 91.1 | Very high | 130 Ų | 130 | 44.5 Ų | 44.5 | 61% | 0.607 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -143.7 | 163.5 | -177 | -61.9 | 176.5 | -168.9 | 0 | 0 | 107.5 | I93 L139 | I93-E118 HydrophobicContact CD1-CB 3.77Å; I93-E118 WeakPolarHBondContact CD1-O 3.3Å; E118-L139 VanDerWaalsContact O-CD2 3.24Å; E118-L139 WeakPolarHBondContact O-CD2 3.32Å |
| 119 | T | 90.8 | Very high | 90.9 | Very high | 22 Ų | 22 | 43 Ų | 43 | 14% | 0.135 | 21% | 0.211 | C | C | . | . | P | Polyproline II helix | trans | -62.9 | 138.2 | 176.2 | 51.7 | 0 | 0 | 0 | 0 | 109.8 | L134 L139 I142 P143 | T119-L134 HydrophobicContact CG2-CD1 4.39Å; T119-L139 HydrophobicContact CG2-CD1 4.44Å; T119-L139 HydrophobicContact CG2-CD2 4.47Å; T119-I142 HydrophobicContact CG2-CD1 3.6Å; T119-P143 WeakPolarHBondContact OG1-CD 3.39Å; T119-P143 WeakPolarHBondContact OG1-CG 3.43Å |
| 120 | P | 89.8 | Confident | 90.9 | Very high | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.019 | 23% | 0.227 | C | C | . | . | P | Polyproline II helix | trans | -51.3 | 137.4 | 176.9 | -25.5 | 32.2 | 0 | 0 | 0 | 111.9 | I96 F101 F111 L116 L123 | I96-P120 HydrophobicContact CD1-CB 4.17Å; I96-P120 HydrophobicContact CD1-CG 3.74Å; F101-P120 HydrophobicContact CE2-CB 3.73Å; F101-P120 HydrophobicContact CZ-CB 3.7Å; F101-P120 HydrophobicContact CZ-CG 4.31Å; F111-P120 HydrophobicContact CD2-CG 4.35Å; L116-P120 HydrophobicContact CD1-CG 4.24Å; P120-L123 HydrophobicContact CB-CB 4.41Å; P120-L123 VanDerWaalsContact O-CB 3.25Å; P120-L123 WeakPolarHBondContact O-CB 3.17Å; P120-L123 PolarHBondContact O-N 3.24Å |
| 121 | P | 85.6 | Confident | 91 | Very high | 59 Ų | 59 | 47.1 Ų | 47.1 | 38% | 0.383 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | 144.7 | 177.1 | 24.6 | -32.8 | 0 | 0 | 0 | 110.4 | T98 F101 L123 | T98-P121 HydrophobicContact CG2-CB 4.22Å; T98-P121 HydrophobicContact CG2-CG 3.82Å; F101-P121 WeakPolarHBondContact CD2-O 3.5Å; F101-P121 WeakPolarHBondContact CE2-O 3.44Å; P121-L123 PolarHBondContact O-N 3.4Å; P121-L123 VanDerWaalsContact O-N 3.14Å |
| 122 | N | 88.7 | Confident | 91.1 | Very high | 45 Ų | 45 | 47.1 Ų | 47.1 | 24% | 0.241 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.6 | 8.8 | -177.1 | -58.8 | -21.6 | 0 | 0 | 0 | 115.7 | F101 D124 R125 | F101-N122 VanDerWaalsContact CB-O 3.24Å; F101-N122 WeakPolarHBondContact CB-O 3.14Å; F101-N122 HydrophobicContact CD2-CB 4.43Å; N122-D124 WeakPolarHBondContact CA-OD1 3.31Å; N122-D124 PolarHBondContact O-N 3.3Å; N122-D124 VanDerWaalsContact O-N 3.11Å; N122-R125 HydrophobicContact CB-CG 4.06Å; N122-R125 VanDerWaalsContact O-CB 3.26Å; N122-R125 WeakPolarHBondContact O-CB 3.31Å; N122-R125 WeakPolarHBondContact O-CG 3.22Å; N122-R125 PolarHBondContact O-N 3.12Å; N122-R125 PolarHBondContact OD1-NH2 3.22Å |
| 123 | L | 91.6 | Very high | 91.1 | Very high | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -56.2 | -29.6 | 174.4 | 179.7 | 65.3 | 0 | 0 | 0 | 112 | F101 I109 P120 P121 R125 A126 L132 L134 L146 | F101-L123 HydrophobicContact CD1-CD1 3.7Å; F101-L123 HydrophobicContact CE1-CD1 3.36Å; F101-L123 HydrophobicContact CE2-CB 4.48Å; F101-L123 HydrophobicContact CG-CD1 4.49Å; F101-L123 HydrophobicContact CZ-CB 4.42Å; F101-L123 HydrophobicContact CZ-CD1 3.9Å; I109-L123 HydrophobicContact CD1-CD1 3.78Å; I109-L123 HydrophobicContact CG2-CD1 4.43Å; P120-L123 HydrophobicContact CB-CB 4.41Å; P120-L123 VanDerWaalsContact O-CB 3.25Å; P120-L123 WeakPolarHBondContact O-CB 3.17Å; P120-L123 PolarHBondContact O-N 3.24Å; P121-L123 PolarHBondContact O-N 3.4Å; P121-L123 VanDerWaalsContact O-N 3.14Å; L123-R125 PolarHBondContact O-N 3.27Å; L123-A126 WeakPolarHBondContact O-CB 3.31Å; L123-A126 PolarHBondContact O-N 3.1Å; L123-L132 HydrophobicContact CD1-CD1 4.29Å; L123-L132 HydrophobicContact CD2-CD1 4.13Å; L123-L132 HydrophobicContact CD2-CD2 4.32Å; L123-L134 HydrophobicContact CD2-CD1 4.03Å; L123-L146 HydrophobicContact CB-CD1 4.04Å; L123-L146 HydrophobicContact CD2-CD1 3.7Å; L123-L146 HydrophobicContact CD2-CD2 4.47Å; L123-L146 HydrophobicContact CG-CD1 3.64Å |
| 124 | D | 87.8 | Confident | 91.2 | Very high | 41 Ų | 41 | 44.5 Ų | 44.5 | 22% | 0.219 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -66.3 | -11.5 | 174.3 | 65.8 | -59.1 | 0 | 0 | 0 | 113.9 | N122 Q145 L146 N149 | N122-D124 WeakPolarHBondContact CA-OD1 3.31Å; N122-D124 PolarHBondContact O-N 3.3Å; N122-D124 VanDerWaalsContact O-N 3.11Å; D124-Q145 HydrophobicContact CB-CB 4.48Å; D124-Q145 HydrophobicContact CB-CG 4.27Å; D124-Q145 WeakPolarHBondContact OD2-CG 3.38Å; D124-L146 HydrophobicContact CB-CD1 4.34Å; D124-N149 WeakPolarHBondContact O-CB 3.38Å; D124-N149 PolarHBondContact O-ND2 3.14Å; D124-N149 PolarHBondContact OD2-ND2 2.91Å |
| 125 | R | 90.3 | Very high | 91.3 | Very high | 113 Ų | 113 | 44 Ų | 44 | 43% | 0.426 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -80.5 | -18.2 | 173.5 | -59.5 | -170.7 | -173.3 | 174.2 | -0.4 | 113.4 | F101 D102 N122 L123 R127 | F101-R125 CarbonylContact O-C 3.58Å; F101-R125 VanDerWaalsContact O-C 3.3Å; D102-R125 WeakPolarHBondContact OD1-CD 3.44Å; D102-R125 IonicContact OD1-CZ 3.76Å; D102-R125 IonicContact OD1-NE 2.97Å; D102-R125 IonicContact OD1-NH1 3.85Å; D102-R125 PolarHBondContact OD1-NH1 2.83Å; D102-R125 IonicContact OD2-NH1 3.82Å; D102-R125 PolarHBondContact OD2-NH1 2.81Å; N122-R125 HydrophobicContact CB-CG 4.06Å; N122-R125 VanDerWaalsContact O-CB 3.26Å; N122-R125 WeakPolarHBondContact O-CB 3.31Å; N122-R125 WeakPolarHBondContact O-CG 3.22Å; N122-R125 PolarHBondContact O-N 3.12Å; N122-R125 PolarHBondContact OD1-NH2 3.22Å; L123-R125 PolarHBondContact O-N 3.27Å; R125-R127 PolarHBondContact O-N 3.01Å |
| 126 | A | 90.6 | Very high | 91.6 | Very high | 2 Ų | 2 | 43.1 Ų | 43.1 | 2% | 0.017 | 21% | 0.213 | C | C | . | . | trans | -74.1 | 65.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | F101 I109 L123 G128 A129 | F101-A126 HydrophobicContact CB-CB 4.34Å; F101-A126 HydrophobicContact CD1-CB 4.35Å; F101-A126 PolarHBondContact O-N 2.83Å; I109-A126 HydrophobicContact CD1-CB 3.88Å; L123-A126 WeakPolarHBondContact O-CB 3.31Å; L123-A126 PolarHBondContact O-N 3.1Å; A126-G128 VanDerWaalsContact C-N 3.26Å; A126-G128 PolarHBondContact O-N 3.44Å; A126-A129 HydrophobicContact CB-CB 4.36Å; A126-A129 VanDerWaalsContact O-CB 3.26Å; A126-A129 WeakPolarHBondContact O-CB 3.48Å; A126-A129 PolarHBondContact O-N 3.26Å | ||
| 127 | R | 87.6 | Confident | 91.7 | Very high | 171 Ų | 171 | 43.7 Ų | 43.7 | 65% | 0.645 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -28.4 | -174.5 | -67.4 | 178.4 | -176.4 | -176.6 | 2.2 | 113.4 | R125 A129 N149 | R125-R127 PolarHBondContact O-N 3.01Å; R127-A129 VanDerWaalsContact C-N 3.28Å; R127-A129 PolarHBondContact O-N 2.65Å; R127-N149 HydrophobicContact CG-CB 4.3Å |
| 128 | G | 87.8 | Confident | 91.8 | Very high | 28 Ų | 28 | 40 Ų | 40 | 29% | 0.289 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | 4.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | L106 A126 I130 | L106-G128 CarbonylContact O-C 3.33Å; A126-G128 VanDerWaalsContact C-N 3.26Å; A126-G128 PolarHBondContact O-N 3.44Å; G128-I130 PolarHBondContact O-N 2.92Å |
| 129 | A | 92.7 | Very high | 92 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | -69.7 | 123 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L106 I109 A126 R127 M150 L153 | L106-A129 PolarHBondContact O-N 3.25Å; I109-A129 HydrophobicContact CD1-CB 4.31Å; A126-A129 HydrophobicContact CB-CB 4.36Å; A126-A129 VanDerWaalsContact O-CB 3.26Å; A126-A129 WeakPolarHBondContact O-CB 3.48Å; A126-A129 PolarHBondContact O-N 3.26Å; R127-A129 VanDerWaalsContact C-N 3.28Å; R127-A129 PolarHBondContact O-N 2.65Å; A129-M150 HydrophobicContact CB-CE 3.22Å; A129-L153 HydrophobicContact CB-CD2 4.46Å; A129-L153 WeakPolarHBondContact O-CD2 3.49Å | ||
| 130 | I | 94.1 | Very high | 92.1 | Very high | 65 Ų | 65 | 38.3 Ų | 38.3 | 33% | 0.333 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -101.1 | -33.1 | 178.7 | -61.1 | 173.7 | 0 | 0 | 0 | 110.7 | T107 G128 I154 Y155 | T107-I130 HydrophobicContact CG2-CD1 4.05Å; T107-I130 HydrophobicContact CG2-CG1 4.44Å; T107-I130 PolarHBondContact O-N 3.39Å; G128-I130 PolarHBondContact O-N 2.92Å; I130-I154 HydrophobicContact CG2-CB 3.78Å; I130-I154 HydrophobicContact CG2-CD1 3.63Å; I130-I154 HydrophobicContact CG2-CG1 3.74Å; I130-I154 PolarHBondContact O-N 2.87Å; I130-Y155 PolarHBondContact O-N 3.23Å; I130-Y155 VanDerWaalsContact O-N 3.13Å |
| 131 | V | 96.2 | Very high | 92.2 | Very high | 40 Ų | 40 | 41.7 Ų | 41.7 | 24% | 0.242 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 117.5 | -177.8 | 179.4 | 0 | 0 | 0 | 0 | 109.3 | T107 V108 I109 Y155 | T107-V131 PolarHBondContact O-N 2.88Å; V108-V131 HydrophobicContact CB-CB 4.37Å; V108-V131 HydrophobicContact CG1-CB 4.12Å; V108-V131 HydrophobicContact CG1-CG1 4.18Å; V108-V131 HydrophobicContact CG2-CB 4.12Å; V108-V131 HydrophobicContact CG2-CG2 4.17Å; I109-V131 PolarHBondContact N-O 2.93Å; V131-Y155 HydrophobicContact CG1-CD1 3.77Å; V131-Y155 HydrophobicContact CG1-CG 4.13Å |
| 132 | L | 96.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 117 | 173.9 | -179.5 | 64.5 | 0 | 0 | 0 | 110.4 | I109 L123 L134 L146 M150 L153 Y155 L156 D157 | I109-L132 HydrophobicContact CB-CD1 4.07Å; I109-L132 HydrophobicContact CG2-CD1 4.12Å; L123-L132 HydrophobicContact CD1-CD1 4.29Å; L123-L132 HydrophobicContact CD2-CD1 4.13Å; L123-L132 HydrophobicContact CD2-CD2 4.32Å; L132-L134 HydrophobicContact CD1-CD1 4.2Å; L132-L134 HydrophobicContact CD1-CD2 4.11Å; L132-L134 HydrophobicContact CD1-CG 3.91Å; L132-L134 HydrophobicContact CD2-CD1 4.18Å; L132-L134 HydrophobicContact CG-CD1 4.3Å; L132-L134 HydrophobicContact CG-CG 4.12Å; L132-L146 HydrophobicContact CD2-CD2 4.24Å; L132-M150 HydrophobicContact CB-CE 4.31Å; L132-M150 HydrophobicContact CD1-CE 4.45Å; L132-M150 HydrophobicContact CD2-CE 3.96Å; L132-M150 HydrophobicContact CD2-SD 4.16Å; L132-M150 HydrophobicContact CG-CE 4.46Å; L132-L153 HydrophobicContact CB-CD2 3.79Å; L132-Y155 PolarHBondContact N-O 3.4Å; L132-L156 HydrophobicContact CB-CD1 4.12Å; L132-L156 HydrophobicContact CD2-CD1 3.92Å; L132-L156 HydrophobicContact CG-CD1 4.18Å; L132-L156 WeakPolarHBondContact O-CA 3.24Å; L132-D157 PolarHBondContact O-N 2.68Å |
| 133 | N | 95.3 | Very high | 92.7 | Very high | 9 Ų | 9 | 39.8 Ų | 39.8 | 5% | 0.048 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 110.1 | 174.9 | -171.1 | -3.2 | 0 | 0 | 0 | 110.8 | I109 D110 F111 S112 S135 Y155 D157 | I109-N133 PolarHBondContact O-N 3.12Å; D110-N133 HydrophobicContact CB-CB 4.15Å; D110-N133 PolarHBondContact OD1-ND2 2.84Å; F111-N133 PolarHBondContact N-O 3.24Å; S112-N133 PolarHBondContact N-O 2.9Å; N133-S135 WeakPolarHBondContact OD1-CB 3.46Å; N133-S135 PolarHBondContact OD1-N 2.81Å; N133-S135 VanDerWaalsContact OD1-N 3.08Å; N133-S135 PolarHBondContact OD1-OG 2.76Å; N133-Y155 HydrophobicContact CB-CE1 4.42Å; N133-D157 HydrophobicContact CB-CB 4.47Å |
| 134 | L | 95.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | -119.6 | 23.1 | 176.1 | -57.5 | 176 | 0 | 0 | 0 | 111.5 | F111 L116 T119 L123 L132 N137 L139 D157 L158 N161 | F111-L134 HydrophobicContact CB-CD2 4.12Å; F111-L134 HydrophobicContact CD2-CD2 4.23Å; L116-L134 HydrophobicContact CD1-CD2 4.4Å; T119-L134 HydrophobicContact CG2-CD1 4.39Å; L123-L134 HydrophobicContact CD2-CD1 4.03Å; L132-L134 HydrophobicContact CD1-CD1 4.2Å; L132-L134 HydrophobicContact CD1-CD2 4.11Å; L132-L134 HydrophobicContact CD1-CG 3.91Å; L132-L134 HydrophobicContact CD2-CD1 4.18Å; L132-L134 HydrophobicContact CG-CD1 4.3Å; L132-L134 HydrophobicContact CG-CG 4.12Å; L134-N137 PolarHBondContact O-ND2 3.22Å; L134-L139 HydrophobicContact CB-CD1 3.86Å; L134-L139 HydrophobicContact CD1-CD1 4.04Å; L134-D157 PolarHBondContact N-O 3.23Å; L134-L158 HydrophobicContact CB-CD2 4.05Å; L134-L158 HydrophobicContact CD1-CD2 4.24Å; L134-N161 PolarHBondContact O-ND2 3.13Å | ||
| 135 | S | 95.6 | Very high | 92.8 | Very high | 4 Ų | 4 | 44.7 Ų | 44.7 | 3% | 0.028 | 23% | 0.234 | C | C | . | . | trans | -65.4 | 156.8 | -178.4 | 58.8 | 0 | 0 | 0 | 0 | 113.9 | S112 H113 N133 N137 D157 S159 | S112-S135 CarbonylContact C-O 3.57Å; S112-S135 WeakPolarHBondContact CA-O 3.42Å; S112-S135 WeakPolarHBondContact CB-O 3.4Å; S112-S135 WeakPolarHBondContact CB-OG 3.47Å; H113-S135 PolarHBondContact N-O 2.92Å; N133-S135 WeakPolarHBondContact OD1-CB 3.46Å; N133-S135 PolarHBondContact OD1-N 2.81Å; N133-S135 VanDerWaalsContact OD1-N 3.08Å; N133-S135 PolarHBondContact OD1-OG 2.76Å; S135-N137 PolarHBondContact O-N 2.97Å; S135-N137 PolarHBondContact O-ND2 3.38Å; S135-D157 WeakPolarHBondContact CB-OD1 3.36Å; S135-D157 PolarHBondContact N-O 3.1Å; S135-S159 CarbonylContact C-O 3.17Å; S135-S159 WeakPolarHBondContact CA-O 3.32Å; S135-S159 WeakPolarHBondContact CB-O 3.46Å; S135-S159 WeakPolarHBondContact CB-OG 3.48Å | ||
| 136 | C | 95.1 | Very high | 92.9 | Very high | 33 Ų | 33 | 39.4 Ų | 39.4 | 22% | 0.223 | 21% | 0.214 | C | C | . | . | S | Bend | trans | 54 | 51.3 | -179.7 | -58.4 | 0 | 0 | 0 | 0 | 112.5 | H113 S159 Y160 | H113-C136 WeakPolarHBondContact CA-O 3.45Å; H113-C136 HydrophobicContact CB-CB 4.32Å; H113-C136 PolarHBondContact CE1-SG 3.03Å; C136-S159 PolarHBondContact N-O 3.26Å; C136-Y160 WeakPolarHBondContact CA-O 3.4Å; C136-Y160 PolarHBondContact N-O 3.45Å |
| 137 | N | 93.8 | Very high | 93 | Very high | 13 Ų | 13 | 39.3 Ų | 39.3 | 7% | 0.07 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -122.8 | -167 | 172.4 | -78.8 | -67.2 | 0 | 0 | 0 | 108.8 | F111 N114 L116 L134 S135 L139 Y160 N161 | F111-N137 PolarHBondContact O-ND2 3.17Å; F111-N137 VanDerWaalsContact O-ND2 3.09Å; N114-N137 WeakPolarHBondContact CA-OD1 3.5Å; N114-N137 WeakPolarHBondContact CB-OD1 3.35Å; N114-N137 PolarHBondContact N-OD1 2.9Å; N114-N137 PolarHBondContact O-OD1 2.85Å; N114-N137 VanDerWaalsContact O-OD1 3.1Å; L116-N137 HydrophobicContact CB-CB 4.09Å; L116-N137 WeakPolarHBondContact CB-OD1 3.45Å; L116-N137 WeakPolarHBondContact CG-OD1 3.49Å; L116-N137 PolarHBondContact N-OD1 3.27Å; L116-N137 VanDerWaalsContact N-OD1 3.16Å; L134-N137 PolarHBondContact O-ND2 3.22Å; S135-N137 PolarHBondContact O-N 2.97Å; S135-N137 PolarHBondContact O-ND2 3.38Å; N137-L139 HydrophobicContact CB-CG 4.17Å; N137-Y160 PolarHBondContact N-O 2.6Å; N137-Y160 VanDerWaalsContact O-O 3.05Å; N137-N161 WeakPolarHBondContact CA-OD1 3.39Å; N137-N161 VanDerWaalsContact CB-OD1 3.26Å; N137-N161 WeakPolarHBondContact CB-OD1 3.44Å; N137-N161 PolarHBondContact N-OD1 2.95Å; N137-N161 PolarHBondContact O-OD1 3.28Å |
| 138 | M | 92 | Very high | 93.1 | Very high | 61 Ų | 61 | 32.9 Ų | 32.9 | 30% | 0.3 | 19% | 0.193 | S | C | . | . | trans | -113.1 | 30.8 | 179.1 | -59 | 179.4 | -76.5 | 0 | 0 | 111.9 | S115 L116 K117 E140 | S115-M138 VanDerWaalsContact O-CE 3.31Å; S115-M138 WeakPolarHBondContact O-CE 3.47Å; L116-M138 CarbonylContact O-C 3.59Å; L116-M138 VanDerWaalsContact O-CA 3.28Å; L116-M138 WeakPolarHBondContact O-CA 3.39Å; L116-M138 WeakPolarHBondContact O-CB 3.49Å; L116-M138 PolarHBondContact O-N 3.5Å; K117-M138 HydrophobicContact CG-CB 4.46Å; K117-M138 HydrophobicContact CG-CE 3.72Å; K117-M138 VanDerWaalsContact O-O 3.07Å; M138-E140 PolarHBondContact O-N 3.01Å | ||
| 139 | L | 94 | Very high | 93.2 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | trans | -67.3 | 123.4 | -174.2 | -57.3 | 178.8 | 0 | 0 | 0 | 111.8 | L116 K117 E118 T119 L134 N137 I142 N161 R162 L163 | L116-L139 HydrophobicContact CB-CD2 4.27Å; K117-L139 WeakPolarHBondContact O-CA 3.28Å; E118-L139 VanDerWaalsContact O-CD2 3.24Å; E118-L139 WeakPolarHBondContact O-CD2 3.32Å; T119-L139 HydrophobicContact CG2-CD1 4.44Å; T119-L139 HydrophobicContact CG2-CD2 4.47Å; L134-L139 HydrophobicContact CB-CD1 3.86Å; L134-L139 HydrophobicContact CD1-CD1 4.04Å; N137-L139 HydrophobicContact CB-CG 4.17Å; L139-I142 HydrophobicContact CD1-CD1 4.03Å; L139-N161 HydrophobicContact CB-CB 4.06Å; L139-N161 WeakPolarHBondContact CB-OD1 3.31Å; L139-N161 VanDerWaalsContact CG-OD1 3.28Å; L139-N161 WeakPolarHBondContact CG-OD1 3.21Å; L139-N161 PolarHBondContact N-OD1 3.17Å; L139-R162 CarbonylContact O-C 3.57Å; L139-R162 VanDerWaalsContact O-C 3.3Å; L139-R162 VanDerWaalsContact O-CA 3.28Å; L139-R162 WeakPolarHBondContact O-CA 3.43Å; L139-R162 WeakPolarHBondContact O-CB 3.45Å; L139-R162 PolarHBondContact O-N 3.39Å; L139-L163 HydrophobicContact CB-CD2 4.09Å; L139-L163 PolarHBondContact O-N 2.64Å | ||
| 140 | E | 92.8 | Very high | 93.2 | Very high | 116 Ų | 116 | 33.2 Ų | 33.2 | 54% | 0.542 | 19% | 0.188 | S | C | . | . | trans | -92.6 | -28 | 177.7 | -64.2 | -175.8 | 179.1 | 0 | 0 | 113.2 | M138 R162 | M138-E140 PolarHBondContact O-N 3.01Å; E140-R162 HydrophobicContact CG-CB 4.12Å; E140-R162 IonicContact OE1-NH1 3.76Å | ||
| 141 | S | 91.7 | Very high | 92.9 | Very high | 74 Ų | 74 | 31.1 Ų | 31.1 | 52% | 0.517 | 18% | 0.18 | S | C | . | . | trans | -150.1 | 162.5 | 176.4 | 67.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 142 | I | 93.2 | Very high | 92.7 | Very high | 10 Ų | 10 | 33.6 Ų | 33.6 | 5% | 0.051 | 19% | 0.192 | C | C | . | . | trans | -116.3 | 127.8 | 172.6 | -58 | -60.9 | 0 | 0 | 0 | 108.1 | T119 L139 L146 F147 L158 L163 L166 P167 | T119-I142 HydrophobicContact CG2-CD1 3.6Å; L139-I142 HydrophobicContact CD1-CD1 4.03Å; I142-L146 HydrophobicContact CG2-CB 4.28Å; I142-L146 HydrophobicContact CG2-CD2 3.48Å; I142-L146 VanDerWaalsContact CG2-CD2 3.48Å; I142-F147 HydrophobicContact CG2-CE1 4.25Å; I142-F147 HydrophobicContact CG2-CE2 3.95Å; I142-F147 HydrophobicContact CG2-CZ 3.7Å; I142-L158 HydrophobicContact CD1-CD1 4.31Å; I142-L158 HydrophobicContact CD1-CD2 4.14Å; I142-L158 HydrophobicContact CG1-CD1 4.13Å; I142-L163 HydrophobicContact CD1-CD1 4.32Å; I142-L163 HydrophobicContact CD1-CD2 4.06Å; I142-L163 HydrophobicContact CG1-CD1 4.05Å; I142-L163 HydrophobicContact CG1-CD2 3.84Å; I142-L166 HydrophobicContact CG1-CD2 4.11Å; I142-P167 HydrophobicContact CB-CG 4.33Å; I142-P167 HydrophobicContact CG2-CG 4.24Å | ||
| 143 | P | 92.8 | Very high | 92.6 | Very high | 55 Ų | 55 | 33.6 Ų | 33.6 | 36% | 0.357 | 19% | 0.192 | S | C | . | . | trans | -67.3 | 141.7 | 179.6 | 25.2 | -30.6 | 0 | 0 | 0 | 111.1 | T119 Q145 L146 | T119-P143 WeakPolarHBondContact OG1-CD 3.39Å; T119-P143 WeakPolarHBondContact OG1-CG 3.43Å; P143-Q145 VanDerWaalsContact C-N 3.27Å; P143-Q145 PolarHBondContact O-N 2.88Å; P143-L146 HydrophobicContact CG-CB 4.24Å; P143-L146 VanDerWaalsContact O-CB 3.26Å; P143-L146 WeakPolarHBondContact O-CB 3.4Å; P143-L146 PolarHBondContact O-N 3.38Å | ||
| 144 | S | 91 | Very high | 92.6 | Very high | 60 Ų | 60 | 36 Ų | 36 | 42% | 0.42 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -59.9 | -36.8 | -178 | 52.4 | 0 | 0 | 0 | 0 | 112.9 | L146 F147 V148 | S144-L146 PolarHBondContact O-N 3.24Å; S144-F147 PolarHBondContact O-N 3.07Å; S144-V148 WeakPolarHBondContact O-CG2 3.33Å; S144-V148 PolarHBondContact O-N 2.88Å |
| 145 | Q | 91 | Very high | 92.7 | Very high | 85 Ų | 85 | 39.2 Ų | 39.2 | 40% | 0.397 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61.8 | -26.7 | -179.3 | -163.3 | 62.6 | 34.7 | 0 | 0 | 113 | D124 P143 F147 V148 N149 | D124-Q145 HydrophobicContact CB-CB 4.48Å; D124-Q145 HydrophobicContact CB-CG 4.27Å; D124-Q145 WeakPolarHBondContact OD2-CG 3.38Å; P143-Q145 VanDerWaalsContact C-N 3.27Å; P143-Q145 PolarHBondContact O-N 2.88Å; Q145-F147 PolarHBondContact O-N 2.86Å; Q145-V148 WeakPolarHBondContact O-CB 3.48Å; Q145-V148 PolarHBondContact O-N 2.93Å; Q145-V148 VanDerWaalsContact O-N 3.1Å; Q145-N149 PolarHBondContact NE2-OD1 2.96Å; Q145-N149 PolarHBondContact O-N 3.46Å |
| 146 | L | 92.4 | Very high | 92.8 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -56.6 | -53.6 | -180 | -169.4 | 71.7 | 0 | 0 | 0 | 111.3 | L123 D124 L132 I142 P143 S144 V148 N149 M150 | L123-L146 HydrophobicContact CB-CD1 4.04Å; L123-L146 HydrophobicContact CD2-CD1 3.7Å; L123-L146 HydrophobicContact CD2-CD2 4.47Å; L123-L146 HydrophobicContact CG-CD1 3.64Å; D124-L146 HydrophobicContact CB-CD1 4.34Å; L132-L146 HydrophobicContact CD2-CD2 4.24Å; I142-L146 HydrophobicContact CG2-CB 4.28Å; I142-L146 HydrophobicContact CG2-CD2 3.48Å; I142-L146 VanDerWaalsContact CG2-CD2 3.48Å; P143-L146 HydrophobicContact CG-CB 4.24Å; P143-L146 VanDerWaalsContact O-CB 3.26Å; P143-L146 WeakPolarHBondContact O-CB 3.4Å; P143-L146 PolarHBondContact O-N 3.38Å; S144-L146 PolarHBondContact O-N 3.24Å; L146-V148 VanDerWaalsContact C-N 3.28Å; L146-V148 PolarHBondContact O-N 3.44Å; L146-N149 PolarHBondContact O-N 3.32Å; L146-M150 HydrophobicContact CD1-SD 3.34Å; L146-M150 WeakPolarHBondContact CD1-SD 3.33Å; L146-M150 HydrophobicContact CG-SD 3.67Å; L146-M150 WeakPolarHBondContact O-CB 3.42Å; L146-M150 VanDerWaalsContact O-CG 3.3Å; L146-M150 WeakPolarHBondContact O-CG 3.35Å; L146-M150 PolarHBondContact O-N 2.84Å |
| 147 | F | 92.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -80.6 | -8.4 | 178.8 | -54.1 | -33.9 | 0 | 0 | 0 | 113.4 | I142 S144 Q145 L156 L158 P167 Q169 I170 L173 | I142-F147 HydrophobicContact CG2-CE1 4.25Å; I142-F147 HydrophobicContact CG2-CE2 3.95Å; I142-F147 HydrophobicContact CG2-CZ 3.7Å; S144-F147 PolarHBondContact O-N 3.07Å; Q145-F147 PolarHBondContact O-N 2.86Å; F147-L156 HydrophobicContact CE1-CD2 3.81Å; F147-L156 HydrophobicContact CZ-CD2 3.94Å; F147-L158 HydrophobicContact CZ-CD1 4.29Å; F147-P167 HydrophobicContact CD2-CG 3.59Å; F147-P167 HydrophobicContact CE2-CG 3.63Å; F147-Q169 HydrophobicContact CB-CB 4.17Å; F147-I170 HydrophobicContact CD2-CB 3.74Å; F147-I170 HydrophobicContact CD2-CG1 4.02Å; F147-I170 HydrophobicContact CE2-CB 4Å; F147-I170 HydrophobicContact CE2-CD1 4.23Å; F147-I170 HydrophobicContact CE2-CG1 3.97Å; F147-L173 HydrophobicContact CB-CD2 4.39Å; F147-L173 HydrophobicContact CD1-CD1 4.1Å; F147-L173 HydrophobicContact CD1-CD2 4.48Å; F147-L173 HydrophobicContact CE1-CD1 4.39Å; F147-L173 HydrophobicContact CG-CD1 4.46Å |
| 148 | V | 90 | Very high | 93 | Very high | 37 Ų | 37 | 37.5 Ų | 37.5 | 22% | 0.224 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -74.2 | -38.9 | 169.1 | 172.7 | 0 | 0 | 0 | 0 | 110.1 | S144 Q145 L146 Q169 R172 | S144-V148 WeakPolarHBondContact O-CG2 3.33Å; S144-V148 PolarHBondContact O-N 2.88Å; Q145-V148 WeakPolarHBondContact O-CB 3.48Å; Q145-V148 PolarHBondContact O-N 2.93Å; Q145-V148 VanDerWaalsContact O-N 3.1Å; L146-V148 VanDerWaalsContact C-N 3.28Å; L146-V148 PolarHBondContact O-N 3.44Å; V148-Q169 HydrophobicContact CG2-CB 4.14Å; V148-Q169 HydrophobicContact CG2-CG 3.7Å; V148-R172 PolarHBondContact O-NH1 2.74Å; V148-R172 PolarHBondContact O-NH2 2.97Å |
| 149 | N | 90.1 | Very high | 93.2 | Very high | 35 Ų | 35 | 34.9 Ų | 34.9 | 19% | 0.187 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -94.4 | -34.7 | -174.8 | -68 | -6.8 | 0 | 0 | 0 | 113 | D124 R127 Q145 L146 A151 | D124-N149 WeakPolarHBondContact O-CB 3.38Å; D124-N149 PolarHBondContact O-ND2 3.14Å; D124-N149 PolarHBondContact OD2-ND2 2.91Å; R127-N149 HydrophobicContact CG-CB 4.3Å; Q145-N149 PolarHBondContact NE2-OD1 2.96Å; Q145-N149 PolarHBondContact O-N 3.46Å; L146-N149 PolarHBondContact O-N 3.32Å; N149-A151 VanDerWaalsContact C-N 3.33Å; N149-A151 PolarHBondContact O-N 3.08Å |
| 150 | M | 91.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -91.7 | 55.8 | -178.6 | -54.8 | 174.5 | 85.2 | 0 | 0 | 111.8 | A129 L132 L146 D152 L153 L173 | A129-M150 HydrophobicContact CB-CE 3.22Å; L132-M150 HydrophobicContact CB-CE 4.31Å; L132-M150 HydrophobicContact CD1-CE 4.45Å; L132-M150 HydrophobicContact CD2-CE 3.96Å; L132-M150 HydrophobicContact CD2-SD 4.16Å; L132-M150 HydrophobicContact CG-CE 4.46Å; L146-M150 HydrophobicContact CD1-SD 3.34Å; L146-M150 WeakPolarHBondContact CD1-SD 3.33Å; L146-M150 HydrophobicContact CG-SD 3.67Å; L146-M150 WeakPolarHBondContact O-CB 3.42Å; L146-M150 VanDerWaalsContact O-CG 3.3Å; L146-M150 WeakPolarHBondContact O-CG 3.35Å; L146-M150 PolarHBondContact O-N 2.84Å; M150-D152 VanDerWaalsContact C-N 3.29Å; M150-D152 PolarHBondContact O-N 3.46Å; M150-L153 HydrophobicContact CB-CD1 3.78Å; M150-L153 HydrophobicContact CB-CG 4Å; M150-L153 HydrophobicContact CE-CD1 4.35Å; M150-L153 HydrophobicContact CE-CD2 4.19Å; M150-L153 HydrophobicContact SD-CD1 4.43Å; M150-L173 WeakPolarHBondContact O-CD2 3.4Å | ||
| 151 | A | 88.3 | Confident | 93.4 | Very high | 21 Ų | 21 | 35.5 Ų | 35.5 | 17% | 0.174 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -25.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | N149 L153 | N149-A151 VanDerWaalsContact C-N 3.33Å; N149-A151 PolarHBondContact O-N 3.08Å; A151-L153 VanDerWaalsContact C-N 3.29Å; A151-L153 PolarHBondContact O-N 3.25Å |
| 152 | D | 92 | Very high | 93.4 | Very high | 92 Ų | 92 | 38.8 Ų | 38.8 | 49% | 0.492 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90 | 15.9 | -172.6 | -53.7 | -30.9 | 0 | 0 | 0 | 113.2 | M150 I154 | M150-D152 VanDerWaalsContact C-N 3.29Å; M150-D152 PolarHBondContact O-N 3.46Å; D152-I154 PolarHBondContact O-N 3.02Å |
| 153 | L | 94.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | -64.9 | 127.2 | 178.2 | -78.7 | 169.6 | 0 | 0 | 0 | 111.2 | A129 L132 M150 A151 L173 L176 | A129-L153 HydrophobicContact CB-CD2 4.46Å; A129-L153 WeakPolarHBondContact O-CD2 3.49Å; L132-L153 HydrophobicContact CB-CD2 3.79Å; M150-L153 HydrophobicContact CB-CD1 3.78Å; M150-L153 HydrophobicContact CB-CG 4Å; M150-L153 HydrophobicContact CE-CD1 4.35Å; M150-L153 HydrophobicContact CE-CD2 4.19Å; M150-L153 HydrophobicContact SD-CD1 4.43Å; A151-L153 VanDerWaalsContact C-N 3.29Å; A151-L153 PolarHBondContact O-N 3.25Å; L153-L173 HydrophobicContact CB-CD2 4.22Å; L153-L173 HydrophobicContact CD1-CD1 4.28Å; L153-L173 HydrophobicContact CD1-CD2 4.15Å; L153-L176 HydrophobicContact CB-CD1 4.13Å; L153-L176 VanDerWaalsContact O-CA 3.31Å; L153-L176 WeakPolarHBondContact O-CA 3.46Å; L153-L176 WeakPolarHBondContact O-CD1 3.23Å; L153-L176 PolarHBondContact O-N 3.07Å | ||
| 154 | I | 95.4 | Very high | 93.4 | Very high | 58 Ų | 58 | 38.9 Ų | 38.9 | 30% | 0.297 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -101.1 | -32.1 | 174.5 | -63 | 179 | 0 | 0 | 0 | 111 | I130 D152 Q177 V178 | I130-I154 HydrophobicContact CG2-CB 3.78Å; I130-I154 HydrophobicContact CG2-CD1 3.63Å; I130-I154 HydrophobicContact CG2-CG1 3.74Å; I130-I154 PolarHBondContact O-N 2.87Å; D152-I154 PolarHBondContact O-N 3.02Å; I154-Q177 HydrophobicContact CG2-CB 3.89Å; I154-Q177 HydrophobicContact CG2-CG 3.81Å; I154-Q177 PolarHBondContact O-N 3.37Å; I154-V178 PolarHBondContact O-N 3.33Å |
| 155 | Y | 97.1 | Very high | 93.3 | Very high | 69 Ų | 69 | 41.3 Ų | 41.3 | 27% | 0.271 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 122.4 | 179.8 | -177.2 | -76.4 | 0 | 0 | 0 | 110.8 | I130 V131 L132 N133 D157 V178 | I130-Y155 PolarHBondContact O-N 3.23Å; I130-Y155 VanDerWaalsContact O-N 3.13Å; V131-Y155 HydrophobicContact CG1-CD1 3.77Å; V131-Y155 HydrophobicContact CG1-CG 4.13Å; L132-Y155 PolarHBondContact N-O 3.4Å; N133-Y155 HydrophobicContact CB-CE1 4.42Å; Y155-D157 HydrophobicContact CD1-CB 4.48Å; Y155-D157 HydrophobicContact CE1-CB 3.56Å; Y155-D157 PolarHBondContact OH-OD2 2.84Å; Y155-V178 HydrophobicContact CD2-CB 3.6Å; Y155-V178 HydrophobicContact CD2-CG1 3.6Å; Y155-V178 HydrophobicContact CD2-CG2 4.02Å; Y155-V178 HydrophobicContact CE2-CB 4.1Å; Y155-V178 HydrophobicContact CE2-CG1 3.55Å; Y155-V178 HydrophobicContact CG-CB 4.28Å; Y155-V178 HydrophobicContact CG-CG1 4.44Å |
| 156 | L | 97 | Very high | 93.4 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 116.9 | 175.6 | -179.5 | 61 | 0 | 0 | 0 | 110.8 | L132 F147 L158 L173 L176 V178 L179 I180 | L132-L156 HydrophobicContact CB-CD1 4.12Å; L132-L156 HydrophobicContact CD2-CD1 3.92Å; L132-L156 HydrophobicContact CG-CD1 4.18Å; L132-L156 WeakPolarHBondContact O-CA 3.24Å; F147-L156 HydrophobicContact CE1-CD2 3.81Å; F147-L156 HydrophobicContact CZ-CD2 3.94Å; L156-L158 HydrophobicContact CD1-CD1 4.23Å; L156-L158 HydrophobicContact CD1-CD2 4.02Å; L156-L158 HydrophobicContact CD1-CG 3.89Å; L156-L158 HydrophobicContact CD2-CD1 4.17Å; L156-L158 HydrophobicContact CG-CD1 4.25Å; L156-L158 HydrophobicContact CG-CG 4.08Å; L156-L173 HydrophobicContact CD2-CD1 3.9Å; L156-L176 HydrophobicContact CB-CD1 3.83Å; L156-L176 HydrophobicContact CB-CD2 4.5Å; L156-V178 PolarHBondContact N-O 3.16Å; L156-L179 HydrophobicContact CB-CD1 4.32Å; L156-L179 HydrophobicContact CD2-CD1 4.03Å; L156-L179 HydrophobicContact CG-CD1 4.27Å; L156-I180 PolarHBondContact O-N 2.94Å |
| 157 | D | 96.7 | Very high | 93.3 | Very high | 13 Ų | 13 | 37.8 Ų | 37.8 | 7% | 0.07 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 113.4 | 174.2 | -172.1 | -5.2 | 0 | 0 | 0 | 110.8 | L132 N133 L134 S135 Y155 S159 I180 | L132-D157 PolarHBondContact O-N 2.68Å; N133-D157 HydrophobicContact CB-CB 4.47Å; L134-D157 PolarHBondContact N-O 3.23Å; S135-D157 WeakPolarHBondContact CB-OD1 3.36Å; S135-D157 PolarHBondContact N-O 3.1Å; Y155-D157 HydrophobicContact CD1-CB 4.48Å; Y155-D157 HydrophobicContact CE1-CB 3.56Å; Y155-D157 PolarHBondContact OH-OD2 2.84Å; D157-S159 VanDerWaalsContact OD1-CB 3.26Å; D157-S159 WeakPolarHBondContact OD1-CB 3.46Å; D157-S159 PolarHBondContact OD1-N 2.82Å; D157-S159 PolarHBondContact OD1-OG 3.15Å; D157-I180 HydrophobicContact CB-CB 4.2Å; D157-I180 HydrophobicContact CB-CD1 4.46Å |
| 158 | L | 96.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -119.3 | 17.8 | 178.1 | -59.9 | 176.1 | 0 | 0 | 0 | 111.2 | L134 I142 F147 L156 N161 L163 L166 I180 L181 N184 | L134-L158 HydrophobicContact CB-CD2 4.05Å; L134-L158 HydrophobicContact CD1-CD2 4.24Å; I142-L158 HydrophobicContact CD1-CD1 4.31Å; I142-L158 HydrophobicContact CD1-CD2 4.14Å; I142-L158 HydrophobicContact CG1-CD1 4.13Å; F147-L158 HydrophobicContact CZ-CD1 4.29Å; L156-L158 HydrophobicContact CD1-CD1 4.23Å; L156-L158 HydrophobicContact CD1-CD2 4.02Å; L156-L158 HydrophobicContact CD1-CG 3.89Å; L156-L158 HydrophobicContact CD2-CD1 4.17Å; L156-L158 HydrophobicContact CG-CD1 4.25Å; L156-L158 HydrophobicContact CG-CG 4.08Å; L158-N161 PolarHBondContact O-ND2 3.47Å; L158-L163 HydrophobicContact CB-CD1 3.9Å; L158-L163 HydrophobicContact CD1-CD1 4.07Å; L158-L166 HydrophobicContact CD1-CD2 3.82Å; L158-I180 PolarHBondContact N-O 3.5Å; L158-L181 HydrophobicContact CB-CD2 4.05Å; L158-L181 HydrophobicContact CD1-CD2 4.22Å; L158-N184 PolarHBondContact O-ND2 3.46Å | ||
| 159 | S | 96.1 | Very high | 93.3 | Very high | 7 Ų | 7 | 41.9 Ų | 41.9 | 5% | 0.049 | 21% | 0.209 | C | C | . | . | trans | -63.4 | 156.4 | -176 | 57.8 | 0 | 0 | 0 | 0 | 113.7 | S135 C136 D157 N161 I180 N182 | S135-S159 CarbonylContact C-O 3.17Å; S135-S159 WeakPolarHBondContact CA-O 3.32Å; S135-S159 WeakPolarHBondContact CB-O 3.46Å; S135-S159 WeakPolarHBondContact CB-OG 3.48Å; C136-S159 PolarHBondContact N-O 3.26Å; D157-S159 VanDerWaalsContact OD1-CB 3.26Å; D157-S159 WeakPolarHBondContact OD1-CB 3.46Å; D157-S159 PolarHBondContact OD1-N 2.82Å; D157-S159 PolarHBondContact OD1-OG 3.15Å; S159-N161 PolarHBondContact O-N 2.83Å; S159-N161 PolarHBondContact O-ND2 2.85Å; S159-I180 PolarHBondContact N-O 3.05Å; S159-N182 CarbonylContact C-O 3.29Å; S159-N182 WeakPolarHBondContact CA-O 3.38Å; S159-N182 WeakPolarHBondContact CB-O 3.48Å | ||
| 160 | Y | 95.5 | Very high | 93.4 | Very high | 118 Ų | 118 | 40.2 Ų | 40.2 | 46% | 0.463 | 20% | 0.2 | S | C | . | . | S | Bend | trans | 53.7 | 55.3 | 179.7 | -61.3 | -91.5 | 0 | 0 | 0 | 112.1 | C136 N137 N182 E183 | C136-Y160 WeakPolarHBondContact CA-O 3.4Å; C136-Y160 PolarHBondContact N-O 3.45Å; N137-Y160 PolarHBondContact N-O 2.6Å; N137-Y160 VanDerWaalsContact O-O 3.05Å; Y160-N182 PolarHBondContact N-O 3.07Å; Y160-E183 HydrophobicContact CD1-CB 3.8Å; Y160-E183 HydrophobicContact CD1-CG 3.83Å; Y160-E183 HydrophobicContact CE1-CB 4.08Å; Y160-E183 HydrophobicContact CE1-CG 3.55Å; Y160-E183 HydrophobicContact CE2-CG 4.49Å; Y160-E183 HydrophobicContact CG-CB 4.11Å; Y160-E183 HydrophobicContact CG-CG 4.42Å |
| 161 | N | 95.5 | Very high | 93.4 | Very high | 11 Ų | 11 | 47.9 Ų | 47.9 | 6% | 0.059 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -127 | -170.6 | 172.3 | -80.4 | -65.7 | 0 | 0 | 0 | 108.8 | L134 N137 L139 L158 S159 L163 E183 N184 | L134-N161 PolarHBondContact O-ND2 3.13Å; N137-N161 WeakPolarHBondContact CA-OD1 3.39Å; N137-N161 VanDerWaalsContact CB-OD1 3.26Å; N137-N161 WeakPolarHBondContact CB-OD1 3.44Å; N137-N161 PolarHBondContact N-OD1 2.95Å; N137-N161 PolarHBondContact O-OD1 3.28Å; L139-N161 HydrophobicContact CB-CB 4.06Å; L139-N161 WeakPolarHBondContact CB-OD1 3.31Å; L139-N161 VanDerWaalsContact CG-OD1 3.28Å; L139-N161 WeakPolarHBondContact CG-OD1 3.21Å; L139-N161 PolarHBondContact N-OD1 3.17Å; L158-N161 PolarHBondContact O-ND2 3.47Å; S159-N161 PolarHBondContact O-N 2.83Å; S159-N161 PolarHBondContact O-ND2 2.85Å; N161-L163 HydrophobicContact CB-CD1 4.34Å; N161-L163 HydrophobicContact CB-CG 4Å; N161-E183 PolarHBondContact N-O 3.37Å; N161-E183 VanDerWaalsContact O-O 3.1Å; N161-N184 WeakPolarHBondContact CA-OD1 3.41Å; N161-N184 WeakPolarHBondContact CB-OD1 3.38Å; N161-N184 PolarHBondContact N-OD1 3.15Å; N161-N184 PolarHBondContact O-OD1 3.13Å |
| 162 | R | 92.8 | Very high | 93.6 | Very high | 142 Ų | 142 | 52.4 Ų | 52.4 | 54% | 0.536 | 24% | 0.241 | S | C | . | . | trans | -110.7 | 28.9 | 179.5 | -61.5 | -179.9 | 178.9 | -175.5 | -1.6 | 112 | L139 E140 S164 | L139-R162 CarbonylContact O-C 3.57Å; L139-R162 VanDerWaalsContact O-C 3.3Å; L139-R162 VanDerWaalsContact O-CA 3.28Å; L139-R162 WeakPolarHBondContact O-CA 3.43Å; L139-R162 WeakPolarHBondContact O-CB 3.45Å; L139-R162 PolarHBondContact O-N 3.39Å; E140-R162 HydrophobicContact CG-CB 4.12Å; E140-R162 IonicContact OE1-NH1 3.76Å; R162-S164 PolarHBondContact O-N 2.93Å | ||
| 163 | L | 93.9 | Very high | 93.7 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | trans | -71.2 | 117.7 | -172.7 | -57.9 | 174.5 | 0 | 0 | 0 | 111.2 | L139 I142 L158 N161 L166 N184 P185 L186 | L139-L163 HydrophobicContact CB-CD2 4.09Å; L139-L163 PolarHBondContact O-N 2.64Å; I142-L163 HydrophobicContact CD1-CD1 4.32Å; I142-L163 HydrophobicContact CD1-CD2 4.06Å; I142-L163 HydrophobicContact CG1-CD1 4.05Å; I142-L163 HydrophobicContact CG1-CD2 3.84Å; L158-L163 HydrophobicContact CB-CD1 3.9Å; L158-L163 HydrophobicContact CD1-CD1 4.07Å; N161-L163 HydrophobicContact CB-CD1 4.34Å; N161-L163 HydrophobicContact CB-CG 4Å; L163-L166 HydrophobicContact CD1-CD2 3.93Å; L163-N184 HydrophobicContact CB-CB 4.21Å; L163-N184 VanDerWaalsContact CB-OD1 3.31Å; L163-N184 WeakPolarHBondContact CB-OD1 3.47Å; L163-N184 WeakPolarHBondContact CG-OD1 3.4Å; L163-N184 PolarHBondContact N-OD1 2.86Å; L163-N184 VanDerWaalsContact N-OD1 3.07Å; L163-P185 CarbonylContact O-C 3.55Å; L163-P185 WeakPolarHBondContact O-CD 3.37Å; L163-P185 WeakPolarHBondContact O-CG 3.15Å; L163-L186 HydrophobicContact CB-CD2 4.26Å; L163-L186 WeakPolarHBondContact O-CD2 3.4Å | ||
| 164 | S | 90.6 | Very high | 93.5 | Very high | 67 Ų | 67 | 50.1 Ų | 50.1 | 47% | 0.469 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -84.8 | -26.8 | 174.5 | 59.8 | 0 | 0 | 0 | 0 | 113.1 | R162 P185 L186 | R162-S164 PolarHBondContact O-N 2.93Å; S164-P185 WeakPolarHBondContact CA-O 3.44Å; S164-L186 WeakPolarHBondContact O-CA 3.19Å |
| 165 | M | 90.6 | Very high | 93.4 | Very high | 110 Ų | 110 | 50.7 Ų | 50.7 | 54% | 0.542 | 24% | 0.239 | S | C | . | . | trans | -153.2 | 160.3 | 176.7 | 61.6 | -175.5 | -64.9 | 0 | 0 | 110.9 | ||||
| 166 | L | 92 | Very high | 93.3 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | trans | -111.2 | 146.6 | 167.8 | -63.5 | 168.4 | 0 | 0 | 0 | 109.3 | I142 L158 L163 I170 L181 L186 F189 | I142-L166 HydrophobicContact CG1-CD2 4.11Å; L158-L166 HydrophobicContact CD1-CD2 3.82Å; L163-L166 HydrophobicContact CD1-CD2 3.93Å; L166-I170 HydrophobicContact CD1-CD1 3.87Å; L166-L181 HydrophobicContact CD1-CD1 3.6Å; L166-L181 HydrophobicContact CD1-CD2 3.69Å; L166-L181 HydrophobicContact CD1-CG 4.3Å; L166-L186 HydrophobicContact CG-CD2 4.26Å; L166-F189 HydrophobicContact CB-CD1 4.27Å; L166-F189 HydrophobicContact CB-CE1 3.67Å; L166-F189 HydrophobicContact CB-CZ 3.92Å; L166-F189 HydrophobicContact CD1-CE1 4.13Å; L166-F189 HydrophobicContact CG-CE1 4.26Å; L166-F189 WeakPolarHBondContact O-CE2 3.46Å; L166-F189 WeakPolarHBondContact O-CZ 3.5Å | ||
| 167 | P | 91.4 | Very high | 93.3 | Very high | 12 Ų | 12 | 50.7 Ų | 50.7 | 8% | 0.078 | 24% | 0.241 | C | C | . | . | trans | -62.8 | 139.7 | 177.9 | 18.8 | -27.1 | 0 | 0 | 0 | 111.3 | I142 F147 Q169 I170 | I142-P167 HydrophobicContact CB-CG 4.33Å; I142-P167 HydrophobicContact CG2-CG 4.24Å; F147-P167 HydrophobicContact CD2-CG 3.59Å; F147-P167 HydrophobicContact CE2-CG 3.63Å; P167-Q169 PolarHBondContact O-N 2.78Å; P167-I170 WeakPolarHBondContact O-CB 3.45Å; P167-I170 WeakPolarHBondContact O-CG2 3.32Å; P167-I170 PolarHBondContact O-N 3.26Å | ||
| 168 | P | 89.7 | Confident | 93.3 | Very high | 62 Ų | 62 | 51.4 Ų | 51.4 | 40% | 0.403 | 25% | 0.246 | S | C | . | . | G | 310 helix | trans | -61.8 | -15.6 | -178.1 | 24.8 | -34.2 | 0 | 0 | 0 | 113.5 | I170 R171 Q193 | P168-I170 PolarHBondContact O-N 2.95Å; P168-R171 WeakPolarHBondContact O-CG 3.4Å; P168-R171 PolarHBondContact O-N 3.14Å; P168-Q193 WeakPolarHBondContact O-CG 3.17Å |
| 169 | Q | 91.9 | Very high | 93.3 | Very high | 62 Ų | 62 | 51.4 Ų | 51.4 | 29% | 0.29 | 25% | 0.246 | S | C | . | . | G | 310 helix | trans | -63.9 | -14 | 173.2 | -67.6 | 76.6 | 9.1 | 0 | 0 | 113.2 | F147 V148 P167 R171 R172 | F147-Q169 HydrophobicContact CB-CB 4.17Å; V148-Q169 HydrophobicContact CG2-CB 4.14Å; V148-Q169 HydrophobicContact CG2-CG 3.7Å; P167-Q169 PolarHBondContact O-N 2.78Å; Q169-R171 PolarHBondContact O-N 3.15Å; Q169-R172 VanDerWaalsContact O-CB 3.31Å; Q169-R172 WeakPolarHBondContact O-CB 3.37Å; Q169-R172 WeakPolarHBondContact O-CG 3.21Å; Q169-R172 PolarHBondContact O-N 2.86Å |
| 170 | I | 93 | Very high | 93.3 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -54.2 | -23.4 | 172.2 | -157.9 | 178.1 | 0 | 0 | 0 | 112.9 | F147 L166 P167 P168 R172 L173 Q193 M197 | F147-I170 HydrophobicContact CD2-CB 3.74Å; F147-I170 HydrophobicContact CD2-CG1 4.02Å; F147-I170 HydrophobicContact CE2-CB 4Å; F147-I170 HydrophobicContact CE2-CD1 4.23Å; F147-I170 HydrophobicContact CE2-CG1 3.97Å; L166-I170 HydrophobicContact CD1-CD1 3.87Å; P167-I170 WeakPolarHBondContact O-CB 3.45Å; P167-I170 WeakPolarHBondContact O-CG2 3.32Å; P167-I170 PolarHBondContact O-N 3.26Å; P168-I170 PolarHBondContact O-N 2.95Å; I170-R172 PolarHBondContact O-N 2.92Å; I170-L173 HydrophobicContact CG1-CD1 3.81Å; I170-L173 HydrophobicContact CG1-CG 4.37Å; I170-L173 WeakPolarHBondContact O-CB 3.44Å; I170-L173 WeakPolarHBondContact O-CG 3.41Å; I170-L173 PolarHBondContact O-N 3.3Å; I170-L173 VanDerWaalsContact O-N 3.13Å; I170-Q193 HydrophobicContact CG2-CB 3.9Å; I170-Q193 HydrophobicContact CG2-CG 4.22Å; I170-M197 HydrophobicContact CB-CE 4.41Å; I170-M197 HydrophobicContact CD1-CE 4.1Å; I170-M197 HydrophobicContact CG1-CE 3.68Å; I170-M197 HydrophobicContact CG2-CE 4.29Å; I170-M197 VanDerWaalsContact O-CE 3.25Å; I170-M197 WeakPolarHBondContact O-CE 3.16Å |
| 171 | R | 91.4 | Very high | 93.3 | Very high | 161 Ų | 161 | 46.4 Ų | 46.4 | 61% | 0.608 | 23% | 0.226 | S | C | * | . | G | 310 helix | trans | -56.6 | -19.4 | 171.8 | 72.6 | 179.7 | -120.8 | -171.7 | -1.2 | 114.4 | P168 Q169 L173 Q193 C196 | P168-R171 WeakPolarHBondContact O-CG 3.4Å; P168-R171 PolarHBondContact O-N 3.14Å; Q169-R171 PolarHBondContact O-N 3.15Å; R171-L173 VanDerWaalsContact C-N 3.3Å; R171-Q193 HydrophobicContact CB-CB 3.81Å; R171-Q193 HydrophobicContact CB-CG 3.85Å; R171-C196 HydrophobicContact CB-CB 4.43Å |
| 172 | R | 92.5 | Very high | 93.3 | Very high | 115 Ų | 115 | 46.7 Ų | 46.7 | 43% | 0.434 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -77.4 | -16.4 | -179.3 | -68.6 | -168 | 64.4 | -169 | -13.7 | 113.1 | V148 Q169 I170 A174 | V148-R172 PolarHBondContact O-NH1 2.74Å; V148-R172 PolarHBondContact O-NH2 2.97Å; Q169-R172 VanDerWaalsContact O-CB 3.31Å; Q169-R172 WeakPolarHBondContact O-CB 3.37Å; Q169-R172 WeakPolarHBondContact O-CG 3.21Å; Q169-R172 PolarHBondContact O-N 2.86Å; I170-R172 PolarHBondContact O-N 2.92Å; R172-A174 PolarHBondContact O-N 3.47Å |
| 173 | L | 93.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | -77.4 | 62.8 | 178.2 | -48 | -175.2 | 0 | 0 | 0 | 109.8 | F147 M150 L153 L156 I170 R171 D175 L176 | F147-L173 HydrophobicContact CB-CD2 4.39Å; F147-L173 HydrophobicContact CD1-CD1 4.1Å; F147-L173 HydrophobicContact CD1-CD2 4.48Å; F147-L173 HydrophobicContact CE1-CD1 4.39Å; F147-L173 HydrophobicContact CG-CD1 4.46Å; M150-L173 WeakPolarHBondContact O-CD2 3.4Å; L153-L173 HydrophobicContact CB-CD2 4.22Å; L153-L173 HydrophobicContact CD1-CD1 4.28Å; L153-L173 HydrophobicContact CD1-CD2 4.15Å; L156-L173 HydrophobicContact CD2-CD1 3.9Å; I170-L173 HydrophobicContact CG1-CD1 3.81Å; I170-L173 HydrophobicContact CG1-CG 4.37Å; I170-L173 WeakPolarHBondContact O-CB 3.44Å; I170-L173 WeakPolarHBondContact O-CG 3.41Å; I170-L173 PolarHBondContact O-N 3.3Å; I170-L173 VanDerWaalsContact O-N 3.13Å; R171-L173 VanDerWaalsContact C-N 3.3Å; L173-D175 VanDerWaalsContact C-N 3.26Å; L173-D175 PolarHBondContact O-N 2.85Å; L173-L176 HydrophobicContact CB-CB 3.99Å; L173-L176 HydrophobicContact CB-CD2 4.41Å; L173-L176 HydrophobicContact CD1-CD1 4.42Å; L173-L176 HydrophobicContact CD1-CD2 4.27Å; L173-L176 VanDerWaalsContact O-CB 3.29Å; L173-L176 WeakPolarHBondContact O-CB 3.49Å; L173-L176 PolarHBondContact O-N 3.08Å | ||
| 174 | A | 90.5 | Very high | 93.4 | Very high | 44 Ų | 44 | 42.5 Ų | 42.5 | 36% | 0.364 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -31 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | R172 L176 | R172-A174 PolarHBondContact O-N 3.47Å; A174-L176 VanDerWaalsContact C-N 3.33Å |
| 175 | D | 93 | Very high | 93.5 | Very high | 70 Ų | 70 | 42.3 Ų | 42.3 | 37% | 0.374 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 6 | -178.4 | -60.8 | -37.7 | 0 | 0 | 0 | 113.6 | L173 Q177 | L173-D175 VanDerWaalsContact C-N 3.26Å; L173-D175 PolarHBondContact O-N 2.85Å; D175-Q177 PolarHBondContact O-N 2.58Å |
| 176 | L | 96 | Very high | 93.5 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -65 | 121.7 | -177.6 | -163.8 | 74.4 | 0 | 0 | 0 | 111 | L153 L156 L173 A174 L179 M197 F199 L200 | L153-L176 HydrophobicContact CB-CD1 4.13Å; L153-L176 VanDerWaalsContact O-CA 3.31Å; L153-L176 WeakPolarHBondContact O-CA 3.46Å; L153-L176 WeakPolarHBondContact O-CD1 3.23Å; L153-L176 PolarHBondContact O-N 3.07Å; L156-L176 HydrophobicContact CB-CD1 3.83Å; L156-L176 HydrophobicContact CB-CD2 4.5Å; L173-L176 HydrophobicContact CB-CB 3.99Å; L173-L176 HydrophobicContact CB-CD2 4.41Å; L173-L176 HydrophobicContact CD1-CD1 4.42Å; L173-L176 HydrophobicContact CD1-CD2 4.27Å; L173-L176 VanDerWaalsContact O-CB 3.29Å; L173-L176 WeakPolarHBondContact O-CB 3.49Å; L173-L176 PolarHBondContact O-N 3.08Å; A174-L176 VanDerWaalsContact C-N 3.33Å; L176-L179 HydrophobicContact CD2-CB 3.83Å; L176-L179 HydrophobicContact CD2-CD1 4.06Å; L176-L179 HydrophobicContact CD2-CD2 4.32Å; L176-L179 HydrophobicContact CD2-CG 4.28Å; L176-M197 HydrophobicContact CD2-CE 4.27Å; L176-M197 HydrophobicContact CD2-SD 3.87Å; L176-F199 CarbonylContact O-C 3.34Å; L176-L200 HydrophobicContact CD2-CD1 4.27Å; L176-L200 HydrophobicContact CG-CD1 4.29Å; L176-L200 VanDerWaalsContact O-CA 3.31Å; L176-L200 WeakPolarHBondContact O-CA 3.26Å; L176-L200 PolarHBondContact O-N 2.83Å | ||
| 177 | Q | 95.7 | Very high | 93.1 | Very high | 70 Ų | 70 | 39.7 Ų | 39.7 | 33% | 0.327 | 20% | 0.204 | S | C | . | . | trans | -101.2 | -31.8 | 178.3 | -66.2 | -180 | 27.8 | 0 | 0 | 112.4 | I154 D175 F199 R201 V202 | I154-Q177 HydrophobicContact CG2-CB 3.89Å; I154-Q177 HydrophobicContact CG2-CG 3.81Å; I154-Q177 PolarHBondContact O-N 3.37Å; D175-Q177 PolarHBondContact O-N 2.58Å; Q177-F199 HydrophobicContact CG-CB 4.28Å; Q177-R201 PolarHBondContact O-N 3.04Å; Q177-V202 PolarHBondContact O-N 3.31Å | ||
| 178 | V | 97.4 | Very high | 92.7 | Very high | 27 Ų | 27 | 47.8 Ų | 47.8 | 16% | 0.164 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 119.4 | -177.1 | 179.6 | 0 | 0 | 0 | 0 | 110.1 | I154 Y155 L156 I180 V202 | I154-V178 PolarHBondContact O-N 3.33Å; Y155-V178 HydrophobicContact CD2-CB 3.6Å; Y155-V178 HydrophobicContact CD2-CG1 3.6Å; Y155-V178 HydrophobicContact CD2-CG2 4.02Å; Y155-V178 HydrophobicContact CE2-CB 4.1Å; Y155-V178 HydrophobicContact CE2-CG1 3.55Å; Y155-V178 HydrophobicContact CG-CB 4.28Å; Y155-V178 HydrophobicContact CG-CG1 4.44Å; L156-V178 PolarHBondContact N-O 3.16Å; V178-I180 HydrophobicContact CG1-CD1 3.97Å; V178-I180 HydrophobicContact CG1-CG1 3.85Å; V178-V202 HydrophobicContact CB-CB 4.37Å; V178-V202 HydrophobicContact CG1-CB 4.07Å; V178-V202 HydrophobicContact CG1-CG1 4.26Å; V178-V202 HydrophobicContact CG2-CB 4.13Å; V178-V202 HydrophobicContact CG2-CG2 4.09Å |
| 179 | L | 96.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 114.6 | 175.3 | -179.4 | 58.1 | 0 | 0 | 0 | 110.3 | L156 L176 L181 L194 M197 L200 V202 L203 H204 | L156-L179 HydrophobicContact CB-CD1 4.32Å; L156-L179 HydrophobicContact CD2-CD1 4.03Å; L156-L179 HydrophobicContact CG-CD1 4.27Å; L176-L179 HydrophobicContact CD2-CB 3.83Å; L176-L179 HydrophobicContact CD2-CD1 4.06Å; L176-L179 HydrophobicContact CD2-CD2 4.32Å; L176-L179 HydrophobicContact CD2-CG 4.28Å; L179-L181 HydrophobicContact CD1-CD1 4.18Å; L179-L181 HydrophobicContact CD1-CD2 3.89Å; L179-L181 HydrophobicContact CD1-CG 3.89Å; L179-L181 HydrophobicContact CD2-CD1 4.1Å; L179-L181 HydrophobicContact CG-CD1 4.08Å; L179-L181 HydrophobicContact CG-CG 4.01Å; L179-L194 HydrophobicContact CD2-CD2 3.73Å; L179-M197 HydrophobicContact CD2-SD 4.17Å; L179-L200 HydrophobicContact CB-CD1 3.8Å; L179-V202 PolarHBondContact N-O 2.96Å; L179-L203 HydrophobicContact CB-CD1 4.38Å; L179-L203 HydrophobicContact CD2-CD1 4.09Å; L179-L203 HydrophobicContact CG-CD1 4.32Å; L179-H204 PolarHBondContact O-N 3.26Å |
| 180 | I | 96.6 | Very high | 92 | Very high | 19 Ų | 19 | 47 Ų | 47 | 10% | 0.097 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 115.8 | -179.4 | -51.4 | 178.1 | 0 | 0 | 0 | 109.3 | L156 D157 L158 S159 V178 H204 | L156-I180 PolarHBondContact O-N 2.94Å; D157-I180 HydrophobicContact CB-CB 4.2Å; D157-I180 HydrophobicContact CB-CD1 4.46Å; L158-I180 PolarHBondContact N-O 3.5Å; S159-I180 PolarHBondContact N-O 3.05Å; V178-I180 HydrophobicContact CG1-CD1 3.97Å; V178-I180 HydrophobicContact CG1-CG1 3.85Å; I180-H204 HydrophobicContact CB-CB 4.4Å; I180-H204 HydrophobicContact CG1-CB 4.37Å; I180-H204 HydrophobicContact CG2-CB 3.95Å |
| 181 | L | 95.4 | Very high | 91.5 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | trans | -125.5 | 13 | -175 | -61.9 | 178 | 0 | 0 | 0 | 113 | L158 L166 L179 N184 L186 H204 T208 | L158-L181 HydrophobicContact CB-CD2 4.05Å; L158-L181 HydrophobicContact CD1-CD2 4.22Å; L166-L181 HydrophobicContact CD1-CD1 3.6Å; L166-L181 HydrophobicContact CD1-CD2 3.69Å; L166-L181 HydrophobicContact CD1-CG 4.3Å; L179-L181 HydrophobicContact CD1-CD1 4.18Å; L179-L181 HydrophobicContact CD1-CD2 3.89Å; L179-L181 HydrophobicContact CD1-CG 3.89Å; L179-L181 HydrophobicContact CD2-CD1 4.1Å; L179-L181 HydrophobicContact CG-CD1 4.08Å; L179-L181 HydrophobicContact CG-CG 4.01Å; L181-N184 PolarHBondContact O-ND2 2.9Å; L181-L186 HydrophobicContact CB-CD1 4.15Å; L181-L186 HydrophobicContact CD1-CD1 4.14Å; L181-H204 PolarHBondContact N-O 2.91Å; L181-T208 VanDerWaalsContact O-CG2 3.26Å; L181-T208 WeakPolarHBondContact O-CG2 3.44Å | ||
| 182 | N | 95.5 | Very high | 91.2 | Very high | 17 Ų | 17 | 46.3 Ų | 46.3 | 9% | 0.091 | 23% | 0.232 | C | C | . | . | trans | -49.7 | 145.6 | -176.5 | -62.6 | -27.3 | 0 | 0 | 0 | 112.8 | S159 Y160 N184 H204 M205 R206 | S159-N182 CarbonylContact C-O 3.29Å; S159-N182 WeakPolarHBondContact CA-O 3.38Å; S159-N182 WeakPolarHBondContact CB-O 3.48Å; Y160-N182 PolarHBondContact N-O 3.07Å; N182-N184 PolarHBondContact O-N 2.77Å; N182-N184 PolarHBondContact O-ND2 2.91Å; N182-H204 VanDerWaalsContact OD1-CB 3.31Å; N182-H204 WeakPolarHBondContact OD1-CB 3.33Å; N182-H204 PolarHBondContact OD1-O 3.41Å; N182-M205 PolarHBondContact OD1-N 2.91Å; N182-R206 CarbonylContact C-O 3.58Å; N182-R206 VanDerWaalsContact CA-O 3.3Å; N182-R206 WeakPolarHBondContact CA-O 3.11Å; N182-R206 HydrophobicContact CB-CB 4.08Å; N182-R206 VanDerWaalsContact OD1-CB 3.3Å; N182-R206 WeakPolarHBondContact OD1-CB 3.36Å; N182-R206 PolarHBondContact OD1-N 2.82Å | ||
| 183 | E | 94.6 | Very high | 90.9 | Very high | 54 Ų | 54 | 42.7 Ų | 42.7 | 25% | 0.252 | 22% | 0.22 | S | C | . | . | S | Bend | trans | 55.9 | 53.8 | 173 | -58 | -77.4 | 172.3 | 0 | 0 | 111.8 | Y160 N161 R206 N207 | Y160-E183 HydrophobicContact CD1-CB 3.8Å; Y160-E183 HydrophobicContact CD1-CG 3.83Å; Y160-E183 HydrophobicContact CE1-CB 4.08Å; Y160-E183 HydrophobicContact CE1-CG 3.55Å; Y160-E183 HydrophobicContact CE2-CG 4.49Å; Y160-E183 HydrophobicContact CG-CB 4.11Å; Y160-E183 HydrophobicContact CG-CG 4.42Å; N161-E183 PolarHBondContact N-O 3.37Å; N161-E183 VanDerWaalsContact O-O 3.1Å; E183-R206 PolarHBondContact N-O 2.86Å; E183-R206 IonicContact OE1-NE 3.52Å; E183-N207 PolarHBondContact OE2-ND2 2.82Å |
| 184 | N | 94.4 | Very high | 90.6 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | trans | -134.1 | 134.1 | 172 | -80 | -74.8 | 0 | 0 | 0 | 109.3 | L158 N161 L163 L181 N182 L186 T208 | L158-N184 PolarHBondContact O-ND2 3.46Å; N161-N184 WeakPolarHBondContact CA-OD1 3.41Å; N161-N184 WeakPolarHBondContact CB-OD1 3.38Å; N161-N184 PolarHBondContact N-OD1 3.15Å; N161-N184 PolarHBondContact O-OD1 3.13Å; L163-N184 HydrophobicContact CB-CB 4.21Å; L163-N184 VanDerWaalsContact CB-OD1 3.31Å; L163-N184 WeakPolarHBondContact CB-OD1 3.47Å; L163-N184 WeakPolarHBondContact CG-OD1 3.4Å; L163-N184 PolarHBondContact N-OD1 2.86Å; L163-N184 VanDerWaalsContact N-OD1 3.07Å; L181-N184 PolarHBondContact O-ND2 2.9Å; N182-N184 PolarHBondContact O-N 2.77Å; N182-N184 PolarHBondContact O-ND2 2.91Å; N184-L186 HydrophobicContact CB-CD1 4.21Å; N184-L186 HydrophobicContact CB-CG 3.93Å; N184-L186 PolarHBondContact O-N 2.82Å; N184-T208 VanDerWaalsContact O-CA 3.25Å; N184-T208 WeakPolarHBondContact O-CA 3.33Å | ||
| 185 | P | 91.6 | Very high | 90.5 | Very high | 63 Ų | 63 | 42.2 Ų | 42.2 | 41% | 0.409 | 21% | 0.213 | S | C | . | . | trans | -74.3 | 55.2 | -176.7 | 33.5 | -38.6 | 0 | 0 | 0 | 113.5 | L163 S164 C187 | L163-P185 CarbonylContact O-C 3.55Å; L163-P185 WeakPolarHBondContact O-CD 3.37Å; L163-P185 WeakPolarHBondContact O-CG 3.15Å; S164-P185 WeakPolarHBondContact CA-O 3.44Å; P185-C187 PolarHBondContact O-N 3.31Å | ||
| 186 | L | 90.4 | Very high | 90.2 | Very high | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | trans | -72.9 | 25.7 | -174 | -66.9 | 172 | 0 | 0 | 0 | 114.3 | L163 S164 L166 L181 N184 H188 F189 T208 R210 | L163-L186 HydrophobicContact CB-CD2 4.26Å; L163-L186 WeakPolarHBondContact O-CD2 3.4Å; S164-L186 WeakPolarHBondContact O-CA 3.19Å; L166-L186 HydrophobicContact CG-CD2 4.26Å; L181-L186 HydrophobicContact CB-CD1 4.15Å; L181-L186 HydrophobicContact CD1-CD1 4.14Å; N184-L186 HydrophobicContact CB-CD1 4.21Å; N184-L186 HydrophobicContact CB-CG 3.93Å; N184-L186 PolarHBondContact O-N 2.82Å; L186-H188 PolarHBondContact O-N 3.15Å; L186-F189 HydrophobicContact CB-CB 4.45Å; L186-F189 PolarHBondContact O-N 3.43Å; L186-T208 HydrophobicContact CD1-CG2 4.2Å; L186-R210 VanDerWaalsContact C-NH2 3.27Å; L186-R210 PolarHBondContact O-NH2 2.76Å | ||
| 187 | C | 84.9 | Confident | 90 | Very high | 54 Ų | 54 | 41.9 Ų | 41.9 | 37% | 0.365 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -30.2 | -161.7 | -50.1 | 0 | 0 | 0 | 0 | 114.7 | P185 C209 N214 | P185-C187 PolarHBondContact O-N 3.31Å; C187-C209 WeakPolarHBondContact CA-SG 3.32Å; C187-C209 HydrophobicContact CB-CB 3.75Å; C187-C209 WeakPolarHBondContact CB-SG 3.5Å; C187-C209 PolarHBondContact N-SG 3.35Å; C187-C209 VanDerWaalsContact N-SG 3.39Å; C187-C209 WeakPolarHBondContact SG-CB 3.27Å; C187-C209 CovalentContact SG-SG 2.05Å; C187-C209 PolarHBondContact SG-SG 3.2Å; C187-N214 PolarHBondContact O-ND2 3.31Å |
| 188 | H | 82.2 | Confident | 89.6 | Confident | 181 Ų | 181 | 41.7 Ų | 41.7 | 84% | 0.838 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.7 | -8.1 | -177.7 | -59.1 | -5.2 | 0 | 0 | 0 | 113.7 | L186 | L186-H188 PolarHBondContact O-N 3.15Š|
| 189 | F | 84 | Confident | 89.4 | Confident | 20 Ų | 20 | 45.1 Ų | 45.1 | 9% | 0.088 | 23% | 0.232 | C | C | . | . | trans | -89.7 | 116.3 | -176 | -167.2 | -124.5 | 0 | 0 | 0 | 111 | L166 L186 L191 R210 | L166-F189 HydrophobicContact CB-CD1 4.27Å; L166-F189 HydrophobicContact CB-CE1 3.67Å; L166-F189 HydrophobicContact CB-CZ 3.92Å; L166-F189 HydrophobicContact CD1-CE1 4.13Å; L166-F189 HydrophobicContact CG-CE1 4.26Å; L166-F189 WeakPolarHBondContact O-CE2 3.46Å; L166-F189 WeakPolarHBondContact O-CZ 3.5Å; L186-F189 HydrophobicContact CB-CB 4.45Å; L186-F189 PolarHBondContact O-N 3.43Å; F189-L191 HydrophobicContact CD1-CD1 4.44Å; F189-L191 HydrophobicContact CD1-CD2 3.84Å; F189-L191 HydrophobicContact CD1-CG 3.57Å; F189-L191 HydrophobicContact CE1-CB 4.44Å; F189-L191 HydrophobicContact CE1-CD2 3.27Å; F189-L191 HydrophobicContact CE1-CG 3.52Å; F189-L191 HydrophobicContact CZ-CD2 4.21Å; F189-R210 PolarHBondContact O-NH1 3.03Å | ||
| 190 | Q | 81.8 | Confident | 89.4 | Confident | 87 Ų | 87 | 45.1 Ų | 45.1 | 41% | 0.407 | 23% | 0.232 | S | C | . | . | trans | -87.7 | -5.8 | -176 | -67 | -177 | -37.4 | 0 | 0 | 114.5 | K192 | Q190-K192 HydrophobicContact CB-CG 4.25Å; Q190-K192 PolarHBondContact O-N 3.18Å; Q190-K192 VanDerWaalsContact O-N 3.15Å | ||
| 191 | L | 83.7 | Confident | 89.3 | Confident | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | trans | 53.8 | 35.1 | 177.1 | -81.2 | 162.3 | 0 | 0 | 0 | 114.9 | F189 Q193 L194 M205 P216 | F189-L191 HydrophobicContact CD1-CD1 4.44Å; F189-L191 HydrophobicContact CD1-CD2 3.84Å; F189-L191 HydrophobicContact CD1-CG 3.57Å; F189-L191 HydrophobicContact CE1-CB 4.44Å; F189-L191 HydrophobicContact CE1-CD2 3.27Å; F189-L191 HydrophobicContact CE1-CG 3.52Å; F189-L191 HydrophobicContact CZ-CD2 4.21Å; L191-Q193 PolarHBondContact O-N 3.25Å; L191-L194 HydrophobicContact CB-CD1 3.9Å; L191-L194 HydrophobicContact CB-CG 4.02Å; L191-L194 HydrophobicContact CD1-CD1 4.26Å; L191-L194 HydrophobicContact CD2-CD1 4.33Å; L191-L194 HydrophobicContact CD2-CD2 4.2Å; L191-L194 HydrophobicContact CD2-CG 4.01Å; L191-L194 HydrophobicContact CG-CD1 4.41Å; L191-L194 PolarHBondContact O-N 3.47Å; L191-M205 HydrophobicContact CD1-CE 4.11Å; L191-M205 HydrophobicContact CD1-SD 3.21Å; L191-M205 WeakPolarHBondContact CD1-SD 3.45Å; L191-P216 HydrophobicContact CB-CG 4.05Å | ||
| 192 | K | 84.2 | Confident | 89.4 | Confident | 146 Ų | 146 | 50.5 Ų | 50.5 | 64% | 0.635 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -11.9 | 176 | -69 | -179.1 | 174.9 | 165.6 | 0 | 113.9 | Q190 P195 | Q190-K192 HydrophobicContact CB-CG 4.25Å; Q190-K192 PolarHBondContact O-N 3.18Å; Q190-K192 VanDerWaalsContact O-N 3.15Å; K192-P195 WeakPolarHBondContact O-CD 3.5Å |
| 193 | Q | 86.8 | Confident | 89.4 | Confident | 39 Ų | 39 | 49.7 Ų | 49.7 | 18% | 0.182 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -18 | 179.9 | -65.5 | 77.2 | 13.7 | 0 | 0 | 113.9 | P168 I170 R171 L191 C196 | P168-Q193 WeakPolarHBondContact O-CG 3.17Å; I170-Q193 HydrophobicContact CG2-CB 3.9Å; I170-Q193 HydrophobicContact CG2-CG 4.22Å; R171-Q193 HydrophobicContact CB-CB 3.81Å; R171-Q193 HydrophobicContact CB-CG 3.85Å; L191-Q193 PolarHBondContact O-N 3.25Å; Q193-C196 WeakPolarHBondContact O-CB 3.29Å; Q193-C196 PolarHBondContact O-N 2.91Å |
| 194 | L | 87.3 | Confident | 89.5 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -56.8 | -36.6 | -177.8 | -74.9 | 178.5 | 0 | 0 | 0 | 115 | L179 L191 C196 M197 L200 L203 P216 L219 | L179-L194 HydrophobicContact CD2-CD2 3.73Å; L191-L194 HydrophobicContact CB-CD1 3.9Å; L191-L194 HydrophobicContact CB-CG 4.02Å; L191-L194 HydrophobicContact CD1-CD1 4.26Å; L191-L194 HydrophobicContact CD2-CD1 4.33Å; L191-L194 HydrophobicContact CD2-CD2 4.2Å; L191-L194 HydrophobicContact CD2-CG 4.01Å; L191-L194 HydrophobicContact CG-CD1 4.41Å; L191-L194 PolarHBondContact O-N 3.47Å; L194-C196 PolarHBondContact O-N 3.04Å; L194-M197 HydrophobicContact CD2-CE 4.31Å; L194-M197 HydrophobicContact CD2-SD 3.63Å; L194-M197 WeakPolarHBondContact O-CB 3.21Å; L194-M197 PolarHBondContact O-N 3.38Å; L194-L200 HydrophobicContact CD2-CD2 4.44Å; L194-L203 HydrophobicContact CD1-CD2 4.05Å; L194-P216 HydrophobicContact CD1-CB 3.86Å; L194-P216 HydrophobicContact CD1-CG 3.47Å; L194-P216 VanDerWaalsContact CD1-CG 3.47Å; L194-L219 HydrophobicContact CD1-CD2 4.07Å |
| 195 | P | 87.4 | Confident | 89.5 | Confident | 33 Ų | 33 | 48.7 Ų | 48.7 | 21% | 0.214 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -58.6 | -19.5 | 179.8 | -27.6 | 37.6 | 0 | 0 | 0 | 114.6 | K192 M197 | K192-P195 WeakPolarHBondContact O-CD 3.5Å; P195-M197 VanDerWaalsContact C-N 3.28Å |
| 196 | C | 87.5 | Confident | 89.6 | Confident | 62 Ų | 62 | 48.5 Ų | 48.5 | 42% | 0.419 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -72.4 | -20.6 | 174.7 | -60.7 | 0 | 0 | 0 | 0 | 113 | R171 Q193 L194 T198 | R171-C196 HydrophobicContact CB-CB 4.43Å; Q193-C196 WeakPolarHBondContact O-CB 3.29Å; Q193-C196 PolarHBondContact O-N 2.91Å; L194-C196 PolarHBondContact O-N 3.04Å; C196-T198 VanDerWaalsContact C-N 3.32Å; C196-T198 PolarHBondContact O-N 3.06Å; C196-T198 VanDerWaalsContact O-N 3.14Å |
| 197 | M | 91.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | trans | -89.7 | 60 | -175.7 | -55.6 | 173 | -178.5 | 0 | 0 | 110.9 | I170 L176 L179 L194 P195 F199 L200 L222 | I170-M197 HydrophobicContact CB-CE 4.41Å; I170-M197 HydrophobicContact CD1-CE 4.1Å; I170-M197 HydrophobicContact CG1-CE 3.68Å; I170-M197 HydrophobicContact CG2-CE 4.29Å; I170-M197 VanDerWaalsContact O-CE 3.25Å; I170-M197 WeakPolarHBondContact O-CE 3.16Å; L176-M197 HydrophobicContact CD2-CE 4.27Å; L176-M197 HydrophobicContact CD2-SD 3.87Å; L179-M197 HydrophobicContact CD2-SD 4.17Å; L194-M197 HydrophobicContact CD2-CE 4.31Å; L194-M197 HydrophobicContact CD2-SD 3.63Å; L194-M197 WeakPolarHBondContact O-CB 3.21Å; L194-M197 PolarHBondContact O-N 3.38Å; P195-M197 VanDerWaalsContact C-N 3.28Å; M197-F199 PolarHBondContact O-N 2.82Å; M197-L200 HydrophobicContact CB-CB 4.19Å; M197-L200 VanDerWaalsContact O-CB 3.23Å; M197-L200 WeakPolarHBondContact O-CB 3.49Å; M197-L200 PolarHBondContact O-N 3.08Å; M197-L222 WeakPolarHBondContact O-CD2 3.47Å | ||
| 198 | T | 88.8 | Confident | 90.1 | Very high | 66 Ų | 66 | 49.3 Ų | 49.3 | 41% | 0.405 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -21 | -171.7 | 60.1 | 0 | 0 | 0 | 0 | 114.6 | C196 L200 N224 | C196-T198 VanDerWaalsContact C-N 3.32Å; C196-T198 PolarHBondContact O-N 3.06Å; C196-T198 VanDerWaalsContact O-N 3.14Å; T198-L200 VanDerWaalsContact C-N 3.35Å; T198-N224 PolarHBondContact O-ND2 3.26Å |
| 199 | F | 93.2 | Very high | 90.5 | Very high | 100 Ų | 100 | 42.7 Ų | 42.7 | 44% | 0.439 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 1.6 | 176 | -66.6 | -74.7 | 0 | 0 | 0 | 114.3 | L176 Q177 M197 R201 | L176-F199 CarbonylContact O-C 3.34Å; Q177-F199 HydrophobicContact CG-CB 4.28Å; M197-F199 PolarHBondContact O-N 2.82Å; F199-R201 PolarHBondContact O-N 2.83Å |
| 200 | L | 95.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | trans | -63.9 | 122.9 | -176.6 | -160.3 | 75.1 | 0 | 0 | 0 | 111.7 | L176 L179 L194 M197 T198 L203 L222 N224 L225 | L176-L200 HydrophobicContact CD2-CD1 4.27Å; L176-L200 HydrophobicContact CG-CD1 4.29Å; L176-L200 VanDerWaalsContact O-CA 3.31Å; L176-L200 WeakPolarHBondContact O-CA 3.26Å; L176-L200 PolarHBondContact O-N 2.83Å; L179-L200 HydrophobicContact CB-CD1 3.8Å; L194-L200 HydrophobicContact CD2-CD2 4.44Å; M197-L200 HydrophobicContact CB-CB 4.19Å; M197-L200 VanDerWaalsContact O-CB 3.23Å; M197-L200 WeakPolarHBondContact O-CB 3.49Å; M197-L200 PolarHBondContact O-N 3.08Å; T198-L200 VanDerWaalsContact C-N 3.35Å; L200-L203 HydrophobicContact CD2-CB 3.96Å; L200-L203 HydrophobicContact CD2-CD1 4.22Å; L200-L203 HydrophobicContact CD2-CD2 4.42Å; L200-L203 HydrophobicContact CD2-CG 4.43Å; L200-L222 HydrophobicContact CB-CD2 4.36Å; L200-L222 HydrophobicContact CD2-CD1 4.03Å; L200-N224 CarbonylContact O-C 3.42Å; L200-N224 VanDerWaalsContact O-C 3.3Å; L200-L225 HydrophobicContact CB-CD1 4.4Å; L200-L225 HydrophobicContact CD2-CD1 4.07Å; L200-L225 HydrophobicContact CG-CD1 4.08Å; L200-L225 WeakPolarHBondContact O-CA 3.25Å; L200-L225 PolarHBondContact O-N 2.92Å | ||
| 201 | R | 95.6 | Very high | 91 | Very high | 102 Ų | 102 | 41 Ų | 41 | 39% | 0.385 | 21% | 0.205 | S | C | . | . | trans | -108.3 | -33 | 178.7 | -62 | -177.1 | 69.2 | -167 | -0.3 | 112.8 | Q177 F199 N224 E226 D227 | Q177-R201 PolarHBondContact O-N 3.04Å; F199-R201 PolarHBondContact O-N 2.83Å; R201-N224 WeakPolarHBondContact CA-O 3.44Å; R201-N224 HydrophobicContact CG-CB 4.32Å; R201-E226 IonicContact CZ-OE1 2.73Å; R201-E226 IonicContact CZ-OE2 3.61Å; R201-E226 IonicContact NE-OE1 2.8Å; R201-E226 PolarHBondContact NE-OE1 3.22Å; R201-E226 IonicContact NE-OE2 3.44Å; R201-E226 IonicContact NH2-OE1 3.6Å; R201-E226 PolarHBondContact NH2-OE1 3.07Å; R201-E226 IonicContact NH2-OE2 2.77Å; R201-E226 PolarHBondContact NH2-OE2 3.2Å; R201-E226 PolarHBondContact O-N 3Å; R201-D227 PolarHBondContact O-N 2.91Å; R201-D227 VanDerWaalsContact O-N 3.07Å | ||
| 202 | V | 97 | Very high | 90.9 | Very high | 30 Ų | 30 | 44.1 Ų | 44.1 | 18% | 0.182 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 123.4 | -177.3 | -177.3 | 0 | 0 | 0 | 0 | 109.7 | Q177 V178 L179 H204 D227 | Q177-V202 PolarHBondContact O-N 3.31Å; V178-V202 HydrophobicContact CB-CB 4.37Å; V178-V202 HydrophobicContact CG1-CB 4.07Å; V178-V202 HydrophobicContact CG1-CG1 4.26Å; V178-V202 HydrophobicContact CG2-CB 4.13Å; V178-V202 HydrophobicContact CG2-CG2 4.09Å; L179-V202 PolarHBondContact N-O 2.96Å; V202-H204 WeakPolarHBondContact CG1-NE2 3.42Å; V202-D227 WeakPolarHBondContact CA-O 3.41Å; V202-D227 HydrophobicContact CG1-CB 4.26Å; V202-D227 HydrophobicContact CG2-CB 4.17Å |
| 203 | L | 95.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 106.6 | 176.1 | 178.1 | 60.3 | 0 | 0 | 0 | 110.4 | L179 L194 L200 M205 L219 L225 D227 V228 D229 F230 | L179-L203 HydrophobicContact CB-CD1 4.38Å; L179-L203 HydrophobicContact CD2-CD1 4.09Å; L179-L203 HydrophobicContact CG-CD1 4.32Å; L194-L203 HydrophobicContact CD1-CD2 4.05Å; L200-L203 HydrophobicContact CD2-CB 3.96Å; L200-L203 HydrophobicContact CD2-CD1 4.22Å; L200-L203 HydrophobicContact CD2-CD2 4.42Å; L200-L203 HydrophobicContact CD2-CG 4.43Å; L203-M205 HydrophobicContact CD1-CE 4.48Å; L203-M205 HydrophobicContact CD1-CG 3.87Å; L203-M205 HydrophobicContact CD1-SD 4.14Å; L203-M205 HydrophobicContact CD2-CE 4.11Å; L203-M205 HydrophobicContact CG-CE 4.38Å; L203-M205 HydrophobicContact CG-CG 4.22Å; L203-L219 HydrophobicContact CD2-CD2 3.76Å; L203-L225 HydrophobicContact CB-CD1 3.93Å; L203-D227 PolarHBondContact N-O 2.91Å; L203-V228 WeakPolarHBondContact O-CA 3.44Å; L203-D229 PolarHBondContact O-N 2.97Å; L203-F230 HydrophobicContact CD2-CE1 4.3Å; L203-F230 HydrophobicContact CD2-CZ 4.39Å; L203-F230 HydrophobicContact CG-CE1 4.48Å |
| 204 | H | 96.1 | Very high | 90.6 | Very high | 34 Ų | 34 | 38.6 Ų | 38.6 | 16% | 0.157 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 117.2 | 179.9 | -66.6 | 179.5 | 0 | 0 | 0 | 110.5 | L179 I180 L181 N182 V202 D227 D229 | L179-H204 PolarHBondContact O-N 3.26Å; I180-H204 HydrophobicContact CB-CB 4.4Å; I180-H204 HydrophobicContact CG1-CB 4.37Å; I180-H204 HydrophobicContact CG2-CB 3.95Å; L181-H204 PolarHBondContact N-O 2.91Å; N182-H204 VanDerWaalsContact OD1-CB 3.31Å; N182-H204 WeakPolarHBondContact OD1-CB 3.33Å; N182-H204 PolarHBondContact OD1-O 3.41Å; V202-H204 WeakPolarHBondContact CG1-NE2 3.42Å; H204-D227 IonicContact CD2-OD1 3.57Å; H204-D227 IonicContact NE2-OD1 2.93Å; H204-D227 PolarHBondContact NE2-OD1 2.91Å; H204-D227 IonicContact NE2-OD2 3.74Å; H204-D229 HydrophobicContact CB-CB 4.28Å |
| 205 | M | 93.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | trans | -134.8 | 40.6 | -177.9 | -59.1 | -160.1 | -70.2 | 0 | 0 | 111.8 | N182 L191 L203 T208 P216 D229 F230 N233 | N182-M205 PolarHBondContact OD1-N 2.91Å; L191-M205 HydrophobicContact CD1-CE 4.11Å; L191-M205 HydrophobicContact CD1-SD 3.21Å; L191-M205 WeakPolarHBondContact CD1-SD 3.45Å; L203-M205 HydrophobicContact CD1-CE 4.48Å; L203-M205 HydrophobicContact CD1-CG 3.87Å; L203-M205 HydrophobicContact CD1-SD 4.14Å; L203-M205 HydrophobicContact CD2-CE 4.11Å; L203-M205 HydrophobicContact CG-CE 4.38Å; L203-M205 HydrophobicContact CG-CG 4.22Å; M205-T208 HydrophobicContact CB-CG2 4.22Å; M205-T208 PolarHBondContact O-OG1 2.97Å; M205-P216 HydrophobicContact CE-CG 3.97Å; M205-D229 CarbonylContact C-O 3.43Å; M205-D229 WeakPolarHBondContact CA-O 3.43Å; M205-D229 PolarHBondContact N-O 2.79Å; M205-F230 HydrophobicContact CB-CD1 3.96Å; M205-F230 HydrophobicContact CB-CE1 4.11Å; M205-F230 HydrophobicContact CE-CD1 3.94Å; M205-F230 HydrophobicContact CE-CE1 3.1Å; M205-F230 HydrophobicContact CE-CZ 3.57Å; M205-F230 HydrophobicContact CG-CE1 4.28Å; M205-F230 HydrophobicContact SD-CE1 4.49Å; M205-N233 PolarHBondContact O-ND2 2.82Å | ||
| 206 | R | 94.2 | Very high | 90 | Very high | 60 Ų | 60 | 38 Ų | 38 | 23% | 0.226 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | 135.4 | 175 | 173.2 | -179.4 | 176.9 | 87.8 | 3 | 111 | N182 E183 T208 D229 S231 C232 | N182-R206 CarbonylContact C-O 3.58Å; N182-R206 VanDerWaalsContact CA-O 3.3Å; N182-R206 WeakPolarHBondContact CA-O 3.11Å; N182-R206 HydrophobicContact CB-CB 4.08Å; N182-R206 VanDerWaalsContact OD1-CB 3.3Å; N182-R206 WeakPolarHBondContact OD1-CB 3.36Å; N182-R206 PolarHBondContact OD1-N 2.82Å; E183-R206 PolarHBondContact N-O 2.86Å; E183-R206 IonicContact OE1-NE 3.52Å; R206-T208 PolarHBondContact O-N 2.84Å; R206-D229 PolarHBondContact N-O 3.02Å; R206-S231 CarbonylContact C-O 3.31Å; R206-S231 WeakPolarHBondContact CA-O 3.49Å; R206-S231 WeakPolarHBondContact CD-OG 3.43Å; R206-S231 WeakPolarHBondContact CG-O 3.47Å; R206-S231 VanDerWaalsContact CG-OG 3.32Å; R206-S231 WeakPolarHBondContact CG-OG 3.49Å; R206-S231 PolarHBondContact NH1-OG 2.8Å; R206-C232 HydrophobicContact CG-CB 4.22Å; R206-C232 PolarHBondContact NH1-SG 2.8Å; R206-C232 VanDerWaalsContact NH1-SG 3.4Å; R206-C232 PolarHBondContact NH2-SG 2.83Å |
| 207 | N | 94.1 | Very high | 89.5 | Confident | 72 Ų | 72 | 39.7 Ų | 39.7 | 39% | 0.385 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.6 | 54.6 | 178 | -162.5 | 25.9 | 0 | 0 | 0 | 113.5 | E183 S231 C232 | E183-N207 PolarHBondContact OE2-ND2 2.82Å; N207-S231 PolarHBondContact N-O 3.02Å; N207-C232 VanDerWaalsContact CA-O 3.24Å; N207-C232 WeakPolarHBondContact CA-O 3.35Å; N207-C232 HydrophobicContact CB-CB 3.8Å; N207-C232 PolarHBondContact OD1-O 2.87Å |
| 208 | T | 92.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -116.4 | 23.7 | 178.1 | 59.8 | 0 | 0 | 0 | 0 | 112.6 | L181 N184 L186 M205 R206 R210 N233 | L181-T208 VanDerWaalsContact O-CG2 3.26Å; L181-T208 WeakPolarHBondContact O-CG2 3.44Å; N184-T208 VanDerWaalsContact O-CA 3.25Å; N184-T208 WeakPolarHBondContact O-CA 3.33Å; L186-T208 HydrophobicContact CD1-CG2 4.2Å; M205-T208 HydrophobicContact CB-CG2 4.22Å; M205-T208 PolarHBondContact O-OG1 2.97Å; R206-T208 PolarHBondContact O-N 2.84Å; T208-R210 VanDerWaalsContact C-N 3.28Å; T208-R210 PolarHBondContact O-N 2.97Å; T208-R210 PolarHBondContact O-NE 2.88Å; T208-R210 VanDerWaalsContact O-NE 3.1Å; T208-R210 PolarHBondContact O-NH2 2.84Å; T208-R210 WeakPolarHBondContact OG1-CG 3.23Å; T208-N233 PolarHBondContact N-OD1 3.26Å |
| 209 | C | 91.2 | Very high | 88.9 | Confident | 42 Ų | 42 | 38.7 Ų | 38.7 | 28% | 0.284 | 23% | 0.228 | S | C | . | . | trans | 48.7 | 44.5 | -173 | 15.2 | 0 | 0 | 0 | 0 | 113.1 | C187 N214 N233 | C187-C209 WeakPolarHBondContact CA-SG 3.32Å; C187-C209 HydrophobicContact CB-CB 3.75Å; C187-C209 WeakPolarHBondContact CB-SG 3.5Å; C187-C209 PolarHBondContact N-SG 3.35Å; C187-C209 VanDerWaalsContact N-SG 3.39Å; C187-C209 WeakPolarHBondContact SG-CB 3.27Å; C187-C209 CovalentContact SG-SG 2.05Å; C187-C209 PolarHBondContact SG-SG 3.2Å; C209-N214 PolarHBondContact O-ND2 3.14Å; C209-N233 PolarHBondContact N-OD1 3.2Å | ||
| 210 | R | 89.9 | Confident | 88.4 | Confident | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.008 | 22% | 0.22 | C | C | . | . | trans | -71 | 140.6 | 172.5 | -58.5 | -59.1 | 82.5 | -159.6 | 2.1 | 111.6 | L186 F189 T208 N214 V215 N233 D234 L235 | L186-R210 VanDerWaalsContact C-NH2 3.27Å; L186-R210 PolarHBondContact O-NH2 2.76Å; F189-R210 PolarHBondContact O-NH1 3.03Å; T208-R210 VanDerWaalsContact C-N 3.28Å; T208-R210 PolarHBondContact O-N 2.97Å; T208-R210 PolarHBondContact O-NE 2.88Å; T208-R210 VanDerWaalsContact O-NE 3.1Å; T208-R210 PolarHBondContact O-NH2 2.84Å; T208-R210 WeakPolarHBondContact OG1-CG 3.23Å; R210-N214 WeakPolarHBondContact CA-OD1 3.44Å; R210-N214 VanDerWaalsContact CZ-CG 3.49Å; R210-N214 PolarHBondContact NH1-ND2 3.17Å; R210-N214 PolarHBondContact NH1-O 3.16Å; R210-N214 PolarHBondContact NH1-OD1 3.16Å; R210-V215 HydrophobicContact CB-CG2 4.16Å; R210-N233 HydrophobicContact CB-CB 3.83Å; R210-N233 PolarHBondContact N-OD1 3.17Å; R210-D234 PolarHBondContact O-N 3.05Å; R210-L235 HydrophobicContact CB-CD2 4.2Å | ||
| 211 | N | 86.2 | Confident | 88 | Confident | 69 Ų | 69 | 40.5 Ų | 40.5 | 37% | 0.369 | 24% | 0.242 | S | C | . | . | trans | -142.5 | 170.7 | 173.8 | 66.4 | 26.6 | 0 | 0 | 0 | 109 | G213 N214 V215 | N211-G213 PolarHBondContact O-N 3.4Å; N211-G213 PolarHBondContact OD1-N 2.79Å; N211-G213 VanDerWaalsContact OD1-N 3.08Å; N211-N214 PolarHBondContact N-OD1 3.3Å; N211-N214 PolarHBondContact O-N 3.36Å; N211-N214 VanDerWaalsContact O-N 3.12Å; N211-N214 PolarHBondContact O-OD1 3.09Å; N211-N214 VanDerWaalsContact O-OD1 3.06Å; N211-N214 WeakPolarHBondContact OD1-CB 3.27Å; N211-N214 PolarHBondContact OD1-N 3.35Å; N211-N214 PolarHBondContact OD1-ND2 2.87Å; N211-N214 PolarHBondContact OD1-OD1 3.49Å; N211-V215 VanDerWaalsContact O-CG2 3.31Å; N211-V215 WeakPolarHBondContact O-CG2 3.45Å; N211-V215 PolarHBondContact O-N 3.33Å; N211-V215 VanDerWaalsContact O-N 3.16Å | ||
| 212 | A | 80 | Confident | 87.7 | Confident | 69 Ų | 69 | 35.6 Ų | 35.6 | 57% | 0.57 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -28.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 213 | G | 80 | Confident | 87.3 | Confident | 59 Ų | 59 | 38.4 Ų | 38.4 | 61% | 0.608 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -13.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | N211 | N211-G213 PolarHBondContact O-N 3.4Å; N211-G213 PolarHBondContact OD1-N 2.79Å; N211-G213 VanDerWaalsContact OD1-N 3.08Å |
| 214 | N | 84.5 | Confident | 87.2 | Confident | 9 Ų | 9 | 41.2 Ų | 41.2 | 5% | 0.048 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.7 | -1 | -176.5 | 75.9 | 11.4 | 0 | 0 | 0 | 113.8 | C187 C209 R210 N211 | C187-N214 PolarHBondContact O-ND2 3.31Å; C209-N214 PolarHBondContact O-ND2 3.14Å; R210-N214 WeakPolarHBondContact CA-OD1 3.44Å; R210-N214 VanDerWaalsContact CZ-CG 3.49Å; R210-N214 PolarHBondContact NH1-ND2 3.17Å; R210-N214 PolarHBondContact NH1-O 3.16Å; R210-N214 PolarHBondContact NH1-OD1 3.16Å; N211-N214 PolarHBondContact N-OD1 3.3Å; N211-N214 PolarHBondContact O-N 3.36Å; N211-N214 VanDerWaalsContact O-N 3.12Å; N211-N214 PolarHBondContact O-OD1 3.09Å; N211-N214 VanDerWaalsContact O-OD1 3.06Å; N211-N214 WeakPolarHBondContact OD1-CB 3.27Å; N211-N214 PolarHBondContact OD1-N 3.35Å; N211-N214 PolarHBondContact OD1-ND2 2.87Å; N211-N214 PolarHBondContact OD1-OD1 3.49Å |
| 215 | V | 84.7 | Confident | 87.1 | Confident | 16 Ų | 16 | 39.7 Ų | 39.7 | 10% | 0.097 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -62.9 | 144 | 167.2 | 170 | 0 | 0 | 0 | 0 | 108.6 | R210 N211 S217 L219 F230 L235 P239 | R210-V215 HydrophobicContact CB-CG2 4.16Å; N211-V215 VanDerWaalsContact O-CG2 3.31Å; N211-V215 WeakPolarHBondContact O-CG2 3.45Å; N211-V215 PolarHBondContact O-N 3.33Å; N211-V215 VanDerWaalsContact O-N 3.16Å; V215-S217 PolarHBondContact O-N 3.34Å; V215-S217 VanDerWaalsContact O-N 3.12Å; V215-L219 HydrophobicContact CG1-CD1 4.49Å; V215-F230 HydrophobicContact CG1-CE2 4.39Å; V215-L235 HydrophobicContact CG2-CD2 3.47Å; V215-L235 VanDerWaalsContact CG2-CD2 3.47Å; V215-P239 HydrophobicContact CB-CG 4.24Å; V215-P239 HydrophobicContact CG1-CB 3.81Å; V215-P239 HydrophobicContact CG1-CG 3.6Å; V215-P239 HydrophobicContact CG2-CG 4.03Å |
| 216 | P | 78.9 | Confident | 87.2 | Confident | 5 Ų | 5 | 42.1 Ų | 42.1 | 3% | 0.032 | 26% | 0.26 | C | S | . | . | trans | -63.8 | 116.9 | 177.1 | -10.8 | 23.8 | 0 | 0 | 0 | 110.2 | L191 L194 M205 S218 L219 | L191-P216 HydrophobicContact CB-CG 4.05Å; L194-P216 HydrophobicContact CD1-CB 3.86Å; L194-P216 HydrophobicContact CD1-CG 3.47Å; L194-P216 VanDerWaalsContact CD1-CG 3.47Å; M205-P216 HydrophobicContact CE-CG 3.97Å; P216-S218 PolarHBondContact O-N 2.6Å; P216-L219 HydrophobicContact CB-CD2 4.02Å; P216-L219 HydrophobicContact CB-CG 3.99Å; P216-L219 HydrophobicContact CG-CD1 4.45Å; P216-L219 HydrophobicContact CG-CD2 4.12Å; P216-L219 HydrophobicContact CG-CG 4.33Å | ||
| 217 | S | 76.3 | Confident | 87.4 | Confident | 99 Ų | 99 | 40.7 Ų | 40.7 | 69% | 0.692 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -19.6 | -175.4 | 53.9 | 0 | 0 | 0 | 0 | 114.1 | V215 | V215-S217 PolarHBondContact O-N 3.34Å; V215-S217 VanDerWaalsContact O-N 3.12Å |
| 218 | S | 82.1 | Confident | 87.4 | Confident | 44 Ų | 44 | 37.3 Ų | 37.3 | 31% | 0.308 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -121 | 38.8 | -169 | -55.8 | 0 | 0 | 0 | 0 | 112.9 | P216 D220 | P216-S218 PolarHBondContact O-N 2.6Å; S218-D220 VanDerWaalsContact C-OD1 3.27Å; S218-D220 VanDerWaalsContact CA-OD1 3.29Å; S218-D220 WeakPolarHBondContact CA-OD1 3.4Å; S218-D220 PolarHBondContact O-N 3.2Å |
| 219 | L | 85.6 | Confident | 87.5 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -66.5 | -16.5 | 173.1 | -68.6 | 169.3 | 0 | 0 | 0 | 112.6 | L194 L203 V215 P216 N221 L222 F230 A241 L242 L245 | L194-L219 HydrophobicContact CD1-CD2 4.07Å; L203-L219 HydrophobicContact CD2-CD2 3.76Å; V215-L219 HydrophobicContact CG1-CD1 4.49Å; P216-L219 HydrophobicContact CB-CD2 4.02Å; P216-L219 HydrophobicContact CB-CG 3.99Å; P216-L219 HydrophobicContact CG-CD1 4.45Å; P216-L219 HydrophobicContact CG-CD2 4.12Å; P216-L219 HydrophobicContact CG-CG 4.33Å; L219-N221 PolarHBondContact O-N 3.12Å; L219-L222 HydrophobicContact CD2-CD1 3.7Å; L219-L222 WeakPolarHBondContact O-CB 3.37Å; L219-L222 PolarHBondContact O-N 3.29Å; L219-F230 HydrophobicContact CD1-CE2 4.08Å; L219-F230 HydrophobicContact CD1-CZ 3.84Å; L219-A241 HydrophobicContact CB-CB 3.91Å; L219-L242 HydrophobicContact CD1-CD2 3.88Å; L219-L245 WeakPolarHBondContact O-CD2 3.2Å |
| 220 | D | 82.6 | Confident | 87.7 | Confident | 51 Ų | 51 | 36.2 Ų | 36.2 | 27% | 0.273 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -64.6 | -22.8 | -179.9 | 54.9 | -19.4 | 0 | 0 | 0 | 114 | S218 L222 K244 | S218-D220 VanDerWaalsContact C-OD1 3.27Å; S218-D220 VanDerWaalsContact CA-OD1 3.29Å; S218-D220 WeakPolarHBondContact CA-OD1 3.4Å; S218-D220 PolarHBondContact O-N 3.2Å; D220-L222 PolarHBondContact O-N 3.01Å; D220-K244 HydrophobicContact CB-CB 4.04Å; D220-K244 HydrophobicContact CB-CD 3.63Å; D220-K244 HydrophobicContact CB-CG 4.49Å; D220-K244 IonicContact OD2-NZ 2.66Å; D220-K244 PolarHBondContact OD2-NZ 2.64Å |
| 221 | N | 86.3 | Confident | 87.9 | Confident | 87 Ų | 87 | 36.1 Ų | 36.1 | 47% | 0.465 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -72.2 | -16.5 | 172.3 | -68.5 | -20.7 | 0 | 0 | 0 | 113.4 | L219 V223 | L219-N221 PolarHBondContact O-N 3.12Å; N221-V223 VanDerWaalsContact C-N 3.25Å; N221-V223 PolarHBondContact O-N 3.43Å |
| 222 | L | 90.7 | Very high | 88.2 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | trans | -85.6 | 66.1 | -177.4 | -55.8 | 179.4 | 0 | 0 | 0 | 110.6 | M197 L200 L219 D220 N224 L225 | M197-L222 WeakPolarHBondContact O-CD2 3.47Å; L200-L222 HydrophobicContact CB-CD2 4.36Å; L200-L222 HydrophobicContact CD2-CD1 4.03Å; L219-L222 HydrophobicContact CD2-CD1 3.7Å; L219-L222 WeakPolarHBondContact O-CB 3.37Å; L219-L222 PolarHBondContact O-N 3.29Å; D220-L222 PolarHBondContact O-N 3.01Å; L222-N224 PolarHBondContact O-N 2.65Å; L222-L225 HydrophobicContact CB-CB 4.2Å; L222-L225 HydrophobicContact CB-CD2 4.45Å; L222-L225 HydrophobicContact CD1-CD2 4.36Å; L222-L225 VanDerWaalsContact O-CB 3.3Å; L222-L225 WeakPolarHBondContact O-CB 3.42Å; L222-L225 PolarHBondContact O-N 2.78Å | ||
| 223 | V | 88.4 | Confident | 88.9 | Confident | 88 Ų | 88 | 31.3 Ų | 31.3 | 53% | 0.533 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -23.4 | -175.4 | -64.3 | 0 | 0 | 0 | 0 | 113.4 | N221 N247 | N221-V223 VanDerWaalsContact C-N 3.25Å; N221-V223 PolarHBondContact O-N 3.43Å; V223-N247 WeakPolarHBondContact O-CB 3.37Å; V223-N247 PolarHBondContact O-ND2 2.82Å |
| 224 | N | 92.9 | Very high | 89.3 | Confident | 59 Ų | 59 | 32.5 Ų | 32.5 | 32% | 0.316 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | 0.2 | -178.8 | -66.8 | -45.6 | 0 | 0 | 0 | 114.1 | T198 L200 R201 L222 E226 | T198-N224 PolarHBondContact O-ND2 3.26Å; L200-N224 CarbonylContact O-C 3.42Å; L200-N224 VanDerWaalsContact O-C 3.3Å; R201-N224 WeakPolarHBondContact CA-O 3.44Å; R201-N224 HydrophobicContact CG-CB 4.32Å; L222-N224 PolarHBondContact O-N 2.65Å; N224-E226 PolarHBondContact O-N 3.18Å |
| 225 | L | 95 | Very high | 89.7 | Confident | 2 Ų | 2 | 32.1 Ų | 32.1 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | trans | -70.1 | 120.8 | -173.9 | -154.1 | 66 | 0 | 0 | 0 | 111.6 | L200 L203 L222 V228 L245 N247 L248 | L200-L225 HydrophobicContact CB-CD1 4.4Å; L200-L225 HydrophobicContact CD2-CD1 4.07Å; L200-L225 HydrophobicContact CG-CD1 4.08Å; L200-L225 WeakPolarHBondContact O-CA 3.25Å; L200-L225 PolarHBondContact O-N 2.92Å; L203-L225 HydrophobicContact CB-CD1 3.93Å; L222-L225 HydrophobicContact CB-CB 4.2Å; L222-L225 HydrophobicContact CB-CD2 4.45Å; L222-L225 HydrophobicContact CD1-CD2 4.36Å; L222-L225 VanDerWaalsContact O-CB 3.3Å; L222-L225 WeakPolarHBondContact O-CB 3.42Å; L222-L225 PolarHBondContact O-N 2.78Å; L225-V228 HydrophobicContact CD1-CG2 4.45Å; L225-V228 HydrophobicContact CD2-CG2 3.3Å; L225-V228 HydrophobicContact CG-CG2 3.64Å; L225-L245 HydrophobicContact CB-CD2 4.23Å; L225-L245 HydrophobicContact CD2-CD1 3.8Å; L225-L245 HydrophobicContact CD2-CD2 4.38Å; L225-N247 CarbonylContact O-C 3.49Å; L225-L248 PolarHBondContact O-N 2.95Å | ||
| 226 | E | 95.9 | Very high | 89.9 | Confident | 52 Ų | 52 | 37.9 Ų | 37.9 | 24% | 0.243 | 21% | 0.21 | C | C | . | . | trans | -114.3 | -31.7 | -175.7 | -72.6 | 175.9 | -166.3 | 0 | 0 | 112.6 | R201 N224 R249 R250 | R201-E226 IonicContact CZ-OE1 2.73Å; R201-E226 IonicContact CZ-OE2 3.61Å; R201-E226 IonicContact NE-OE1 2.8Å; R201-E226 PolarHBondContact NE-OE1 3.22Å; R201-E226 IonicContact NE-OE2 3.44Å; R201-E226 IonicContact NH2-OE1 3.6Å; R201-E226 PolarHBondContact NH2-OE1 3.07Å; R201-E226 IonicContact NH2-OE2 2.77Å; R201-E226 PolarHBondContact NH2-OE2 3.2Å; R201-E226 PolarHBondContact O-N 3Å; N224-E226 PolarHBondContact O-N 3.18Å; E226-R249 WeakPolarHBondContact O-CA 3.14Å; E226-R249 PolarHBondContact O-N 3.05Å; E226-R250 PolarHBondContact O-N 3.35Å | ||
| 227 | D | 96.8 | Very high | 90.5 | Very high | 30 Ų | 30 | 43.5 Ų | 43.5 | 16% | 0.16 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 117.3 | -175.3 | -167.4 | -31 | 0 | 0 | 0 | 110.6 | R201 V202 L203 H204 R250 | R201-D227 PolarHBondContact O-N 2.91Å; R201-D227 VanDerWaalsContact O-N 3.07Å; V202-D227 WeakPolarHBondContact CA-O 3.41Å; V202-D227 HydrophobicContact CG1-CB 4.26Å; V202-D227 HydrophobicContact CG2-CB 4.17Å; L203-D227 PolarHBondContact N-O 2.91Å; H204-D227 IonicContact CD2-OD1 3.57Å; H204-D227 IonicContact NE2-OD1 2.93Å; H204-D227 PolarHBondContact NE2-OD1 2.91Å; H204-D227 IonicContact NE2-OD2 3.74Å; D227-R250 WeakPolarHBondContact CA-O 3.41Å; D227-R250 HydrophobicContact CB-CB 4.31Å; D227-R250 WeakPolarHBondContact OD2-CD 3.19Å; D227-R250 IonicContact OD2-NH1 3.88Å |
| 228 | V | 95.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 128.1 | -179.7 | 178 | 0 | 0 | 0 | 0 | 110.8 | L203 L225 F230 L242 L245 L248 R250 L251 N252 | L203-V228 WeakPolarHBondContact O-CA 3.44Å; L225-V228 HydrophobicContact CD1-CG2 4.45Å; L225-V228 HydrophobicContact CD2-CG2 3.3Å; L225-V228 HydrophobicContact CG-CG2 3.64Å; V228-F230 HydrophobicContact CG1-CD1 4.12Å; V228-F230 HydrophobicContact CG1-CD2 4.32Å; V228-F230 HydrophobicContact CG1-CE1 3.86Å; V228-F230 HydrophobicContact CG1-CE2 4.14Å; V228-F230 HydrophobicContact CG1-CG 4.31Å; V228-F230 HydrophobicContact CG1-CZ 3.9Å; V228-L242 HydrophobicContact CG1-CD2 4.1Å; V228-L245 HydrophobicContact CG2-CD1 4.45Å; V228-L248 HydrophobicContact CB-CD1 4.13Å; V228-L248 HydrophobicContact CG2-CD1 3.63Å; V228-R250 PolarHBondContact N-O 3.21Å; V228-L251 HydrophobicContact CB-CD1 4.1Å; V228-L251 HydrophobicContact CG1-CD1 4.18Å; V228-N252 PolarHBondContact O-N 3.24Å |
| 229 | D | 94.5 | Very high | 91.4 | Very high | 20 Ų | 20 | 37.9 Ų | 37.9 | 11% | 0.107 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 107.4 | 174.4 | -166.8 | -20.1 | 0 | 0 | 0 | 111.5 | L203 H204 M205 R206 S231 N252 | L203-D229 PolarHBondContact O-N 2.97Å; H204-D229 HydrophobicContact CB-CB 4.28Å; M205-D229 CarbonylContact C-O 3.43Å; M205-D229 WeakPolarHBondContact CA-O 3.43Å; M205-D229 PolarHBondContact N-O 2.79Å; R206-D229 PolarHBondContact N-O 3.02Å; D229-S231 WeakPolarHBondContact OD1-CB 3.44Å; D229-S231 PolarHBondContact OD1-N 3.35Å; D229-S231 PolarHBondContact OD1-OG 2.87Å; D229-N252 HydrophobicContact CB-CB 4.24Å; D229-N252 VanDerWaalsContact CG-ND2 3.33Å; D229-N252 PolarHBondContact OD1-ND2 3.17Å; D229-N252 PolarHBondContact OD2-ND2 3.33Å |
| 230 | F | 94.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | trans | -113.3 | 29.7 | 170.1 | -64.1 | -19 | 0 | 0 | 0 | 112.1 | L203 M205 V215 L219 V228 N233 L235 L242 N252 L253 N256 | L203-F230 HydrophobicContact CD2-CE1 4.3Å; L203-F230 HydrophobicContact CD2-CZ 4.39Å; L203-F230 HydrophobicContact CG-CE1 4.48Å; M205-F230 HydrophobicContact CB-CD1 3.96Å; M205-F230 HydrophobicContact CB-CE1 4.11Å; M205-F230 HydrophobicContact CE-CD1 3.94Å; M205-F230 HydrophobicContact CE-CE1 3.1Å; M205-F230 HydrophobicContact CE-CZ 3.57Å; M205-F230 HydrophobicContact CG-CE1 4.28Å; M205-F230 HydrophobicContact SD-CE1 4.49Å; V215-F230 HydrophobicContact CG1-CE2 4.39Å; L219-F230 HydrophobicContact CD1-CE2 4.08Å; L219-F230 HydrophobicContact CD1-CZ 3.84Å; V228-F230 HydrophobicContact CG1-CD1 4.12Å; V228-F230 HydrophobicContact CG1-CD2 4.32Å; V228-F230 HydrophobicContact CG1-CE1 3.86Å; V228-F230 HydrophobicContact CG1-CE2 4.14Å; V228-F230 HydrophobicContact CG1-CG 4.31Å; V228-F230 HydrophobicContact CG1-CZ 3.9Å; F230-N233 VanDerWaalsContact C-ND2 3.27Å; F230-N233 PolarHBondContact O-ND2 2.74Å; F230-L235 HydrophobicContact CB-CD1 3.9Å; F230-L235 HydrophobicContact CD2-CD1 4.12Å; F230-L235 HydrophobicContact CG-CD1 4.43Å; F230-L242 HydrophobicContact CD2-CD1 3.91Å; F230-L242 HydrophobicContact CE2-CD1 3.84Å; F230-L242 HydrophobicContact CE2-CD2 3.96Å; F230-L242 HydrophobicContact CE2-CG 4.23Å; F230-L242 HydrophobicContact CZ-CD2 4.48Å; F230-N252 PolarHBondContact N-O 2.82Å; F230-L253 HydrophobicContact CB-CD2 4.1Å; F230-L253 HydrophobicContact CD2-CD2 4.42Å; F230-N256 PolarHBondContact O-ND2 3.39Å | ||
| 231 | S | 94.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | -67.1 | 158.3 | 179.4 | 58.3 | 0 | 0 | 0 | 0 | 113.5 | R206 N207 D229 N233 N252 S254 | R206-S231 CarbonylContact C-O 3.31Å; R206-S231 WeakPolarHBondContact CA-O 3.49Å; R206-S231 WeakPolarHBondContact CD-OG 3.43Å; R206-S231 WeakPolarHBondContact CG-O 3.47Å; R206-S231 VanDerWaalsContact CG-OG 3.32Å; R206-S231 WeakPolarHBondContact CG-OG 3.49Å; R206-S231 PolarHBondContact NH1-OG 2.8Å; N207-S231 PolarHBondContact N-O 3.02Å; D229-S231 WeakPolarHBondContact OD1-CB 3.44Å; D229-S231 PolarHBondContact OD1-N 3.35Å; D229-S231 PolarHBondContact OD1-OG 2.87Å; S231-N233 VanDerWaalsContact C-N 3.34Å; S231-N233 PolarHBondContact O-N 2.8Å; S231-N233 PolarHBondContact O-ND2 2.84Å; S231-N252 PolarHBondContact N-O 3.45Å; S231-N252 PolarHBondContact OG-ND2 2.93Å; S231-S254 CarbonylContact C-O 3.4Å; S231-S254 WeakPolarHBondContact CA-O 3.28Å; S231-S254 WeakPolarHBondContact CB-O 3.18Å; S231-S254 WeakPolarHBondContact CB-OG 3.24Å | ||
| 232 | C | 94 | Very high | 91.7 | Very high | 20 Ų | 20 | 38 Ų | 38 | 14% | 0.135 | 20% | 0.198 | C | C | . | . | S | Bend | trans | 57.7 | 41 | -179.9 | -61.5 | 0 | 0 | 0 | 0 | 113.8 | R206 N207 S254 Q255 | R206-C232 HydrophobicContact CG-CB 4.22Å; R206-C232 PolarHBondContact NH1-SG 2.8Å; R206-C232 VanDerWaalsContact NH1-SG 3.4Å; R206-C232 PolarHBondContact NH2-SG 2.83Å; N207-C232 VanDerWaalsContact CA-O 3.24Å; N207-C232 WeakPolarHBondContact CA-O 3.35Å; N207-C232 HydrophobicContact CB-CB 3.8Å; N207-C232 PolarHBondContact OD1-O 2.87Å; C232-S254 PolarHBondContact N-O 2.91Å; C232-Q255 CarbonylContact C-O 3.58Å; C232-Q255 WeakPolarHBondContact CA-O 3.44Å; C232-Q255 HydrophobicContact CB-CB 4.34Å; C232-Q255 PolarHBondContact N-O 2.8Å; C232-Q255 VanDerWaalsContact N-O 3.12Å; C232-Q255 PolarHBondContact SG-OE1 2.69Å |
| 233 | N | 92.7 | Very high | 91.7 | Very high | 16 Ų | 16 | 39.5 Ų | 39.5 | 9% | 0.086 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -118.5 | -175.4 | 174.6 | -71.2 | -59.5 | 0 | 0 | 0 | 109.5 | M205 T208 C209 R210 F230 S231 L235 Q255 N256 | M205-N233 PolarHBondContact O-ND2 2.82Å; T208-N233 PolarHBondContact N-OD1 3.26Å; C209-N233 PolarHBondContact N-OD1 3.2Å; R210-N233 HydrophobicContact CB-CB 3.83Å; R210-N233 PolarHBondContact N-OD1 3.17Å; F230-N233 VanDerWaalsContact C-ND2 3.27Å; F230-N233 PolarHBondContact O-ND2 2.74Å; S231-N233 VanDerWaalsContact C-N 3.34Å; S231-N233 PolarHBondContact O-N 2.8Å; S231-N233 PolarHBondContact O-ND2 2.84Å; N233-L235 HydrophobicContact CB-CG 4.3Å; N233-Q255 PolarHBondContact N-O 3.02Å; N233-Q255 VanDerWaalsContact N-O 3.17Å; N233-N256 VanDerWaalsContact CA-OD1 3.31Å; N233-N256 WeakPolarHBondContact CA-OD1 3.16Å; N233-N256 VanDerWaalsContact CB-OD1 3.23Å; N233-N256 WeakPolarHBondContact CB-OD1 3.33Å; N233-N256 PolarHBondContact N-OD1 3.44Å; N233-N256 WeakPolarHBondContact O-CA 3.07Å; N233-N256 PolarHBondContact O-OD1 3.22Å |
| 234 | D | 89.9 | Confident | 91.7 | Very high | 84 Ų | 84 | 41.1 Ų | 41.1 | 45% | 0.449 | 20% | 0.204 | S | C | . | . | trans | -110 | 50.9 | 176.7 | -171.1 | 32.6 | 0 | 0 | 0 | 111.4 | R210 K236 S257 | R210-D234 PolarHBondContact O-N 3.05Å; D234-K236 PolarHBondContact O-N 2.71Å; D234-S257 PolarHBondContact OD1-OG 3.08Å | ||
| 235 | L | 91.3 | Very high | 91.6 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | trans | -79.4 | 118.7 | 176.1 | -58.7 | 178 | 0 | 0 | 0 | 110.1 | R210 V215 F230 N233 L253 N256 S257 I258 | R210-L235 HydrophobicContact CB-CD2 4.2Å; V215-L235 HydrophobicContact CG2-CD2 3.47Å; V215-L235 VanDerWaalsContact CG2-CD2 3.47Å; F230-L235 HydrophobicContact CB-CD1 3.9Å; F230-L235 HydrophobicContact CD2-CD1 4.12Å; F230-L235 HydrophobicContact CG-CD1 4.43Å; N233-L235 HydrophobicContact CB-CG 4.3Å; L235-L253 HydrophobicContact CD1-CD2 4.29Å; L235-N256 HydrophobicContact CB-CB 4.12Å; L235-N256 WeakPolarHBondContact CB-OD1 3.4Å; L235-N256 WeakPolarHBondContact CG-OD1 3.41Å; L235-N256 PolarHBondContact N-OD1 2.93Å; L235-N256 VanDerWaalsContact N-OD1 3.12Å; L235-S257 CarbonylContact O-C 3.52Å; L235-S257 VanDerWaalsContact O-CA 3.3Å; L235-S257 WeakPolarHBondContact O-CA 3.35Å; L235-S257 PolarHBondContact O-N 2.88Å; L235-I258 HydrophobicContact CB-CG1 4.42Å; L235-I258 WeakPolarHBondContact O-CG1 3.12Å; L235-I258 PolarHBondContact O-N 3.07Å; L235-I258 VanDerWaalsContact O-N 3.16Å | ||
| 236 | K | 90.8 | Very high | 91.3 | Very high | 138 Ų | 138 | 43.2 Ų | 43.2 | 60% | 0.6 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -80.6 | -23.8 | 175.1 | -66.6 | -177.6 | 179.5 | 178.4 | 0 | 113.6 | D234 I258 S259 | D234-K236 PolarHBondContact O-N 2.71Å; K236-I258 WeakPolarHBondContact O-CA 3.49Å; K236-S259 PolarHBondContact O-N 2.95Å |
| 237 | E | 89.8 | Confident | 91.2 | Very high | 123 Ų | 123 | 43 Ų | 43 | 58% | 0.575 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -148.2 | 161.4 | -179.7 | 64.8 | -164.9 | 172.8 | 0 | 0 | 108.8 | P239 | E237-P239 WeakPolarHBondContact O-CD 3.48Š|
| 238 | V | 90.2 | Very high | 91.1 | Very high | 4 Ų | 4 | 41.6 Ų | 41.6 | 2% | 0.024 | 21% | 0.205 | C | C | . | . | trans | -76.7 | 125.1 | 174.6 | -179.8 | 0 | 0 | 0 | 0 | 108.5 | D240 L242 Y243 L253 I258 L261 | V238-D240 PolarHBondContact O-N 3.09Å; V238-L242 HydrophobicContact CG1-CB 4.15Å; V238-L242 HydrophobicContact CG1-CD1 4.01Å; V238-Y243 HydrophobicContact CB-CE1 4.43Å; V238-Y243 HydrophobicContact CB-CE2 3.95Å; V238-Y243 WeakPolarHBondContact CB-OH 3.44Å; V238-Y243 HydrophobicContact CG1-CE1 4.14Å; V238-Y243 HydrophobicContact CG1-CE2 4Å; V238-L253 HydrophobicContact CG1-CD1 4.22Å; V238-L253 HydrophobicContact CG2-CD1 3.71Å; V238-I258 HydrophobicContact CG2-CD1 4.01Å; V238-I258 HydrophobicContact CG2-CG2 4.36Å; V238-L261 HydrophobicContact CG2-CD2 3.48Å; V238-L261 VanDerWaalsContact CG2-CD2 3.48Å | ||
| 239 | P | 88 | Confident | 91.1 | Very high | 21 Ų | 21 | 46.1 Ų | 46.1 | 14% | 0.136 | 22% | 0.222 | C | C | . | . | trans | -57.2 | 133.5 | 178.5 | -23.9 | 30.7 | 0 | 0 | 0 | 113 | V215 E237 A241 L242 | V215-P239 HydrophobicContact CB-CG 4.24Å; V215-P239 HydrophobicContact CG1-CB 3.81Å; V215-P239 HydrophobicContact CG1-CG 3.6Å; V215-P239 HydrophobicContact CG2-CG 4.03Å; E237-P239 WeakPolarHBondContact O-CD 3.48Å; P239-A241 PolarHBondContact O-N 3.47Å; P239-A241 VanDerWaalsContact O-N 3.07Å; P239-L242 HydrophobicContact CB-CG 4.44Å; P239-L242 HydrophobicContact CG-CD1 4.33Å; P239-L242 WeakPolarHBondContact O-CB 3.47Å; P239-L242 PolarHBondContact O-N 2.99Å | ||
| 240 | D | 86.3 | Confident | 91.2 | Very high | 132 Ų | 132 | 51.5 Ų | 51.5 | 71% | 0.706 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -53 | -35.6 | -177.9 | -72 | -20.6 | 0 | 0 | 0 | 114 | V238 L242 Y243 | V238-D240 PolarHBondContact O-N 3.09Å; D240-L242 PolarHBondContact O-N 3.17Å; D240-Y243 PolarHBondContact O-N 2.56Å |
| 241 | A | 86.1 | Confident | 91.3 | Very high | 9 Ų | 9 | 51.6 Ų | 51.6 | 7% | 0.074 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.7 | -28.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L219 P239 K244 | L219-A241 HydrophobicContact CB-CB 3.91Å; P239-A241 PolarHBondContact O-N 3.47Å; P239-A241 VanDerWaalsContact O-N 3.07Å; A241-K244 PolarHBondContact O-N 2.99Å |
| 242 | L | 89.4 | Confident | 91.3 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -71.6 | -33 | 177.2 | -68.8 | -177.8 | 0 | 0 | 0 | 112.6 | L219 V228 F230 V238 P239 D240 K244 L245 L251 L253 W268 | L219-L242 HydrophobicContact CD1-CD2 3.88Å; V228-L242 HydrophobicContact CG1-CD2 4.1Å; F230-L242 HydrophobicContact CD2-CD1 3.91Å; F230-L242 HydrophobicContact CE2-CD1 3.84Å; F230-L242 HydrophobicContact CE2-CD2 3.96Å; F230-L242 HydrophobicContact CE2-CG 4.23Å; F230-L242 HydrophobicContact CZ-CD2 4.48Å; V238-L242 HydrophobicContact CG1-CB 4.15Å; V238-L242 HydrophobicContact CG1-CD1 4.01Å; P239-L242 HydrophobicContact CB-CG 4.44Å; P239-L242 HydrophobicContact CG-CD1 4.33Å; P239-L242 WeakPolarHBondContact O-CB 3.47Å; P239-L242 PolarHBondContact O-N 2.99Å; D240-L242 PolarHBondContact O-N 3.17Å; L242-K244 PolarHBondContact O-N 3.36Å; L242-L245 HydrophobicContact CD2-CD1 3.75Å; L242-L245 PolarHBondContact O-N 3.29Å; L242-L251 HydrophobicContact CD1-CD1 4.37Å; L242-L253 HydrophobicContact CD1-CD2 4.26Å; L242-W268 PolarHBondContact O-NE1 2.82Å |
| 243 | Y | 89 | Confident | 91.4 | Very high | 30 Ų | 30 | 52.1 Ų | 52.1 | 12% | 0.118 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.7 | -24.7 | 178.4 | -67.5 | -60.7 | 0 | 0 | 0 | 112.4 | V238 D240 L245 E262 M263 C267 W268 | V238-Y243 HydrophobicContact CB-CE1 4.43Å; V238-Y243 HydrophobicContact CB-CE2 3.95Å; V238-Y243 WeakPolarHBondContact CB-OH 3.44Å; V238-Y243 HydrophobicContact CG1-CE1 4.14Å; V238-Y243 HydrophobicContact CG1-CE2 4Å; D240-Y243 PolarHBondContact O-N 2.56Å; Y243-L245 VanDerWaalsContact C-N 3.33Å; Y243-L245 PolarHBondContact O-N 3.43Å; Y243-E262 PolarHBondContact OH-N 3.29Å; Y243-M263 HydrophobicContact CD1-CG 4.42Å; Y243-M263 HydrophobicContact CE1-CG 3.8Å; Y243-C267 WeakPolarHBondContact O-CB 3.37Å; Y243-W268 AromaticContact CD1-CH2 3.95Å; Y243-W268 HydrophobicContact CD1-CH2 3.95Å; Y243-W268 AromaticContact CD1-CZ2 3.56Å; Y243-W268 HydrophobicContact CD1-CZ2 3.56Å; Y243-W268 AromaticContact CE1-CH2 3.77Å; Y243-W268 HydrophobicContact CE1-CH2 3.77Å; Y243-W268 AromaticContact CE1-CZ2 3.84Å; Y243-W268 HydrophobicContact CE1-CZ2 3.84Å |
| 244 | K | 88.7 | Confident | 91.5 | Very high | 122 Ų | 122 | 51.8 Ų | 51.8 | 53% | 0.53 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -11.5 | 179.1 | -63.1 | -178.2 | -175.4 | 178.4 | 0 | 114.2 | D220 A241 L242 Q246 | D220-K244 HydrophobicContact CB-CB 4.04Å; D220-K244 HydrophobicContact CB-CD 3.63Å; D220-K244 HydrophobicContact CB-CG 4.49Å; D220-K244 IonicContact OD2-NZ 2.66Å; D220-K244 PolarHBondContact OD2-NZ 2.64Å; A241-K244 PolarHBondContact O-N 2.99Å; L242-K244 PolarHBondContact O-N 3.36Å; K244-Q246 PolarHBondContact O-N 3.09Å; K244-Q246 VanDerWaalsContact O-N 3.15Å |
| 245 | L | 91.1 | Very high | 91.7 | Very high | 4 Ų | 4 | 50.9 Ų | 50.9 | 2% | 0.021 | 24% | 0.235 | C | C | . | . | trans | -76.1 | 98.9 | -175.6 | -63.5 | 173.7 | 0 | 0 | 0 | 112.5 | L219 L225 V228 L242 Y243 N247 L248 | L219-L245 WeakPolarHBondContact O-CD2 3.2Å; L225-L245 HydrophobicContact CB-CD2 4.23Å; L225-L245 HydrophobicContact CD2-CD1 3.8Å; L225-L245 HydrophobicContact CD2-CD2 4.38Å; V228-L245 HydrophobicContact CG2-CD1 4.45Å; L242-L245 HydrophobicContact CD2-CD1 3.75Å; L242-L245 PolarHBondContact O-N 3.29Å; Y243-L245 VanDerWaalsContact C-N 3.33Å; Y243-L245 PolarHBondContact O-N 3.43Å; L245-N247 PolarHBondContact O-N 3.48Å; L245-L248 HydrophobicContact CB-CB 4.26Å; L245-L248 HydrophobicContact CD1-CD1 4.37Å | ||
| 246 | Q | 89.6 | Confident | 91.8 | Very high | 101 Ų | 101 | 51.4 Ų | 51.4 | 47% | 0.472 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -22.5 | -175.8 | -62.6 | -59 | -31.9 | 0 | 0 | 114.7 | K244 | K244-Q246 PolarHBondContact O-N 3.09Å; K244-Q246 VanDerWaalsContact O-N 3.15Å |
| 247 | N | 93.2 | Very high | 91.9 | Very high | 48 Ų | 48 | 46.7 Ų | 46.7 | 26% | 0.257 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | 4.1 | -176.5 | -73.8 | -41 | 0 | 0 | 0 | 114.4 | V223 L225 L245 R249 K270 | V223-N247 WeakPolarHBondContact O-CB 3.37Å; V223-N247 PolarHBondContact O-ND2 2.82Å; L225-N247 CarbonylContact O-C 3.49Å; L245-N247 PolarHBondContact O-N 3.48Å; N247-R249 PolarHBondContact O-N 3.39Å; N247-K270 PolarHBondContact OD1-NZ 2.83Å |
| 248 | L | 94.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | trans | -64.7 | 126.6 | -176.3 | -160.5 | 68.3 | 0 | 0 | 0 | 111.8 | L225 V228 L245 L251 W268 K270 L271 | L225-L248 PolarHBondContact O-N 2.95Å; V228-L248 HydrophobicContact CB-CD1 4.13Å; V228-L248 HydrophobicContact CG2-CD1 3.63Å; L245-L248 HydrophobicContact CB-CB 4.26Å; L245-L248 HydrophobicContact CD1-CD1 4.37Å; L248-L251 HydrophobicContact CD2-CB 3.85Å; L248-L251 HydrophobicContact CD2-CD1 4.19Å; L248-L251 HydrophobicContact CD2-CD2 3.96Å; L248-L251 HydrophobicContact CD2-CG 4.21Å; L248-W268 HydrophobicContact CD2-CD2 4.45Å; L248-W268 HydrophobicContact CD2-CG 4.19Å; L248-K270 CarbonylContact O-C 3.6Å; L248-K270 VanDerWaalsContact O-C 3.27Å; L248-L271 HydrophobicContact CB-CD1 4.34Å; L248-L271 HydrophobicContact CD2-CD1 4.1Å; L248-L271 HydrophobicContact CG-CD1 3.95Å; L248-L271 WeakPolarHBondContact O-CA 3.34Å; L248-L271 PolarHBondContact O-N 2.95Å | ||
| 249 | R | 95.2 | Very high | 92.1 | Very high | 95 Ų | 95 | 44.1 Ų | 44.1 | 36% | 0.358 | 22% | 0.217 | S | C | . | . | trans | -109.6 | -32.7 | 177.2 | -65.8 | -177.5 | 178.2 | -88.6 | -0.1 | 112.2 | E226 N247 K270 E272 V273 | E226-R249 WeakPolarHBondContact O-CA 3.14Å; E226-R249 PolarHBondContact O-N 3.05Å; N247-R249 PolarHBondContact O-N 3.39Å; R249-K270 HydrophobicContact CG-CB 4.49Å; R249-E272 IonicContact NH1-OE1 3.38Å; R249-E272 PolarHBondContact NH1-OE1 2.77Å; R249-E272 PolarHBondContact O-N 2.84Å; R249-V273 PolarHBondContact O-N 3.21Å; R249-V273 VanDerWaalsContact O-N 3.08Å | ||
| 250 | R | 96.8 | Very high | 92.1 | Very high | 133 Ų | 133 | 45.1 Ų | 45.1 | 50% | 0.502 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 128.2 | -178.9 | -59.1 | -174.1 | 177.7 | 166.8 | 1.6 | 110.4 | E226 D227 V228 V273 | E226-R250 PolarHBondContact O-N 3.35Å; D227-R250 WeakPolarHBondContact CA-O 3.41Å; D227-R250 HydrophobicContact CB-CB 4.31Å; D227-R250 WeakPolarHBondContact OD2-CD 3.19Å; D227-R250 IonicContact OD2-NH1 3.88Å; V228-R250 PolarHBondContact N-O 3.21Å; R250-V273 WeakPolarHBondContact CA-O 3.4Å; R250-V273 HydrophobicContact CB-CB 4.31Å; R250-V273 HydrophobicContact CG-CB 4Å; R250-V273 HydrophobicContact CG-CG2 3.99Å |
| 251 | L | 96.1 | Very high | 92.1 | Very high | 3 Ų | 3 | 39.5 Ų | 39.5 | 2% | 0.016 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 118.4 | 177.4 | -178.2 | 56 | 0 | 0 | 0 | 110.2 | V228 L242 L248 L253 W268 L271 V273 L274 N275 | V228-L251 HydrophobicContact CB-CD1 4.1Å; V228-L251 HydrophobicContact CG1-CD1 4.18Å; L242-L251 HydrophobicContact CD1-CD1 4.37Å; L248-L251 HydrophobicContact CD2-CB 3.85Å; L248-L251 HydrophobicContact CD2-CD1 4.19Å; L248-L251 HydrophobicContact CD2-CD2 3.96Å; L248-L251 HydrophobicContact CD2-CG 4.21Å; L251-L253 HydrophobicContact CD1-CD1 4.23Å; L251-L253 HydrophobicContact CD1-CD2 4.26Å; L251-L253 HydrophobicContact CD1-CG 3.94Å; L251-L253 HydrophobicContact CD2-CD1 3.86Å; L251-L253 HydrophobicContact CD2-CG 4.42Å; L251-L253 HydrophobicContact CG-CD1 3.99Å; L251-L253 HydrophobicContact CG-CG 3.99Å; L251-W268 HydrophobicContact CD2-CD2 4.33Å; L251-W268 HydrophobicContact CD2-CE3 4.3Å; L251-W268 HydrophobicContact CD2-CH2 3.5Å; L251-W268 HydrophobicContact CD2-CZ2 3.49Å; L251-W268 VanDerWaalsContact CD2-CZ2 3.49Å; L251-W268 HydrophobicContact CD2-CZ3 3.92Å; L251-L271 HydrophobicContact CB-CD1 4.04Å; L251-V273 PolarHBondContact N-O 3.31Å; L251-L274 HydrophobicContact CB-CD1 4.12Å; L251-L274 HydrophobicContact CD2-CD1 4.05Å; L251-L274 HydrophobicContact CG-CD1 4.19Å; L251-N275 PolarHBondContact O-N 3.25Å |
| 252 | N | 95.2 | Very high | 91.9 | Very high | 31 Ų | 31 | 45 Ų | 45 | 17% | 0.166 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 112 | 175 | -174.2 | 11.9 | 0 | 0 | 0 | 110.5 | V228 D229 F230 S231 S254 N275 | V228-N252 PolarHBondContact O-N 3.24Å; D229-N252 HydrophobicContact CB-CB 4.24Å; D229-N252 VanDerWaalsContact CG-ND2 3.33Å; D229-N252 PolarHBondContact OD1-ND2 3.17Å; D229-N252 PolarHBondContact OD2-ND2 3.33Å; F230-N252 PolarHBondContact N-O 2.82Å; S231-N252 PolarHBondContact N-O 3.45Å; S231-N252 PolarHBondContact OG-ND2 2.93Å; N252-S254 WeakPolarHBondContact OD1-CB 3.28Å; N252-S254 PolarHBondContact OD1-N 3.34Å; N252-S254 PolarHBondContact OD1-OG 2.98Å; N252-N275 HydrophobicContact CB-CB 4.47Å; N252-N275 PolarHBondContact OD1-ND2 3.04Å |
| 253 | L | 94.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | trans | -120.8 | 19.8 | 178 | -66.9 | 169.8 | 0 | 0 | 0 | 111.1 | F230 L235 V238 L242 L251 N256 I258 N275 L276 N279 | F230-L253 HydrophobicContact CB-CD2 4.1Å; F230-L253 HydrophobicContact CD2-CD2 4.42Å; L235-L253 HydrophobicContact CD1-CD2 4.29Å; V238-L253 HydrophobicContact CG1-CD1 4.22Å; V238-L253 HydrophobicContact CG2-CD1 3.71Å; L242-L253 HydrophobicContact CD1-CD2 4.26Å; L251-L253 HydrophobicContact CD1-CD1 4.23Å; L251-L253 HydrophobicContact CD1-CD2 4.26Å; L251-L253 HydrophobicContact CD1-CG 3.94Å; L251-L253 HydrophobicContact CD2-CD1 3.86Å; L251-L253 HydrophobicContact CD2-CG 4.42Å; L251-L253 HydrophobicContact CG-CD1 3.99Å; L251-L253 HydrophobicContact CG-CG 3.99Å; L253-N256 PolarHBondContact O-ND2 3.4Å; L253-I258 HydrophobicContact CB-CD1 3.96Å; L253-I258 HydrophobicContact CD1-CD1 4.29Å; L253-N275 CarbonylContact C-O 3.43Å; L253-N275 PolarHBondContact N-O 3.06Å; L253-L276 HydrophobicContact CB-CD2 4.17Å; L253-L276 HydrophobicContact CD1-CD2 4.05Å; L253-N279 PolarHBondContact O-ND2 3.44Å | ||
| 254 | S | 95.1 | Very high | 90.3 | Very high | 8 Ų | 8 | 53 Ų | 53 | 6% | 0.056 | 26% | 0.258 | C | S | . | . | trans | -67.7 | 153.4 | -176.5 | 59.2 | 0 | 0 | 0 | 0 | 113.2 | S231 C232 N252 N256 N275 S277 | S231-S254 CarbonylContact C-O 3.4Å; S231-S254 WeakPolarHBondContact CA-O 3.28Å; S231-S254 WeakPolarHBondContact CB-O 3.18Å; S231-S254 WeakPolarHBondContact CB-OG 3.24Å; C232-S254 PolarHBondContact N-O 2.91Å; N252-S254 WeakPolarHBondContact OD1-CB 3.28Å; N252-S254 PolarHBondContact OD1-N 3.34Å; N252-S254 PolarHBondContact OD1-OG 2.98Å; S254-N256 PolarHBondContact O-ND2 2.91Å; S254-N275 PolarHBondContact N-O 3.14Å; S254-N275 PolarHBondContact OG-ND2 3.01Å; S254-S277 CarbonylContact C-O 3.59Å; S254-S277 WeakPolarHBondContact CA-O 3.43Å; S254-S277 WeakPolarHBondContact CB-O 3.21Å | ||
| 255 | Q | 94.1 | Very high | 89.5 | Confident | 66 Ų | 66 | 50.8 Ų | 50.8 | 31% | 0.308 | 26% | 0.258 | S | S | . | . | S | Bend | trans | 57.2 | 59.2 | -177.8 | -63.7 | -179.5 | 48.4 | 0 | 0 | 111.9 | C232 N233 S277 R278 | C232-Q255 CarbonylContact C-O 3.58Å; C232-Q255 WeakPolarHBondContact CA-O 3.44Å; C232-Q255 HydrophobicContact CB-CB 4.34Å; C232-Q255 PolarHBondContact N-O 2.8Å; C232-Q255 VanDerWaalsContact N-O 3.12Å; C232-Q255 PolarHBondContact SG-OE1 2.69Å; N233-Q255 PolarHBondContact N-O 3.02Å; N233-Q255 VanDerWaalsContact N-O 3.17Å; Q255-S277 PolarHBondContact N-O 2.89Å; Q255-R278 WeakPolarHBondContact CA-O 3.33Å; Q255-R278 HydrophobicContact CB-CB 4.34Å; Q255-R278 HydrophobicContact CG-CB 3.67Å; Q255-R278 HydrophobicContact CG-CG 4.09Å; Q255-R278 PolarHBondContact N-O 2.82Å; Q255-R278 VanDerWaalsContact N-O 3.13Å |
| 256 | N | 93.9 | Very high | 88.7 | Confident | 11 Ų | 11 | 55.2 Ų | 55.2 | 6% | 0.059 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -132.1 | -176.3 | 171.1 | -78.8 | -77 | 0 | 0 | 0 | 109.1 | F230 N233 L235 L253 S254 I258 R278 N279 | F230-N256 PolarHBondContact O-ND2 3.39Å; N233-N256 VanDerWaalsContact CA-OD1 3.31Å; N233-N256 WeakPolarHBondContact CA-OD1 3.16Å; N233-N256 VanDerWaalsContact CB-OD1 3.23Å; N233-N256 WeakPolarHBondContact CB-OD1 3.33Å; N233-N256 PolarHBondContact N-OD1 3.44Å; N233-N256 WeakPolarHBondContact O-CA 3.07Å; N233-N256 PolarHBondContact O-OD1 3.22Å; L235-N256 HydrophobicContact CB-CB 4.12Å; L235-N256 WeakPolarHBondContact CB-OD1 3.4Å; L235-N256 WeakPolarHBondContact CG-OD1 3.41Å; L235-N256 PolarHBondContact N-OD1 2.93Å; L235-N256 VanDerWaalsContact N-OD1 3.12Å; L253-N256 PolarHBondContact O-ND2 3.4Å; S254-N256 PolarHBondContact O-ND2 2.91Å; N256-I258 HydrophobicContact CB-CD1 4.11Å; N256-I258 HydrophobicContact CB-CG1 3.96Å; N256-R278 PolarHBondContact N-O 3.13Å; N256-R278 VanDerWaalsContact N-O 3.11Å; N256-N279 WeakPolarHBondContact CA-OD1 3.47Å; N256-N279 WeakPolarHBondContact CB-OD1 3.36Å; N256-N279 PolarHBondContact N-OD1 3.38Å; N256-N279 PolarHBondContact O-OD1 2.76Å; N256-N279 VanDerWaalsContact O-OD1 3.05Å |
| 257 | S | 91.9 | Very high | 88.4 | Confident | 39 Ų | 39 | 50.7 Ų | 50.7 | 27% | 0.273 | 26% | 0.261 | S | S | . | . | trans | -101.3 | 24.3 | -180 | -62.6 | 0 | 0 | 0 | 0 | 112.4 | D234 L235 S259 N280 | D234-S257 PolarHBondContact OD1-OG 3.08Å; L235-S257 CarbonylContact O-C 3.52Å; L235-S257 VanDerWaalsContact O-CA 3.3Å; L235-S257 WeakPolarHBondContact O-CA 3.35Å; L235-S257 PolarHBondContact O-N 2.88Å; S257-S259 PolarHBondContact O-N 3.17Å; S257-N280 PolarHBondContact O-ND2 2.83Å | ||
| 258 | I | 94 | Very high | 88.3 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | trans | -69.4 | 120.8 | -168.9 | -57.7 | 168 | 0 | 0 | 0 | 110.9 | L235 K236 V238 L253 N256 A260 N279 N280 L281 | L235-I258 HydrophobicContact CB-CG1 4.42Å; L235-I258 WeakPolarHBondContact O-CG1 3.12Å; L235-I258 PolarHBondContact O-N 3.07Å; L235-I258 VanDerWaalsContact O-N 3.16Å; K236-I258 WeakPolarHBondContact O-CA 3.49Å; V238-I258 HydrophobicContact CG2-CD1 4.01Å; V238-I258 HydrophobicContact CG2-CG2 4.36Å; L253-I258 HydrophobicContact CB-CD1 3.96Å; L253-I258 HydrophobicContact CD1-CD1 4.29Å; N256-I258 HydrophobicContact CB-CD1 4.11Å; N256-I258 HydrophobicContact CB-CG1 3.96Å; I258-A260 WeakPolarHBondContact CG2-O 3.45Å; I258-N279 HydrophobicContact CB-CB 4.25Å; I258-N279 WeakPolarHBondContact CB-OD1 3.47Å; I258-N279 WeakPolarHBondContact CG1-OD1 3.49Å; I258-N279 PolarHBondContact N-OD1 2.78Å; I258-N279 VanDerWaalsContact N-OD1 3.12Å; I258-N280 CarbonylContact O-C 3.53Å; I258-N280 VanDerWaalsContact O-C 3.29Å; I258-N280 VanDerWaalsContact O-CA 3.32Å; I258-N280 WeakPolarHBondContact O-CA 3.33Å; I258-N280 PolarHBondContact O-N 2.8Å; I258-L281 HydrophobicContact CG2-CD2 3.96Å; I258-L281 PolarHBondContact O-N 3.45Å | ||
| 259 | S | 90.4 | Very high | 88.1 | Confident | 73 Ų | 73 | 51.8 Ų | 51.8 | 51% | 0.51 | 27% | 0.27 | S | S | . | . | trans | -90.2 | -33.8 | -177.7 | 56.5 | 0 | 0 | 0 | 0 | 114.1 | K236 S257 | K236-S259 PolarHBondContact O-N 2.95Å; S257-S259 PolarHBondContact O-N 3.17Å | ||
| 260 | A | 88 | Confident | 88 | Confident | 43 Ų | 43 | 51.4 Ų | 51.4 | 36% | 0.355 | 27% | 0.271 | S | S | . | . | trans | -151 | 159.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | I258 | I258-A260 WeakPolarHBondContact CG2-O 3.45Š| ||
| 261 | L | 87.9 | Confident | 87.9 | Confident | 14 Ų | 14 | 45.1 Ų | 45.1 | 7% | 0.073 | 25% | 0.248 | C | C | . | . | trans | -112.9 | 98 | 172.7 | -71.9 | 165.1 | 0 | 0 | 0 | 109.2 | V238 M263 L276 L281 L284 P285 | V238-L261 HydrophobicContact CG2-CD2 3.48Å; V238-L261 VanDerWaalsContact CG2-CD2 3.48Å; L261-M263 PolarHBondContact O-N 3.27Å; L261-M263 VanDerWaalsContact O-N 3.14Å; L261-L276 HydrophobicContact CD1-CD1 3.5Å; L261-L276 HydrophobicContact CD1-CD2 4.1Å; L261-L276 HydrophobicContact CD1-CG 4.44Å; L261-L276 HydrophobicContact CD2-CD2 4.14Å; L261-L281 HydrophobicContact CD1-CD1 4.19Å; L261-L281 HydrophobicContact CD1-CD2 4.38Å; L261-L281 HydrophobicContact CG-CD2 4.07Å; L261-L284 HydrophobicContact CD1-CD2 4.24Å; L261-P285 HydrophobicContact CB-CG 3.95Å | ||
| 262 | E | 81.6 | Confident | 87.9 | Confident | 123 Ų | 123 | 47.1 Ų | 47.1 | 58% | 0.575 | 26% | 0.257 | S | S | * | . | trans | -85.3 | 81.1 | -179.5 | -60.9 | -168.6 | 171.5 | 0 | 0 | 111.2 | Y243 F264 | Y243-E262 PolarHBondContact OH-N 3.29Å; E262-F264 HydrophobicContact CB-CD2 4.48Å; E262-F264 HydrophobicContact CB-CE2 3.74Å; E262-F264 HydrophobicContact CB-CZ 4.05Å; E262-F264 PolarHBondContact O-N 3.08Å | ||
| 263 | M | 77 | Confident | 88 | Confident | 19 Ų | 19 | 47 Ų | 47 | 9% | 0.094 | 26% | 0.257 | C | S | . | . | trans | -95.5 | 86.7 | 179.8 | -69.1 | 176.8 | 66.4 | 0 | 0 | 111.6 | Y243 L261 S265 C267 W268 P285 T287 M291 | Y243-M263 HydrophobicContact CD1-CG 4.42Å; Y243-M263 HydrophobicContact CE1-CG 3.8Å; L261-M263 PolarHBondContact O-N 3.27Å; L261-M263 VanDerWaalsContact O-N 3.14Å; M263-S265 VanDerWaalsContact C-N 3.31Å; M263-S265 PolarHBondContact O-N 3.25Å; M263-C267 WeakPolarHBondContact CE-SG 3.38Å; M263-W268 HydrophobicContact CE-CZ3 4.49Å; M263-W268 HydrophobicContact SD-CZ3 4.36Å; M263-P285 HydrophobicContact CB-CB 4.49Å; M263-P285 HydrophobicContact CB-CG 4.29Å; M263-P285 HydrophobicContact CG-CG 4.13Å; M263-P285 HydrophobicContact SD-CG 3.62Å; M263-T287 PolarHBondContact O-OG1 3.22Å; M263-M291 HydrophobicContact CE-CE 3.19Å; M263-M291 HydrophobicContact SD-CE 4.05Å | ||
| 264 | F | 67.9 | Low | 88 | Confident | 181 Ų | 181 | 47 Ų | 47 | 79% | 0.794 | 26% | 0.257 | S | S | * | . | trans | -75.4 | -13.6 | 179.2 | -59 | -76 | 0 | 0 | 0 | 114.7 | E262 | E262-F264 HydrophobicContact CB-CD2 4.48Å; E262-F264 HydrophobicContact CB-CE2 3.74Å; E262-F264 HydrophobicContact CB-CZ 4.05Å; E262-F264 PolarHBondContact O-N 3.08Å | ||
| 265 | S | 70.9 | Confident | 88.1 | Confident | 75 Ų | 75 | 48.1 Ų | 48.1 | 52% | 0.524 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -138 | 167.2 | -177.5 | 59.1 | 0 | 0 | 0 | 0 | 112 | M263 C267 | M263-S265 VanDerWaalsContact C-N 3.31Å; M263-S265 PolarHBondContact O-N 3.25Å; S265-C267 VanDerWaalsContact C-N 3.28Å; S265-C267 PolarHBondContact O-N 3.23Å |
| 266 | D | 74.9 | Confident | 88.1 | Confident | 96 Ų | 96 | 45 Ų | 45 | 51% | 0.513 | 25% | 0.248 | S | C | . | . | trans | -69.5 | 83.9 | 173.6 | -73.2 | -22.6 | 0 | 0 | 0 | 110.2 | R290 | D266-R290 WeakPolarHBondContact OD1-CD 3.23Å; D266-R290 IonicContact OD1-CZ 3.63Å; D266-R290 IonicContact OD1-NE 3.97Å; D266-R290 IonicContact OD1-NH1 2.74Å; D266-R290 PolarHBondContact OD1-NH1 3.19Å; D266-R290 IonicContact OD2-NH1 3.7Å; D266-R290 PolarHBondContact OD2-NH1 2.95Å | ||
| 267 | C | 82.9 | Confident | 88.2 | Confident | 7 Ų | 7 | 45.1 Ų | 45.1 | 5% | 0.047 | 25% | 0.249 | C | C | . | . | trans | -94.5 | 151.6 | 175.9 | 56.1 | 0 | 0 | 0 | 0 | 112.6 | Y243 M263 S265 | Y243-C267 WeakPolarHBondContact O-CB 3.37Å; M263-C267 WeakPolarHBondContact CE-SG 3.38Å; S265-C267 VanDerWaalsContact C-N 3.28Å; S265-C267 PolarHBondContact O-N 3.23Å | ||
| 268 | W | 91 | Very high | 88.3 | Confident | 1 Ų | 1 | 48.6 Ų | 48.6 | 0% | 0.004 | 26% | 0.257 | C | S | . | . | trans | 56.7 | 57.2 | 179.9 | -38.5 | -45.4 | 0 | 0 | 0 | 115.8 | L242 Y243 L248 L251 M263 K270 L271 L274 M291 | L242-W268 PolarHBondContact O-NE1 2.82Å; Y243-W268 AromaticContact CD1-CH2 3.95Å; Y243-W268 HydrophobicContact CD1-CH2 3.95Å; Y243-W268 AromaticContact CD1-CZ2 3.56Å; Y243-W268 HydrophobicContact CD1-CZ2 3.56Å; Y243-W268 AromaticContact CE1-CH2 3.77Å; Y243-W268 HydrophobicContact CE1-CH2 3.77Å; Y243-W268 AromaticContact CE1-CZ2 3.84Å; Y243-W268 HydrophobicContact CE1-CZ2 3.84Å; L248-W268 HydrophobicContact CD2-CD2 4.45Å; L248-W268 HydrophobicContact CD2-CG 4.19Å; L251-W268 HydrophobicContact CD2-CD2 4.33Å; L251-W268 HydrophobicContact CD2-CE3 4.3Å; L251-W268 HydrophobicContact CD2-CH2 3.5Å; L251-W268 HydrophobicContact CD2-CZ2 3.49Å; L251-W268 VanDerWaalsContact CD2-CZ2 3.49Å; L251-W268 HydrophobicContact CD2-CZ3 3.92Å; M263-W268 HydrophobicContact CE-CZ3 4.49Å; M263-W268 HydrophobicContact SD-CZ3 4.36Å; W268-K270 PolarHBondContact O-N 3.22Å; W268-L271 HydrophobicContact CB-CB 3.78Å; W268-L271 HydrophobicContact CB-CD1 4.22Å; W268-L271 HydrophobicContact CB-CD2 4.25Å; W268-L271 HydrophobicContact CB-CG 4.31Å; W268-L271 HydrophobicContact CD2-CD2 4.37Å; W268-L271 HydrophobicContact CE3-CD2 3.8Å; W268-L271 WeakPolarHBondContact O-CB 3.35Å; W268-L271 PolarHBondContact O-N 2.94Å; W268-L271 VanDerWaalsContact O-N 3.07Å; W268-L274 HydrophobicContact CZ3-CD1 4.44Å; W268-M291 HydrophobicContact CD2-CE 4.45Å; W268-M291 HydrophobicContact CE3-CE 3.43Å; W268-M291 VanDerWaalsContact CE3-CE 3.43Å; W268-M291 HydrophobicContact CE3-SD 4.39Å; W268-M291 HydrophobicContact CZ3-CE 3.97Å | ||
| 269 | P | 89.8 | Confident | 88.3 | Confident | 69 Ų | 69 | 48.9 Ų | 48.9 | 45% | 0.448 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -20.9 | -179.1 | 26.3 | -35.5 | 0 | 0 | 0 | 113.9 | ||
| 270 | K | 93 | Very high | 88.4 | Confident | 88 Ų | 88 | 49.4 Ų | 49.4 | 38% | 0.383 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | 6.2 | -178.9 | -62 | -177.9 | -174.6 | 172.3 | 0 | 113.7 | N247 L248 R249 W268 E272 | N247-K270 PolarHBondContact OD1-NZ 2.83Å; L248-K270 CarbonylContact O-C 3.6Å; L248-K270 VanDerWaalsContact O-C 3.27Å; R249-K270 HydrophobicContact CG-CB 4.49Å; W268-K270 PolarHBondContact O-N 3.22Å; K270-E272 PolarHBondContact O-N 3.24Å |
| 271 | L | 95.3 | Very high | 88.7 | Confident | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | trans | -67.5 | 127.7 | -174.5 | -154.7 | 72.7 | 0 | 0 | 0 | 112 | L248 L251 W268 L274 M291 K293 L294 | L248-L271 HydrophobicContact CB-CD1 4.34Å; L248-L271 HydrophobicContact CD2-CD1 4.1Å; L248-L271 HydrophobicContact CG-CD1 3.95Å; L248-L271 WeakPolarHBondContact O-CA 3.34Å; L248-L271 PolarHBondContact O-N 2.95Å; L251-L271 HydrophobicContact CB-CD1 4.04Å; W268-L271 HydrophobicContact CB-CB 3.78Å; W268-L271 HydrophobicContact CB-CD1 4.22Å; W268-L271 HydrophobicContact CB-CD2 4.25Å; W268-L271 HydrophobicContact CB-CG 4.31Å; W268-L271 HydrophobicContact CD2-CD2 4.37Å; W268-L271 HydrophobicContact CE3-CD2 3.8Å; W268-L271 WeakPolarHBondContact O-CB 3.35Å; W268-L271 PolarHBondContact O-N 2.94Å; W268-L271 VanDerWaalsContact O-N 3.07Å; L271-L274 HydrophobicContact CD2-CB 3.81Å; L271-L274 HydrophobicContact CD2-CD1 4.12Å; L271-L274 HydrophobicContact CD2-CD2 4.24Å; L271-L274 HydrophobicContact CD2-CG 4.27Å; L271-M291 HydrophobicContact CB-SD 4.43Å; L271-M291 HydrophobicContact CD2-SD 3.86Å; L271-K293 CarbonylContact O-C 3.39Å; L271-L294 HydrophobicContact CD2-CD1 4.17Å; L271-L294 HydrophobicContact CG-CD1 4.32Å; L271-L294 WeakPolarHBondContact O-CA 3.36Å; L271-L294 PolarHBondContact O-N 3.2Å; L271-L294 VanDerWaalsContact O-N 3.11Å | ||
| 272 | E | 95.8 | Very high | 88.9 | Confident | 45 Ų | 45 | 55.5 Ų | 55.5 | 21% | 0.21 | 27% | 0.268 | C | S | . | . | trans | -109.3 | -32.2 | 177.5 | -64.9 | 176.2 | -154 | 0 | 0 | 111.6 | R249 K270 R295 L296 | R249-E272 IonicContact NH1-OE1 3.38Å; R249-E272 PolarHBondContact NH1-OE1 2.77Å; R249-E272 PolarHBondContact O-N 2.84Å; K270-E272 PolarHBondContact O-N 3.24Å; E272-R295 PolarHBondContact O-N 3.32Å; E272-L296 PolarHBondContact O-N 3.17Å | ||
| 273 | V | 96.9 | Very high | 89.4 | Confident | 27 Ų | 27 | 52.8 Ų | 52.8 | 16% | 0.164 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 122.1 | -176.1 | -173.8 | 0 | 0 | 0 | 0 | 110.2 | R249 R250 L251 L296 F298 | R249-V273 PolarHBondContact O-N 3.21Å; R249-V273 VanDerWaalsContact O-N 3.08Å; R250-V273 WeakPolarHBondContact CA-O 3.4Å; R250-V273 HydrophobicContact CB-CB 4.31Å; R250-V273 HydrophobicContact CG-CB 4Å; R250-V273 HydrophobicContact CG-CG2 3.99Å; L251-V273 PolarHBondContact N-O 3.31Å; V273-L296 HydrophobicContact CB-CB 4.42Å; V273-L296 HydrophobicContact CG1-CB 4.06Å; V273-L296 HydrophobicContact CG1-CD1 4.29Å; V273-L296 HydrophobicContact CG2-CB 4.22Å; V273-L296 HydrophobicContact CG2-CD1 3.78Å; V273-L296 HydrophobicContact CG2-CG 4.28Å; V273-F298 HydrophobicContact CG1-CE2 4.34Å |
| 274 | L | 96 | Very high | 90.1 | Very high | 2 Ų | 2 | 52.3 Ų | 52.3 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 118.9 | 174.2 | -177.1 | 56.3 | 0 | 0 | 0 | 109.9 | L251 W268 L271 L276 I288 L294 L296 L297 F298 | L251-L274 HydrophobicContact CB-CD1 4.12Å; L251-L274 HydrophobicContact CD2-CD1 4.05Å; L251-L274 HydrophobicContact CG-CD1 4.19Å; W268-L274 HydrophobicContact CZ3-CD1 4.44Å; L271-L274 HydrophobicContact CD2-CB 3.81Å; L271-L274 HydrophobicContact CD2-CD1 4.12Å; L271-L274 HydrophobicContact CD2-CD2 4.24Å; L271-L274 HydrophobicContact CD2-CG 4.27Å; L274-L276 HydrophobicContact CD1-CD1 4.27Å; L274-L276 HydrophobicContact CD1-CD2 4.3Å; L274-L276 HydrophobicContact CD1-CG 4.03Å; L274-L276 HydrophobicContact CD2-CD1 3.84Å; L274-L276 HydrophobicContact CD2-CG 4.48Å; L274-L276 HydrophobicContact CG-CD1 3.89Å; L274-L276 HydrophobicContact CG-CG 4.01Å; L274-I288 HydrophobicContact CD2-CD1 3.95Å; L274-I288 HydrophobicContact CD2-CG1 4.5Å; L274-L294 HydrophobicContact CB-CD1 3.87Å; L274-L296 PolarHBondContact N-O 3.12Å; L274-L297 HydrophobicContact CB-CD1 4.14Å; L274-L297 HydrophobicContact CD2-CD1 4.1Å; L274-L297 HydrophobicContact CG-CD1 4.2Å; L274-F298 PolarHBondContact O-N 3.29Å |
| 275 | N | 96 | Very high | 91.2 | Very high | 31 Ų | 31 | 44.9 Ų | 44.9 | 17% | 0.166 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 113.1 | 175.4 | -172.9 | 5.7 | 0 | 0 | 0 | 111.1 | L251 N252 L253 S254 S277 F298 | L251-N275 PolarHBondContact O-N 3.25Å; N252-N275 HydrophobicContact CB-CB 4.47Å; N252-N275 PolarHBondContact OD1-ND2 3.04Å; L253-N275 CarbonylContact C-O 3.43Å; L253-N275 PolarHBondContact N-O 3.06Å; S254-N275 PolarHBondContact N-O 3.14Å; S254-N275 PolarHBondContact OG-ND2 3.01Å; N275-S277 WeakPolarHBondContact OD1-CB 3.04Å; N275-S277 PolarHBondContact OD1-N 2.64Å; N275-S277 VanDerWaalsContact OD1-N 3.09Å; N275-S277 PolarHBondContact OD1-OG 3.13Å; N275-F298 HydrophobicContact CB-CB 4.22Å; N275-F298 HydrophobicContact CB-CD2 4.05Å; N275-F298 WeakPolarHBondContact OD1-CB 3.33Å |
| 276 | L | 95.2 | Very high | 92 | Very high | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | trans | -120.4 | 16 | 179.5 | -63.9 | 161.3 | 0 | 0 | 0 | 111.2 | L253 L261 L274 N279 L281 L284 F298 V299 N302 | L253-L276 HydrophobicContact CB-CD2 4.17Å; L253-L276 HydrophobicContact CD1-CD2 4.05Å; L261-L276 HydrophobicContact CD1-CD1 3.5Å; L261-L276 HydrophobicContact CD1-CD2 4.1Å; L261-L276 HydrophobicContact CD1-CG 4.44Å; L261-L276 HydrophobicContact CD2-CD2 4.14Å; L274-L276 HydrophobicContact CD1-CD1 4.27Å; L274-L276 HydrophobicContact CD1-CD2 4.3Å; L274-L276 HydrophobicContact CD1-CG 4.03Å; L274-L276 HydrophobicContact CD2-CD1 3.84Å; L274-L276 HydrophobicContact CD2-CG 4.48Å; L274-L276 HydrophobicContact CG-CD1 3.89Å; L274-L276 HydrophobicContact CG-CG 4.01Å; L276-N279 PolarHBondContact O-ND2 2.76Å; L276-L281 HydrophobicContact CB-CD1 3.85Å; L276-L281 HydrophobicContact CD1-CD1 4.14Å; L276-L281 HydrophobicContact CD2-CD1 4.43Å; L276-L281 HydrophobicContact CG-CD1 4.37Å; L276-L284 HydrophobicContact CD1-CD2 4.1Å; L276-F298 PolarHBondContact N-O 3.37Å; L276-V299 HydrophobicContact CB-CG1 4.25Å; L276-V299 HydrophobicContact CD1-CG1 4.32Å; L276-N302 PolarHBondContact O-ND2 2.77Å | ||
| 277 | S | 95.3 | Very high | 92.6 | Very high | 12 Ų | 12 | 43.2 Ų | 43.2 | 8% | 0.084 | 22% | 0.216 | C | C | . | . | trans | -63.6 | 149.2 | -176.5 | -52.9 | 0 | 0 | 0 | 0 | 111.7 | S254 Q255 N275 F298 N300 | S254-S277 CarbonylContact C-O 3.59Å; S254-S277 WeakPolarHBondContact CA-O 3.43Å; S254-S277 WeakPolarHBondContact CB-O 3.21Å; Q255-S277 PolarHBondContact N-O 2.89Å; N275-S277 WeakPolarHBondContact OD1-CB 3.04Å; N275-S277 PolarHBondContact OD1-N 2.64Å; N275-S277 VanDerWaalsContact OD1-N 3.09Å; N275-S277 PolarHBondContact OD1-OG 3.13Å; S277-F298 PolarHBondContact N-O 2.74Å; S277-F298 WeakPolarHBondContact OG-CB 3.49Å; S277-N300 CarbonylContact C-O 3.49Å; S277-N300 WeakPolarHBondContact CA-O 3.32Å; S277-N300 WeakPolarHBondContact CB-O 3.35Å; S277-N300 PolarHBondContact OG-N 3.4Å; S277-N300 PolarHBondContact OG-ND2 3.22Å | ||
| 278 | R | 94.3 | Very high | 92.9 | Very high | 112 Ų | 112 | 43 Ų | 43 | 42% | 0.423 | 22% | 0.215 | S | C | . | . | S | Bend | trans | 60.4 | 60.3 | 179.5 | -60.6 | 175.6 | 179.8 | -176.4 | -3.4 | 111.4 | Q255 N256 N300 E301 | Q255-R278 WeakPolarHBondContact CA-O 3.33Å; Q255-R278 HydrophobicContact CB-CB 4.34Å; Q255-R278 HydrophobicContact CG-CB 3.67Å; Q255-R278 HydrophobicContact CG-CG 4.09Å; Q255-R278 PolarHBondContact N-O 2.82Å; Q255-R278 VanDerWaalsContact N-O 3.13Å; N256-R278 PolarHBondContact N-O 3.13Å; N256-R278 VanDerWaalsContact N-O 3.11Å; R278-N300 PolarHBondContact N-O 3.12Å; R278-E301 WeakPolarHBondContact CA-O 3.32Å; R278-E301 HydrophobicContact CB-CB 4.38Å; R278-E301 HydrophobicContact CG-CB 3.62Å; R278-E301 HydrophobicContact CG-CG 4.13Å; R278-E301 WeakPolarHBondContact CG-OE2 3.27Å; R278-E301 IonicContact CZ-OE1 2.98Å; R278-E301 IonicContact CZ-OE2 3.93Å; R278-E301 PolarHBondContact N-O 3.14Å; R278-E301 IonicContact NE-OE1 3.09Å; R278-E301 PolarHBondContact NE-OE1 3.06Å; R278-E301 IonicContact NE-OE2 3.34Å; R278-E301 PolarHBondContact NE-OE2 3.11Å; R278-E301 VanDerWaalsContact NE-OE2 3.11Å; R278-E301 IonicContact NH2-OE1 2.79Å; R278-E301 PolarHBondContact NH2-OE1 3.11Å; R278-E301 IonicContact NH2-OE2 3.11Å |
| 279 | N | 94.7 | Very high | 92.8 | Very high | 7 Ų | 7 | 43.4 Ų | 43.4 | 4% | 0.037 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -135.2 | -176.1 | 173.2 | -81 | -70.5 | 0 | 0 | 0 | 108.8 | L253 N256 I258 L276 L281 E301 N302 | L253-N279 PolarHBondContact O-ND2 3.44Å; N256-N279 WeakPolarHBondContact CA-OD1 3.47Å; N256-N279 WeakPolarHBondContact CB-OD1 3.36Å; N256-N279 PolarHBondContact N-OD1 3.38Å; N256-N279 PolarHBondContact O-OD1 2.76Å; N256-N279 VanDerWaalsContact O-OD1 3.05Å; I258-N279 HydrophobicContact CB-CB 4.25Å; I258-N279 WeakPolarHBondContact CB-OD1 3.47Å; I258-N279 WeakPolarHBondContact CG1-OD1 3.49Å; I258-N279 PolarHBondContact N-OD1 2.78Å; I258-N279 VanDerWaalsContact N-OD1 3.12Å; L276-N279 PolarHBondContact O-ND2 2.76Å; N279-L281 HydrophobicContact CB-CG 4.16Å; N279-E301 PolarHBondContact N-O 3.32Å; N279-N302 WeakPolarHBondContact CA-OD1 3.09Å; N279-N302 WeakPolarHBondContact CB-OD1 3.45Å; N279-N302 PolarHBondContact N-OD1 2.85Å; N279-N302 PolarHBondContact O-OD1 3.45Å |
| 280 | N | 93 | Very high | 92.7 | Very high | 84 Ų | 84 | 47.5 Ų | 47.5 | 45% | 0.449 | 22% | 0.224 | S | C | . | . | trans | -103.3 | 30.2 | 179.5 | -61.2 | -40.3 | 0 | 0 | 0 | 112.1 | S257 I258 R282 | S257-N280 PolarHBondContact O-ND2 2.83Å; I258-N280 CarbonylContact O-C 3.53Å; I258-N280 VanDerWaalsContact O-C 3.29Å; I258-N280 VanDerWaalsContact O-CA 3.32Å; I258-N280 WeakPolarHBondContact O-CA 3.33Å; I258-N280 PolarHBondContact O-N 2.8Å; N280-R282 PolarHBondContact O-N 2.91Å | ||
| 281 | L | 93.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | trans | -71.9 | 126 | -173.9 | -63.2 | 172.6 | 0 | 0 | 0 | 111.4 | I258 L261 L276 N279 L284 N302 D303 L304 | I258-L281 HydrophobicContact CG2-CD2 3.96Å; I258-L281 PolarHBondContact O-N 3.45Å; L261-L281 HydrophobicContact CD1-CD1 4.19Å; L261-L281 HydrophobicContact CD1-CD2 4.38Å; L261-L281 HydrophobicContact CG-CD2 4.07Å; L276-L281 HydrophobicContact CB-CD1 3.85Å; L276-L281 HydrophobicContact CD1-CD1 4.14Å; L276-L281 HydrophobicContact CD2-CD1 4.43Å; L276-L281 HydrophobicContact CG-CD1 4.37Å; N279-L281 HydrophobicContact CB-CG 4.16Å; L281-L284 HydrophobicContact CD1-CD2 4.26Å; L281-N302 HydrophobicContact CB-CB 4.29Å; L281-N302 WeakPolarHBondContact CB-OD1 3.18Å; L281-N302 WeakPolarHBondContact CG-OD1 3.12Å; L281-N302 PolarHBondContact N-OD1 3.4Å; L281-N302 VanDerWaalsContact N-OD1 3.11Å; L281-D303 CarbonylContact O-C 3.54Å; L281-D303 VanDerWaalsContact O-C 3.25Å; L281-D303 WeakPolarHBondContact O-CA 3.49Å; L281-D303 PolarHBondContact O-N 2.86Å; L281-L304 HydrophobicContact CB-CD2 4.27Å; L281-L304 PolarHBondContact O-N 3.12Å | ||
| 282 | R | 92.1 | Very high | 92.4 | Very high | 185 Ų | 185 | 48.4 Ų | 48.4 | 70% | 0.698 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -89.6 | -30.4 | 172 | -64.5 | -176.4 | -178.9 | -178.5 | 1.7 | 113.2 | N280 D303 | N280-R282 PolarHBondContact O-N 2.91Å; R282-D303 HydrophobicContact CG-CB 4.3Å |
| 283 | S | 91.4 | Very high | 92.3 | Very high | 65 Ų | 65 | 52 Ų | 52 | 46% | 0.455 | 25% | 0.247 | S | C | . | . | trans | -149.6 | 155.2 | 178.4 | 57.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 284 | L | 92.3 | Very high | 92.2 | Very high | 9 Ų | 9 | 50.7 Ų | 50.7 | 5% | 0.047 | 24% | 0.239 | C | C | . | . | trans | -96.7 | 140.1 | 167.4 | -59.8 | 173.8 | 0 | 0 | 0 | 108.9 | L261 L276 L281 I288 V299 L304 G308 | L261-L284 HydrophobicContact CD1-CD2 4.24Å; L276-L284 HydrophobicContact CD1-CD2 4.1Å; L281-L284 HydrophobicContact CD1-CD2 4.26Å; L284-I288 HydrophobicContact CD1-CD1 4.41Å; L284-V299 HydrophobicContact CD1-CG1 4.12Å; L284-V299 HydrophobicContact CD2-CG1 4.03Å; L284-L304 HydrophobicContact CG-CD2 4.27Å; L284-G308 PolarHBondContact N-O 2.89Å | ||
| 285 | P | 90.1 | Very high | 92.1 | Very high | 25 Ų | 25 | 55.1 Ų | 55.1 | 16% | 0.162 | 26% | 0.256 | C | S | . | . | trans | -71.1 | 146.1 | -179.5 | 29.5 | -35.3 | 0 | 0 | 0 | 111.3 | L261 M263 T287 I288 | L261-P285 HydrophobicContact CB-CG 3.95Å; M263-P285 HydrophobicContact CB-CB 4.49Å; M263-P285 HydrophobicContact CB-CG 4.29Å; M263-P285 HydrophobicContact CG-CG 4.13Å; M263-P285 HydrophobicContact SD-CG 3.62Å; P285-T287 PolarHBondContact O-N 2.86Å; P285-T287 VanDerWaalsContact O-N 3.09Å; P285-I288 WeakPolarHBondContact O-CB 3.48Å; P285-I288 WeakPolarHBondContact O-CG2 3.45Å; P285-I288 PolarHBondContact O-N 3.2Å | ||
| 286 | D | 87.6 | Confident | 92.1 | Very high | 112 Ų | 112 | 55.8 Ų | 55.8 | 60% | 0.599 | 26% | 0.259 | S | S | * | . | G | 310 helix | trans | -57.6 | -26.6 | 177.7 | -82 | -34.9 | 0 | 0 | 0 | 113.1 | I288 T289 P310 | D286-I288 PolarHBondContact O-N 2.73Å; D286-T289 WeakPolarHBondContact O-CB 3.28Å; D286-T289 WeakPolarHBondContact O-CG2 3.11Å; D286-T289 PolarHBondContact O-N 2.86Å; D286-T289 PolarHBondContact O-OG1 3.15Å; D286-P310 WeakPolarHBondContact OD1-CB 3.45Å |
| 287 | T | 87.5 | Confident | 92.1 | Very high | 24 Ų | 24 | 55.8 Ų | 55.8 | 15% | 0.147 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -57.4 | -26.9 | 176.2 | -0.7 | 0 | 0 | 0 | 0 | 112.6 | M263 P285 T289 R290 | M263-T287 PolarHBondContact O-OG1 3.22Å; P285-T287 PolarHBondContact O-N 2.86Å; P285-T287 VanDerWaalsContact O-N 3.09Å; T287-T289 PolarHBondContact O-N 2.7Å; T287-T289 VanDerWaalsContact O-N 3.12Å; T287-R290 WeakPolarHBondContact O-CB 3.49Å; T287-R290 PolarHBondContact O-N 2.99Å |
| 288 | I | 90.2 | Very high | 92.2 | Very high | 3 Ų | 3 | 57.4 Ų | 57.4 | 2% | 0.015 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -58.6 | -28.4 | 175.4 | -156.7 | 173 | 0 | 0 | 0 | 112.1 | L274 L284 P285 D286 R290 M291 L294 L297 P310 | L274-I288 HydrophobicContact CD2-CD1 3.95Å; L274-I288 HydrophobicContact CD2-CG1 4.5Å; L284-I288 HydrophobicContact CD1-CD1 4.41Å; P285-I288 WeakPolarHBondContact O-CB 3.48Å; P285-I288 WeakPolarHBondContact O-CG2 3.45Å; P285-I288 PolarHBondContact O-N 3.2Å; D286-I288 PolarHBondContact O-N 2.73Å; I288-R290 PolarHBondContact O-N 3.01Å; I288-R290 VanDerWaalsContact O-N 3.17Å; I288-M291 HydrophobicContact CG1-CE 4.35Å; I288-M291 HydrophobicContact CG1-SD 4.01Å; I288-M291 WeakPolarHBondContact O-CB 3.49Å; I288-M291 PolarHBondContact O-N 2.97Å; I288-M291 VanDerWaalsContact O-N 3.14Å; I288-L294 HydrophobicContact CG1-CD2 4.47Å; I288-L297 HydrophobicContact CD1-CD1 4.03Å; I288-L297 HydrophobicContact CD1-CD2 4.09Å; I288-P310 HydrophobicContact CG2-CG 3.7Å |
| 289 | T | 88.2 | Confident | 92.2 | Very high | 10 Ų | 10 | 52 Ų | 52 | 6% | 0.061 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -69.9 | -9.9 | 179.9 | 69.6 | 0 | 0 | 0 | 0 | 113.4 | D286 T287 P310 | D286-T289 WeakPolarHBondContact O-CB 3.28Å; D286-T289 WeakPolarHBondContact O-CG2 3.11Å; D286-T289 PolarHBondContact O-N 2.86Å; D286-T289 PolarHBondContact O-OG1 3.15Å; T287-T289 PolarHBondContact O-N 2.7Å; T287-T289 VanDerWaalsContact O-N 3.12Å; T289-P310 HydrophobicContact CG2-CB 3.85Å; T289-P310 HydrophobicContact CG2-CG 3.81Å |
| 290 | R | 88.9 | Confident | 92.1 | Very high | 155 Ų | 155 | 52.9 Ų | 52.9 | 59% | 0.585 | 25% | 0.249 | S | C | * | . | G | 310 helix | trans | -90.8 | -9.6 | 175.3 | -59.7 | 179.1 | -179.6 | -177.6 | 0.5 | 113 | D266 T287 I288 L292 | D266-R290 WeakPolarHBondContact OD1-CD 3.23Å; D266-R290 IonicContact OD1-CZ 3.63Å; D266-R290 IonicContact OD1-NE 3.97Å; D266-R290 IonicContact OD1-NH1 2.74Å; D266-R290 PolarHBondContact OD1-NH1 3.19Å; D266-R290 IonicContact OD2-NH1 3.7Å; D266-R290 PolarHBondContact OD2-NH1 2.95Å; T287-R290 WeakPolarHBondContact O-CB 3.49Å; T287-R290 PolarHBondContact O-N 2.99Å; I288-R290 PolarHBondContact O-N 3.01Å; I288-R290 VanDerWaalsContact O-N 3.17Å; R290-L292 PolarHBondContact O-N 3.41Å |
| 291 | M | 91.5 | Very high | 92.1 | Very high | 3 Ų | 3 | 52.4 Ų | 52.4 | 2% | 0.015 | 24% | 0.244 | C | C | . | . | trans | -76.3 | 69.2 | 175.5 | -60.2 | 178.9 | -171.4 | 0 | 0 | 111.4 | M263 W268 L271 I288 K293 L294 L316 | M263-M291 HydrophobicContact CE-CE 3.19Å; M263-M291 HydrophobicContact SD-CE 4.05Å; W268-M291 HydrophobicContact CD2-CE 4.45Å; W268-M291 HydrophobicContact CE3-CE 3.43Å; W268-M291 VanDerWaalsContact CE3-CE 3.43Å; W268-M291 HydrophobicContact CE3-SD 4.39Å; W268-M291 HydrophobicContact CZ3-CE 3.97Å; L271-M291 HydrophobicContact CB-SD 4.43Å; L271-M291 HydrophobicContact CD2-SD 3.86Å; I288-M291 HydrophobicContact CG1-CE 4.35Å; I288-M291 HydrophobicContact CG1-SD 4.01Å; I288-M291 WeakPolarHBondContact O-CB 3.49Å; I288-M291 PolarHBondContact O-N 2.97Å; I288-M291 VanDerWaalsContact O-N 3.14Å; M291-K293 PolarHBondContact O-N 3.49Å; M291-L294 HydrophobicContact CB-CB 4.08Å; M291-L294 VanDerWaalsContact O-CB 3.24Å; M291-L294 WeakPolarHBondContact O-CB 3.37Å; M291-L294 PolarHBondContact O-N 3.41Å; M291-L316 VanDerWaalsContact O-CD2 3.26Å; M291-L316 WeakPolarHBondContact O-CD2 3.4Å | ||
| 292 | L | 90.1 | Very high | 92.2 | Very high | 104 Ų | 104 | 52.8 Ų | 52.8 | 55% | 0.545 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -16.6 | -172.7 | -58.8 | 179.2 | 0 | 0 | 0 | 114.5 | R290 N318 | R290-L292 PolarHBondContact O-N 3.41Å; L292-N318 PolarHBondContact O-ND2 3.02Å |
| 293 | K | 92.6 | Very high | 92.1 | Very high | 120 Ų | 120 | 46.2 Ų | 46.2 | 52% | 0.522 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -5.7 | 175.8 | -64 | -62.5 | -177.4 | -176.1 | 0 | 113.8 | L271 M291 R295 | L271-K293 CarbonylContact O-C 3.39Å; M291-K293 PolarHBondContact O-N 3.49Å; K293-R295 PolarHBondContact O-N 2.85Å |
| 294 | L | 94.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | trans | -65.6 | 126 | -176.7 | -162.8 | 70.9 | 0 | 0 | 0 | 111.1 | L271 L274 I288 M291 L297 L316 N318 L319 | L271-L294 HydrophobicContact CD2-CD1 4.17Å; L271-L294 HydrophobicContact CG-CD1 4.32Å; L271-L294 WeakPolarHBondContact O-CA 3.36Å; L271-L294 PolarHBondContact O-N 3.2Å; L271-L294 VanDerWaalsContact O-N 3.11Å; L274-L294 HydrophobicContact CB-CD1 3.87Å; I288-L294 HydrophobicContact CG1-CD2 4.47Å; M291-L294 HydrophobicContact CB-CB 4.08Å; M291-L294 VanDerWaalsContact O-CB 3.24Å; M291-L294 WeakPolarHBondContact O-CB 3.37Å; M291-L294 PolarHBondContact O-N 3.41Å; L294-L297 HydrophobicContact CD2-CB 4.11Å; L294-L297 HydrophobicContact CD2-CD1 4.35Å; L294-L297 HydrophobicContact CD2-CD2 4.33Å; L294-L297 HydrophobicContact CD2-CG 4.5Å; L294-L316 HydrophobicContact CB-CD2 4.39Å; L294-L316 HydrophobicContact CD2-CD1 4.01Å; L294-N318 CarbonylContact O-C 3.45Å; L294-L319 HydrophobicContact CD2-CD1 4.45Å; L294-L319 HydrophobicContact CG-CD1 4.44Å; L294-L319 PolarHBondContact O-N 3.36Å | ||
| 295 | R | 94.2 | Very high | 92.1 | Very high | 96 Ų | 96 | 45.4 Ų | 45.4 | 36% | 0.362 | 22% | 0.218 | S | C | . | . | trans | -114 | -38.9 | -179.1 | -67.9 | 175.5 | 64.5 | -148 | -5.5 | 112.3 | E272 K293 N318 E320 V321 | E272-R295 PolarHBondContact O-N 3.32Å; K293-R295 PolarHBondContact O-N 2.85Å; R295-N318 WeakPolarHBondContact CA-O 3.47Å; R295-N318 HydrophobicContact CG-CB 4.21Å; R295-E320 IonicContact CZ-OE1 3.09Å; R295-E320 VanDerWaalsContact CZ-OE1 3.27Å; R295-E320 IonicContact CZ-OE2 2.86Å; R295-E320 IonicContact NE-OE1 3.77Å; R295-E320 PolarHBondContact NE-OE1 2.94Å; R295-E320 IonicContact NE-OE2 3.76Å; R295-E320 VanDerWaalsContact NH2-CD 3.28Å; R295-E320 IonicContact NH2-OE1 3.96Å; R295-E320 PolarHBondContact NH2-OE1 2.97Å; R295-E320 IonicContact NH2-OE2 3.23Å; R295-E320 PolarHBondContact NH2-OE2 2.77Å; R295-E320 PolarHBondContact O-N 3.29Å; R295-V321 PolarHBondContact O-N 2.76Å; R295-V321 VanDerWaalsContact O-N 3.1Å | ||
| 296 | L | 96.6 | Very high | 91.9 | Very high | 44 Ų | 44 | 48.2 Ų | 48.2 | 23% | 0.23 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 115.7 | -175 | -56.2 | 175.7 | 0 | 0 | 0 | 109.2 | E272 V273 L274 F298 V321 | E272-L296 PolarHBondContact O-N 3.17Å; V273-L296 HydrophobicContact CB-CB 4.42Å; V273-L296 HydrophobicContact CG1-CB 4.06Å; V273-L296 HydrophobicContact CG1-CD1 4.29Å; V273-L296 HydrophobicContact CG2-CB 4.22Å; V273-L296 HydrophobicContact CG2-CD1 3.78Å; V273-L296 HydrophobicContact CG2-CG 4.28Å; L274-L296 PolarHBondContact N-O 3.12Å; L296-F298 HydrophobicContact CB-CE2 3.76Å; L296-F298 HydrophobicContact CB-CZ 4.15Å; L296-V321 HydrophobicContact CD2-CB 3.46Å; L296-V321 VanDerWaalsContact CD2-CB 3.46Å; L296-V321 HydrophobicContact CD2-CG1 4.48Å; L296-V321 HydrophobicContact CD2-CG2 3.3Å |
| 297 | L | 96.3 | Very high | 91.8 | Very high | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 115.9 | 176.4 | 179.7 | 58.2 | 0 | 0 | 0 | 110.3 | L274 I288 L294 V299 L319 V321 F322 H323 | L274-L297 HydrophobicContact CB-CD1 4.14Å; L274-L297 HydrophobicContact CD2-CD1 4.1Å; L274-L297 HydrophobicContact CG-CD1 4.2Å; I288-L297 HydrophobicContact CD1-CD1 4.03Å; I288-L297 HydrophobicContact CD1-CD2 4.09Å; L294-L297 HydrophobicContact CD2-CB 4.11Å; L294-L297 HydrophobicContact CD2-CD1 4.35Å; L294-L297 HydrophobicContact CD2-CD2 4.33Å; L294-L297 HydrophobicContact CD2-CG 4.5Å; L297-V299 HydrophobicContact CD1-CG1 3.93Å; L297-V299 HydrophobicContact CG-CG1 4.24Å; L297-L319 HydrophobicContact CB-CD1 3.91Å; L297-V321 PolarHBondContact N-O 2.83Å; L297-F322 HydrophobicContact CB-CD2 4.33Å; L297-F322 HydrophobicContact CD2-CD2 3.98Å; L297-F322 HydrophobicContact CD2-CE2 3.87Å; L297-F322 HydrophobicContact CG-CD2 4.23Å; L297-F322 HydrophobicContact CG-CE2 4.34Å; L297-H323 PolarHBondContact O-N 3.47Å |
| 298 | F | 96 | Very high | 91.7 | Very high | 46 Ų | 46 | 50.2 Ų | 50.2 | 20% | 0.202 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 118.5 | 178.7 | -52.8 | -82.3 | 0 | 0 | 0 | 110.1 | V273 L274 N275 L276 S277 L296 V321 H323 | V273-F298 HydrophobicContact CG1-CE2 4.34Å; L274-F298 PolarHBondContact O-N 3.29Å; N275-F298 HydrophobicContact CB-CB 4.22Å; N275-F298 HydrophobicContact CB-CD2 4.05Å; N275-F298 WeakPolarHBondContact OD1-CB 3.33Å; L276-F298 PolarHBondContact N-O 3.37Å; S277-F298 PolarHBondContact N-O 2.74Å; S277-F298 WeakPolarHBondContact OG-CB 3.49Å; L296-F298 HydrophobicContact CB-CE2 3.76Å; L296-F298 HydrophobicContact CB-CZ 4.15Å; F298-V321 HydrophobicContact CE1-CG1 3.76Å; F298-V321 HydrophobicContact CZ-CG1 4.21Å; F298-H323 HydrophobicContact CD1-CB 3.82Å; F298-H323 AromaticContact CD1-CD2 3.52Å; F298-H323 AromaticContact CD1-CG 3.85Å; F298-H323 AromaticContact CE1-CD2 3.45Å; F298-H323 VanDerWaalsContact CE1-CD2 3.45Å; F298-H323 WeakPolarHBondContact CE1-CD2 3.34Å |
| 299 | V | 94.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | trans | -136 | 29.9 | -178.6 | -64.1 | 0 | 0 | 0 | 0 | 111 | L276 L284 L297 N302 L304 F322 H323 A324 N327 | L276-V299 HydrophobicContact CB-CG1 4.25Å; L276-V299 HydrophobicContact CD1-CG1 4.32Å; L284-V299 HydrophobicContact CD1-CG1 4.12Å; L284-V299 HydrophobicContact CD2-CG1 4.03Å; L297-V299 HydrophobicContact CD1-CG1 3.93Å; L297-V299 HydrophobicContact CG-CG1 4.24Å; V299-N302 PolarHBondContact O-ND2 2.82Å; V299-N302 VanDerWaalsContact O-ND2 3.12Å; V299-L304 HydrophobicContact CB-CD1 3.87Å; V299-L304 HydrophobicContact CG2-CD1 3.72Å; V299-F322 HydrophobicContact CG2-CE2 4.29Å; V299-F322 HydrophobicContact CG2-CZ 4.45Å; V299-H323 CarbonylContact C-O 3.43Å; V299-H323 WeakPolarHBondContact CG2-O 3.45Å; V299-H323 PolarHBondContact N-O 3.34Å; V299-A324 HydrophobicContact CG2-CB 3.61Å; V299-N327 PolarHBondContact O-ND2 2.89Å | ||
| 300 | N | 93.5 | Very high | 91.9 | Very high | 25 Ų | 25 | 50.1 Ų | 50.1 | 13% | 0.134 | 23% | 0.231 | C | C | . | . | trans | -64.6 | 155.9 | -179.9 | -53 | -67.2 | 0 | 0 | 0 | 111.3 | S277 R278 N302 H323 A324 A325 | S277-N300 CarbonylContact C-O 3.49Å; S277-N300 WeakPolarHBondContact CA-O 3.32Å; S277-N300 WeakPolarHBondContact CB-O 3.35Å; S277-N300 PolarHBondContact OG-N 3.4Å; S277-N300 PolarHBondContact OG-ND2 3.22Å; R278-N300 PolarHBondContact N-O 3.12Å; N300-N302 PolarHBondContact O-ND2 3.48Å; N300-H323 PolarHBondContact N-O 3.05Å; N300-H323 WeakPolarHBondContact ND2-CB 3.06Å; N300-H323 VanDerWaalsContact OD1-CB 3.31Å; N300-H323 WeakPolarHBondContact OD1-CB 3.41Å; N300-H323 PolarHBondContact OD1-O 3.41Å; N300-A324 PolarHBondContact OD1-N 3Å; N300-A325 CarbonylContact C-O 3.48Å; N300-A325 WeakPolarHBondContact CA-O 3.14Å; N300-A325 HydrophobicContact CB-CB 4.45Å; N300-A325 WeakPolarHBondContact OD1-CB 3.46Å; N300-A325 PolarHBondContact OD1-N 3.04Å | ||
| 301 | E | 93.1 | Very high | 91.7 | Very high | 74 Ų | 74 | 46.5 Ų | 46.5 | 35% | 0.346 | 23% | 0.234 | S | C | . | . | S | Bend | trans | 54.3 | 59.8 | 173.8 | -62.3 | 176.3 | -120.9 | 0 | 0 | 111 | R278 N279 A325 Y326 | R278-E301 WeakPolarHBondContact CA-O 3.32Å; R278-E301 HydrophobicContact CB-CB 4.38Å; R278-E301 HydrophobicContact CG-CB 3.62Å; R278-E301 HydrophobicContact CG-CG 4.13Å; R278-E301 WeakPolarHBondContact CG-OE2 3.27Å; R278-E301 IonicContact CZ-OE1 2.98Å; R278-E301 IonicContact CZ-OE2 3.93Å; R278-E301 PolarHBondContact N-O 3.14Å; R278-E301 IonicContact NE-OE1 3.09Å; R278-E301 PolarHBondContact NE-OE1 3.06Å; R278-E301 IonicContact NE-OE2 3.34Å; R278-E301 PolarHBondContact NE-OE2 3.11Å; R278-E301 VanDerWaalsContact NE-OE2 3.11Å; R278-E301 IonicContact NH2-OE1 2.79Å; R278-E301 PolarHBondContact NH2-OE1 3.11Å; R278-E301 IonicContact NH2-OE2 3.11Å; N279-E301 PolarHBondContact N-O 3.32Å; E301-A325 PolarHBondContact N-O 3.46Å; E301-Y326 WeakPolarHBondContact CA-O 3.45Å; E301-Y326 HydrophobicContact CG-CD2 4.1Å; E301-Y326 HydrophobicContact CG-CG 3.93Å; E301-Y326 PolarHBondContact N-O 3.03Å |
| 302 | N | 94.1 | Very high | 91.4 | Very high | 7 Ų | 7 | 47.4 Ų | 47.4 | 4% | 0.037 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -133.9 | -178.6 | 174.2 | -81.5 | -79 | 0 | 0 | 0 | 109.1 | L276 N279 L281 V299 N300 L304 Y326 N327 | L276-N302 PolarHBondContact O-ND2 2.77Å; N279-N302 WeakPolarHBondContact CA-OD1 3.09Å; N279-N302 WeakPolarHBondContact CB-OD1 3.45Å; N279-N302 PolarHBondContact N-OD1 2.85Å; N279-N302 PolarHBondContact O-OD1 3.45Å; L281-N302 HydrophobicContact CB-CB 4.29Å; L281-N302 WeakPolarHBondContact CB-OD1 3.18Å; L281-N302 WeakPolarHBondContact CG-OD1 3.12Å; L281-N302 PolarHBondContact N-OD1 3.4Å; L281-N302 VanDerWaalsContact N-OD1 3.11Å; V299-N302 PolarHBondContact O-ND2 2.82Å; V299-N302 VanDerWaalsContact O-ND2 3.12Å; N300-N302 PolarHBondContact O-ND2 3.48Å; N302-L304 HydrophobicContact CB-CG 4.09Å; N302-Y326 PolarHBondContact N-O 3.05Å; N302-N327 VanDerWaalsContact CA-OD1 3.31Å; N302-N327 WeakPolarHBondContact CA-OD1 3.49Å; N302-N327 WeakPolarHBondContact CB-OD1 3.37Å; N302-N327 PolarHBondContact N-OD1 3.24Å; N302-N327 WeakPolarHBondContact O-CA 3.34Å; N302-N327 PolarHBondContact O-OD1 3.32Å |
| 303 | D | 91.2 | Very high | 91.4 | Very high | 48 Ų | 48 | 42.6 Ų | 42.6 | 26% | 0.257 | 22% | 0.219 | S | C | . | . | trans | -98.8 | 28.1 | 177.6 | -81.7 | -29.4 | 0 | 0 | 0 | 112.9 | L281 R282 T305 R328 | L281-D303 CarbonylContact O-C 3.54Å; L281-D303 VanDerWaalsContact O-C 3.25Å; L281-D303 WeakPolarHBondContact O-CA 3.49Å; L281-D303 PolarHBondContact O-N 2.86Å; R282-D303 HydrophobicContact CG-CB 4.3Å; D303-T305 PolarHBondContact O-N 3.19Å; D303-R328 VanDerWaalsContact CG-NH2 3.29Å; D303-R328 IonicContact OD1-CZ 2.7Å; D303-R328 IonicContact OD1-NE 3.39Å; D303-R328 PolarHBondContact OD1-NE 3.31Å; D303-R328 IonicContact OD1-NH2 2.89Å; D303-R328 PolarHBondContact OD1-NH2 2.97Å; D303-R328 IonicContact OD2-NH2 3.8Å; D303-R328 PolarHBondContact OD2-NH2 2.86Å | ||
| 304 | L | 93.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -66.8 | 131.9 | -173.8 | -60.7 | 174.3 | 0 | 0 | 0 | 112.2 | L281 L284 V299 N302 N327 R328 L329 | L281-L304 HydrophobicContact CB-CD2 4.27Å; L281-L304 PolarHBondContact O-N 3.12Å; L284-L304 HydrophobicContact CG-CD2 4.27Å; V299-L304 HydrophobicContact CB-CD1 3.87Å; V299-L304 HydrophobicContact CG2-CD1 3.72Å; N302-L304 HydrophobicContact CB-CG 4.09Å; L304-N327 HydrophobicContact CB-CB 4.25Å; L304-N327 VanDerWaalsContact CB-OD1 3.26Å; L304-N327 WeakPolarHBondContact CB-OD1 3.42Å; L304-N327 WeakPolarHBondContact CG-OD1 3.24Å; L304-N327 PolarHBondContact N-OD1 3.06Å; L304-R328 CarbonylContact O-C 3.48Å; L304-R328 WeakPolarHBondContact O-CA 3.35Å; L304-R328 PolarHBondContact O-N 2.94Å; L304-L329 HydrophobicContact CB-CD2 4.02Å; L304-L329 PolarHBondContact O-N 2.81Å | ||
| 305 | T | 90.6 | Very high | 90.7 | Very high | 57 Ų | 57 | 42.9 Ų | 42.9 | 35% | 0.35 | 22% | 0.222 | S | C | . | . | trans | -102.9 | 178.8 | 169.1 | 63.8 | 0 | 0 | 0 | 0 | 110.8 | D303 E307 G308 L329 | D303-T305 PolarHBondContact O-N 3.19Å; T305-E307 PolarHBondContact O-N 3.38Å; T305-G308 WeakPolarHBondContact O-CA 2.94Å; T305-G308 PolarHBondContact O-N 3.05Å; T305-L329 VanDerWaalsContact O-CD2 3.31Å; T305-L329 WeakPolarHBondContact O-CD2 3.48Å | ||
| 306 | F | 86.3 | Confident | 90.6 | Very high | 83 Ų | 83 | 38.3 Ų | 38.3 | 36% | 0.364 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -56.7 | -46.2 | 177.2 | 170.9 | -110.1 | 0 | 0 | 0 | 112.7 | G308 I309 L331 P333 | F306-G308 PolarHBondContact O-N 3.04Å; F306-I309 PolarHBondContact O-N 3.13Å; F306-L331 HydrophobicContact CB-CB 4.32Å; F306-L331 HydrophobicContact CD2-CB 3.46Å; F306-L331 VanDerWaalsContact CD2-CB 3.46Å; F306-L331 WeakPolarHBondContact CD2-O 3.28Å; F306-L331 HydrophobicContact CE2-CB 3.88Å; F306-L331 HydrophobicContact CG-CB 3.97Å; F306-P333 HydrophobicContact CE2-CB 4.28Å |
| 307 | E | 84.8 | Confident | 90.2 | Very high | 178 Ų | 178 | 37.8 Ų | 37.8 | 83% | 0.832 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -20 | 174.7 | -62.4 | -173.3 | 164.2 | 0 | 0 | 112.4 | T305 I309 | T305-E307 PolarHBondContact O-N 3.38Å; E307-I309 VanDerWaalsContact C-N 3.26Å; E307-I309 PolarHBondContact O-N 3.26Å |
| 308 | G | 86.1 | Confident | 89.9 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -12.9 | 177 | 0 | 0 | 0 | 0 | 0 | 114.8 | L284 T305 F306 | L284-G308 PolarHBondContact N-O 2.89Å; T305-G308 WeakPolarHBondContact O-CA 2.94Å; T305-G308 PolarHBondContact O-N 3.05Å; F306-G308 PolarHBondContact O-N 3.04Å |
| 309 | I | 91.6 | Very high | 89.8 | Confident | 6 Ų | 6 | 37.7 Ų | 37.7 | 3% | 0.031 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -105.6 | 119.3 | 172.2 | -57.2 | 175.1 | 0 | 0 | 0 | 108.6 | F306 E307 A311 I313 F322 L329 P333 | F306-I309 PolarHBondContact O-N 3.13Å; E307-I309 VanDerWaalsContact C-N 3.26Å; E307-I309 PolarHBondContact O-N 3.26Å; I309-A311 PolarHBondContact O-N 3.31Å; I309-I313 HydrophobicContact CG2-CD1 3.86Å; I309-I313 HydrophobicContact CG2-CG2 4.45Å; I309-F322 HydrophobicContact CD1-CE1 4.44Å; I309-F322 HydrophobicContact CD1-CZ 3.99Å; I309-L329 HydrophobicContact CD1-CD1 3.9Å; I309-L329 HydrophobicContact CD1-CD2 3.6Å; I309-L329 HydrophobicContact CD1-CG 4.42Å; I309-L329 HydrophobicContact CG1-CD2 4.07Å; I309-P333 HydrophobicContact CB-CG 4.12Å; I309-P333 HydrophobicContact CG2-CG 3.68Å |
| 310 | P | 89.9 | Confident | 89.7 | Confident | 5 Ų | 5 | 39.7 Ų | 39.7 | 3% | 0.032 | 21% | 0.214 | C | C | . | . | trans | -62.8 | 132.4 | -177.1 | 24.9 | -34.5 | 0 | 0 | 0 | 111.3 | D286 I288 T289 G312 I313 | D286-P310 WeakPolarHBondContact OD1-CB 3.45Å; I288-P310 HydrophobicContact CG2-CG 3.7Å; T289-P310 HydrophobicContact CG2-CB 3.85Å; T289-P310 HydrophobicContact CG2-CG 3.81Å; P310-G312 PolarHBondContact O-N 3.34Å; P310-I313 WeakPolarHBondContact O-CB 3.37Å; P310-I313 PolarHBondContact O-N 3.25Å | ||
| 311 | A | 84.1 | Confident | 89.8 | Confident | 80 Ų | 80 | 39.2 Ų | 39.2 | 66% | 0.661 | 21% | 0.212 | S | C | * | . | G | 310 helix | trans | -57.6 | -26 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | I309 I313 | I309-A311 PolarHBondContact O-N 3.31Å; A311-I313 VanDerWaalsContact C-N 3.26Å; A311-I313 PolarHBondContact O-N 2.73Å |
| 312 | G | 85.5 | Confident | 89.9 | Confident | 22 Ų | 22 | 35.7 Ų | 35.7 | 23% | 0.227 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -73.7 | 1.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | P310 G314 K315 | P310-G312 PolarHBondContact O-N 3.34Å; G312-G314 PolarHBondContact O-N 2.89Å; G312-K315 WeakPolarHBondContact O-CB 3.31Å; G312-K315 WeakPolarHBondContact O-CG 3.37Å; G312-K315 PolarHBondContact O-N 3.49Å |
| 313 | I | 90.1 | Very high | 89.9 | Confident | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -53.9 | -27.4 | -179 | -164.1 | 164.1 | 0 | 0 | 0 | 113.3 | I309 P310 A311 K315 L316 F322 P333 L336 | I309-I313 HydrophobicContact CG2-CD1 3.86Å; I309-I313 HydrophobicContact CG2-CG2 4.45Å; P310-I313 WeakPolarHBondContact O-CB 3.37Å; P310-I313 PolarHBondContact O-N 3.25Å; A311-I313 VanDerWaalsContact C-N 3.26Å; A311-I313 PolarHBondContact O-N 2.73Å; I313-K315 PolarHBondContact O-N 3.46Å; I313-L316 HydrophobicContact CG1-CD1 4Å; I313-L316 WeakPolarHBondContact O-CB 3.38Å; I313-L316 WeakPolarHBondContact O-CG 3.49Å; I313-L316 PolarHBondContact O-N 2.55Å; I313-F322 HydrophobicContact CD1-CD2 4.27Å; I313-F322 HydrophobicContact CD1-CE2 3.86Å; I313-F322 HydrophobicContact CD1-CZ 4.33Å; I313-P333 HydrophobicContact CG2-CG 4.24Å; I313-L336 HydrophobicContact CD1-CD1 4.3Å; I313-L336 HydrophobicContact CG2-CB 4.31Å |
| 314 | G | 85.9 | Confident | 90 | Very high | 5 Ų | 5 | 34.1 Ų | 34.1 | 5% | 0.052 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -62.6 | -9.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | G312 L316 G335 R437 | G312-G314 PolarHBondContact O-N 2.89Å; G314-L316 VanDerWaalsContact C-N 3.26Å; G314-G335 WeakPolarHBondContact CA-O 3.24Å; G314-G335 PolarHBondContact N-O 3.28Å; G314-R437 VanDerWaalsContact O-CZ 3.24Å; G314-R437 PolarHBondContact O-NH1 3.07Å; G314-R437 PolarHBondContact O-NH2 2.82Å |
| 315 | K | 88.1 | Confident | 89.9 | Confident | 121 Ų | 121 | 34.3 Ų | 34.3 | 53% | 0.526 | 19% | 0.188 | S | C | . | . | G | 310 helix | trans | -72.4 | -18.6 | 171.3 | -67.9 | 179.2 | -179.2 | 177.4 | 0 | 112.7 | G312 I313 V317 | G312-K315 WeakPolarHBondContact O-CB 3.31Å; G312-K315 WeakPolarHBondContact O-CG 3.37Å; G312-K315 PolarHBondContact O-N 3.49Å; I313-K315 PolarHBondContact O-N 3.46Å; K315-V317 VanDerWaalsContact O-CG2 3.3Å; K315-V317 WeakPolarHBondContact O-CG2 3.36Å; K315-V317 PolarHBondContact O-N 3.25Å |
| 316 | L | 91.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | trans | -78.7 | 70.7 | 179.1 | -54.9 | 178.9 | 0 | 0 | 0 | 110.8 | M291 L294 I313 G314 N318 L319 | M291-L316 VanDerWaalsContact O-CD2 3.26Å; M291-L316 WeakPolarHBondContact O-CD2 3.4Å; L294-L316 HydrophobicContact CB-CD2 4.39Å; L294-L316 HydrophobicContact CD2-CD1 4.01Å; I313-L316 HydrophobicContact CG1-CD1 4Å; I313-L316 WeakPolarHBondContact O-CB 3.38Å; I313-L316 WeakPolarHBondContact O-CG 3.49Å; I313-L316 PolarHBondContact O-N 2.55Å; G314-L316 VanDerWaalsContact C-N 3.26Å; L316-N318 PolarHBondContact O-N 3.24Å; L316-N318 VanDerWaalsContact O-N 3.13Å; L316-L319 HydrophobicContact CB-CB 3.98Å; L316-L319 HydrophobicContact CD1-CD2 4.45Å; L316-L319 VanDerWaalsContact O-CB 3.25Å; L316-L319 WeakPolarHBondContact O-CB 3.43Å; L316-L319 PolarHBondContact O-N 2.96Å | ||
| 317 | V | 87 | Confident | 90.4 | Very high | 33 Ų | 33 | 34 Ų | 34 | 20% | 0.2 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -20.3 | -173 | -152.4 | 0 | 0 | 0 | 0 | 112.7 | K315 V340 T441 | K315-V317 VanDerWaalsContact O-CG2 3.3Å; K315-V317 WeakPolarHBondContact O-CG2 3.36Å; K315-V317 PolarHBondContact O-N 3.25Å; V317-V340 HydrophobicContact CG1-CG2 3.8Å; V317-T441 HydrophobicContact CB-CG2 4.03Å; V317-T441 HydrophobicContact CG1-CG2 3.34Å |
| 318 | N | 90.3 | Very high | 90.7 | Very high | 45 Ų | 45 | 30.9 Ų | 30.9 | 24% | 0.241 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -0 | 175.4 | -69.2 | -49 | 0 | 0 | 0 | 114.5 | L292 L294 R295 L316 E320 K341 | L292-N318 PolarHBondContact O-ND2 3.02Å; L294-N318 CarbonylContact O-C 3.45Å; R295-N318 WeakPolarHBondContact CA-O 3.47Å; R295-N318 HydrophobicContact CG-CB 4.21Å; L316-N318 PolarHBondContact O-N 3.24Å; L316-N318 VanDerWaalsContact O-N 3.13Å; N318-E320 PolarHBondContact O-N 2.97Å; N318-K341 PolarHBondContact OD1-NZ 3.32Å; N318-K341 VanDerWaalsContact OD1-NZ 3.08Å |
| 319 | L | 94.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | trans | -67.6 | 119 | -177.2 | -164.6 | 72.1 | 0 | 0 | 0 | 111 | L294 L297 L316 F322 L336 C339 K341 L342 | L294-L319 HydrophobicContact CD2-CD1 4.45Å; L294-L319 HydrophobicContact CG-CD1 4.44Å; L294-L319 PolarHBondContact O-N 3.36Å; L297-L319 HydrophobicContact CB-CD1 3.91Å; L316-L319 HydrophobicContact CB-CB 3.98Å; L316-L319 HydrophobicContact CD1-CD2 4.45Å; L316-L319 VanDerWaalsContact O-CB 3.25Å; L316-L319 WeakPolarHBondContact O-CB 3.43Å; L316-L319 PolarHBondContact O-N 2.96Å; L319-F322 HydrophobicContact CD2-CB 4.25Å; L319-F322 HydrophobicContact CD2-CD2 4.44Å; L319-L336 HydrophobicContact CD2-CD1 4.36Å; L319-C339 HydrophobicContact CB-CB 4.26Å; L319-K341 CarbonylContact O-C 3.38Å; L319-K341 VanDerWaalsContact O-C 3.3Å; L319-L342 HydrophobicContact CB-CD1 4.43Å; L319-L342 HydrophobicContact CD2-CD1 3.93Å; L319-L342 HydrophobicContact CG-CD1 4.05Å; L319-L342 WeakPolarHBondContact O-CA 3.41Å; L319-L342 PolarHBondContact O-N 3.08Å | ||
| 320 | E | 93 | Very high | 90.8 | Very high | 42 Ų | 42 | 35.2 Ų | 35.2 | 20% | 0.196 | 18% | 0.181 | C | C | . | . | trans | -105.1 | -35.6 | -179.5 | -71.2 | 170.9 | -152.3 | 0 | 0 | 111.8 | R295 N318 K341 R343 K344 | R295-E320 IonicContact CZ-OE1 3.09Å; R295-E320 VanDerWaalsContact CZ-OE1 3.27Å; R295-E320 IonicContact CZ-OE2 2.86Å; R295-E320 IonicContact NE-OE1 3.77Å; R295-E320 PolarHBondContact NE-OE1 2.94Å; R295-E320 IonicContact NE-OE2 3.76Å; R295-E320 VanDerWaalsContact NH2-CD 3.28Å; R295-E320 IonicContact NH2-OE1 3.96Å; R295-E320 PolarHBondContact NH2-OE1 2.97Å; R295-E320 IonicContact NH2-OE2 3.23Å; R295-E320 PolarHBondContact NH2-OE2 2.77Å; R295-E320 PolarHBondContact O-N 3.29Å; N318-E320 PolarHBondContact O-N 2.97Å; E320-K341 WeakPolarHBondContact CA-O 3.33Å; E320-K341 HydrophobicContact CG-CB 4.27Å; E320-R343 PolarHBondContact O-N 3.33Å; E320-K344 PolarHBondContact O-N 3.07Å; E320-K344 VanDerWaalsContact O-N 3.13Å | ||
| 321 | V | 94.5 | Very high | 90.7 | Very high | 16 Ų | 16 | 37.5 Ų | 37.5 | 10% | 0.097 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 125 | -176.9 | -179.2 | 0 | 0 | 0 | 0 | 109.9 | R295 L296 L297 F298 H323 K344 | R295-V321 PolarHBondContact O-N 2.76Å; R295-V321 VanDerWaalsContact O-N 3.1Å; L296-V321 HydrophobicContact CD2-CB 3.46Å; L296-V321 VanDerWaalsContact CD2-CB 3.46Å; L296-V321 HydrophobicContact CD2-CG1 4.48Å; L296-V321 HydrophobicContact CD2-CG2 3.3Å; L297-V321 PolarHBondContact N-O 2.83Å; F298-V321 HydrophobicContact CE1-CG1 3.76Å; F298-V321 HydrophobicContact CZ-CG1 4.21Å; V321-H323 WeakPolarHBondContact CG1-CE1 3.49Å; V321-K344 WeakPolarHBondContact CA-O 3.16Å; V321-K344 HydrophobicContact CG1-CB 4.2Å; V321-K344 HydrophobicContact CG2-CB 4.14Å; V321-K344 HydrophobicContact CG2-CD 4.32Å; V321-K344 HydrophobicContact CG2-CG 4.36Å |
| 322 | F | 95.1 | Very high | 91 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 115.7 | 172.3 | -176.5 | -110.3 | 0 | 0 | 0 | 109.2 | L297 V299 I309 I313 L319 A324 L336 L342 K344 V345 K346 L347 | L297-F322 HydrophobicContact CB-CD2 4.33Å; L297-F322 HydrophobicContact CD2-CD2 3.98Å; L297-F322 HydrophobicContact CD2-CE2 3.87Å; L297-F322 HydrophobicContact CG-CD2 4.23Å; L297-F322 HydrophobicContact CG-CE2 4.34Å; V299-F322 HydrophobicContact CG2-CE2 4.29Å; V299-F322 HydrophobicContact CG2-CZ 4.45Å; I309-F322 HydrophobicContact CD1-CE1 4.44Å; I309-F322 HydrophobicContact CD1-CZ 3.99Å; I313-F322 HydrophobicContact CD1-CD2 4.27Å; I313-F322 HydrophobicContact CD1-CE2 3.86Å; I313-F322 HydrophobicContact CD1-CZ 4.33Å; L319-F322 HydrophobicContact CD2-CB 4.25Å; L319-F322 HydrophobicContact CD2-CD2 4.44Å; F322-A324 HydrophobicContact CE1-CB 3.78Å; F322-A324 HydrophobicContact CZ-CB 3.81Å; F322-L336 HydrophobicContact CB-CD1 4.2Å; F322-L336 HydrophobicContact CD1-CD1 3.89Å; F322-L336 HydrophobicContact CD1-CD2 3.8Å; F322-L336 HydrophobicContact CD2-CD1 4.49Å; F322-L336 HydrophobicContact CE1-CD1 4.42Å; F322-L336 HydrophobicContact CE1-CD2 4.12Å; F322-L336 HydrophobicContact CG-CD1 3.93Å; F322-L342 HydrophobicContact CB-CD1 4.15Å; F322-K344 PolarHBondContact N-O 3.18Å; F322-V345 VanDerWaalsContact O-CA 3.27Å; F322-V345 WeakPolarHBondContact O-CA 3.21Å; F322-K346 PolarHBondContact O-N 2.92Å; F322-L347 HydrophobicContact CD1-CD2 4.42Å; F322-L347 HydrophobicContact CE1-CD2 4.04Å |
| 323 | H | 94.9 | Very high | 91.1 | Very high | 21 Ų | 21 | 33.5 Ų | 33.5 | 10% | 0.097 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 113 | 179.5 | -70.2 | -7.1 | 0 | 0 | 0 | 109.3 | L297 F298 V299 N300 V321 K346 | L297-H323 PolarHBondContact O-N 3.47Å; F298-H323 HydrophobicContact CD1-CB 3.82Å; F298-H323 AromaticContact CD1-CD2 3.52Å; F298-H323 AromaticContact CD1-CG 3.85Å; F298-H323 AromaticContact CE1-CD2 3.45Å; F298-H323 VanDerWaalsContact CE1-CD2 3.45Å; F298-H323 WeakPolarHBondContact CE1-CD2 3.34Å; V299-H323 CarbonylContact C-O 3.43Å; V299-H323 WeakPolarHBondContact CG2-O 3.45Å; V299-H323 PolarHBondContact N-O 3.34Å; N300-H323 PolarHBondContact N-O 3.05Å; N300-H323 WeakPolarHBondContact ND2-CB 3.06Å; N300-H323 VanDerWaalsContact OD1-CB 3.31Å; N300-H323 WeakPolarHBondContact OD1-CB 3.41Å; N300-H323 PolarHBondContact OD1-O 3.41Å; V321-H323 WeakPolarHBondContact CG1-CE1 3.49Å; H323-K346 HydrophobicContact CB-CB 4.32Å; H323-K346 VanDerWaalsContact CE1-CG 3.46Å; H323-K346 WeakPolarHBondContact CE1-CG 3.35Å |
| 324 | A | 93.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | trans | -133.9 | 39.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | V299 N300 F322 N327 L329 K346 L347 N350 | V299-A324 HydrophobicContact CG2-CB 3.61Å; N300-A324 PolarHBondContact OD1-N 3Å; F322-A324 HydrophobicContact CE1-CB 3.78Å; F322-A324 HydrophobicContact CZ-CB 3.81Å; A324-N327 PolarHBondContact O-ND2 3.22Å; A324-L329 HydrophobicContact CB-CD1 3.98Å; A324-K346 CarbonylContact C-O 3.44Å; A324-K346 PolarHBondContact N-O 3.34Å; A324-L347 HydrophobicContact CB-CD2 4.05Å; A324-N350 PolarHBondContact O-ND2 3.02Å | ||
| 325 | A | 92.1 | Very high | 90.7 | Very high | 4 Ų | 4 | 37.8 Ų | 37.8 | 3% | 0.033 | 18% | 0.176 | C | C | . | . | trans | -67.3 | 157.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | N300 E301 N327 K346 N348 | N300-A325 CarbonylContact C-O 3.48Å; N300-A325 WeakPolarHBondContact CA-O 3.14Å; N300-A325 HydrophobicContact CB-CB 4.45Å; N300-A325 WeakPolarHBondContact OD1-CB 3.46Å; N300-A325 PolarHBondContact OD1-N 3.04Å; E301-A325 PolarHBondContact N-O 3.46Å; A325-N327 PolarHBondContact O-N 3.36Å; A325-N327 PolarHBondContact O-ND2 3.37Å; A325-N327 VanDerWaalsContact O-ND2 3.11Å; A325-K346 PolarHBondContact N-O 2.74Å; A325-N348 CarbonylContact C-O 3.4Å; A325-N348 WeakPolarHBondContact CA-O 3.36Å; A325-N348 WeakPolarHBondContact CB-O 3.43Å; A325-N348 WeakPolarHBondContact CB-OD1 3.49Å | ||
| 326 | Y | 93.7 | Very high | 90.7 | Very high | 121 Ų | 121 | 32.1 Ų | 32.1 | 48% | 0.475 | 15% | 0.151 | S | C | . | . | S | Bend | trans | 55.2 | 50.9 | 177.9 | -61.4 | -90.9 | 0 | 0 | 0 | 112.9 | E301 N302 N348 N349 | E301-Y326 WeakPolarHBondContact CA-O 3.45Å; E301-Y326 HydrophobicContact CG-CD2 4.1Å; E301-Y326 HydrophobicContact CG-CG 3.93Å; E301-Y326 PolarHBondContact N-O 3.03Å; N302-Y326 PolarHBondContact N-O 3.05Å; Y326-N348 PolarHBondContact N-O 3.05Å; Y326-N349 WeakPolarHBondContact CA-O 3.43Å; Y326-N349 HydrophobicContact CD1-CB 3.48Å; Y326-N349 VanDerWaalsContact CD1-CB 3.48Å; Y326-N349 HydrophobicContact CD2-CB 4.17Å; Y326-N349 HydrophobicContact CE1-CB 3.64Å; Y326-N349 WeakPolarHBondContact CE1-ND2 3.3Å; Y326-N349 HydrophobicContact CE2-CB 4.29Å; Y326-N349 HydrophobicContact CG-CB 3.77Å; Y326-N349 PolarHBondContact N-O 3.05Å |
| 327 | N | 93.5 | Very high | 90.4 | Very high | 12 Ų | 12 | 32.4 Ų | 32.4 | 6% | 0.064 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -123.2 | -171 | 174.4 | -82.2 | -84.5 | 0 | 0 | 0 | 109.9 | V299 N302 L304 A324 A325 L329 N349 N350 | V299-N327 PolarHBondContact O-ND2 2.89Å; N302-N327 VanDerWaalsContact CA-OD1 3.31Å; N302-N327 WeakPolarHBondContact CA-OD1 3.49Å; N302-N327 WeakPolarHBondContact CB-OD1 3.37Å; N302-N327 PolarHBondContact N-OD1 3.24Å; N302-N327 WeakPolarHBondContact O-CA 3.34Å; N302-N327 PolarHBondContact O-OD1 3.32Å; L304-N327 HydrophobicContact CB-CB 4.25Å; L304-N327 VanDerWaalsContact CB-OD1 3.26Å; L304-N327 WeakPolarHBondContact CB-OD1 3.42Å; L304-N327 WeakPolarHBondContact CG-OD1 3.24Å; L304-N327 PolarHBondContact N-OD1 3.06Å; A324-N327 PolarHBondContact O-ND2 3.22Å; A325-N327 PolarHBondContact O-N 3.36Å; A325-N327 PolarHBondContact O-ND2 3.37Å; A325-N327 VanDerWaalsContact O-ND2 3.11Å; N327-L329 HydrophobicContact CB-CD1 4.43Å; N327-L329 HydrophobicContact CB-CG 4.01Å; N327-N349 PolarHBondContact N-O 2.78Å; N327-N350 WeakPolarHBondContact CA-OD1 3.18Å; N327-N350 WeakPolarHBondContact CB-OD1 3.43Å; N327-N350 PolarHBondContact N-OD1 3.2Å; N327-N350 PolarHBondContact O-OD1 3.36Å; N327-N350 VanDerWaalsContact O-OD1 3.09Å |
| 328 | R | 90 | Very high | 90.3 | Very high | 113 Ų | 113 | 36.5 Ų | 36.5 | 43% | 0.426 | 17% | 0.165 | S | C | . | . | trans | -108.6 | 31.8 | 176.7 | -54.4 | -179.9 | -168 | -170.8 | 3.3 | 111.5 | D303 L304 E330 | D303-R328 VanDerWaalsContact CG-NH2 3.29Å; D303-R328 IonicContact OD1-CZ 2.7Å; D303-R328 IonicContact OD1-NE 3.39Å; D303-R328 PolarHBondContact OD1-NE 3.31Å; D303-R328 IonicContact OD1-NH2 2.89Å; D303-R328 PolarHBondContact OD1-NH2 2.97Å; D303-R328 IonicContact OD2-NH2 3.8Å; D303-R328 PolarHBondContact OD2-NH2 2.86Å; L304-R328 CarbonylContact O-C 3.48Å; L304-R328 WeakPolarHBondContact O-CA 3.35Å; L304-R328 PolarHBondContact O-N 2.94Å; R328-E330 PolarHBondContact O-N 3.02Å | ||
| 329 | L | 91.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 15% | 0.154 | C | C | . | . | trans | -69.8 | 120.2 | -175.5 | -60.1 | 174.4 | 0 | 0 | 0 | 110.8 | L304 T305 I309 A324 N327 L347 N350 R351 L352 | L304-L329 HydrophobicContact CB-CD2 4.02Å; L304-L329 PolarHBondContact O-N 2.81Å; T305-L329 VanDerWaalsContact O-CD2 3.31Å; T305-L329 WeakPolarHBondContact O-CD2 3.48Å; I309-L329 HydrophobicContact CD1-CD1 3.9Å; I309-L329 HydrophobicContact CD1-CD2 3.6Å; I309-L329 HydrophobicContact CD1-CG 4.42Å; I309-L329 HydrophobicContact CG1-CD2 4.07Å; A324-L329 HydrophobicContact CB-CD1 3.98Å; N327-L329 HydrophobicContact CB-CD1 4.43Å; N327-L329 HydrophobicContact CB-CG 4.01Å; L329-L347 HydrophobicContact CD1-CD2 4.12Å; L329-N350 HydrophobicContact CB-CB 4.26Å; L329-N350 WeakPolarHBondContact CB-OD1 3.41Å; L329-N350 WeakPolarHBondContact CG-OD1 3.37Å; L329-N350 PolarHBondContact N-OD1 3.23Å; L329-N350 VanDerWaalsContact N-OD1 3.13Å; L329-R351 CarbonylContact O-C 3.5Å; L329-R351 WeakPolarHBondContact O-CA 3.37Å; L329-R351 PolarHBondContact O-N 2.86Å; L329-L352 HydrophobicContact CB-CD2 3.91Å; L329-L352 WeakPolarHBondContact O-CA 3.46Å; L329-L352 WeakPolarHBondContact O-CD2 3.23Å; L329-L352 PolarHBondContact O-N 3.11Å | ||
| 330 | E | 89.6 | Confident | 89.8 | Confident | 98 Ų | 98 | 35.4 Ų | 35.4 | 46% | 0.458 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -85.6 | -34.9 | 172.8 | -66.6 | 175 | -172.7 | 0 | 0 | 112 | R328 R351 L352 M353 | R328-E330 PolarHBondContact O-N 3.02Å; E330-R351 WeakPolarHBondContact CA-O 3.22Å; E330-L352 CarbonylContact O-C 3.59Å; E330-L352 WeakPolarHBondContact O-CA 3.45Å; E330-M353 PolarHBondContact O-N 3.19Å |
| 331 | L | 87.5 | Confident | 89.6 | Confident | 52 Ų | 52 | 36.1 Ų | 36.1 | 27% | 0.272 | 16% | 0.162 | S | C | . | . | trans | -142.8 | 165.2 | 179.8 | -66.8 | 172.6 | 0 | 0 | 0 | 109.2 | F306 M353 T354 | F306-L331 HydrophobicContact CB-CB 4.32Å; F306-L331 HydrophobicContact CD2-CB 3.46Å; F306-L331 VanDerWaalsContact CD2-CB 3.46Å; F306-L331 WeakPolarHBondContact CD2-O 3.28Å; F306-L331 HydrophobicContact CE2-CB 3.88Å; F306-L331 HydrophobicContact CG-CB 3.97Å; L331-M353 HydrophobicContact CD1-CE 4.49Å; L331-M353 HydrophobicContact CD2-CB 4.5Å; L331-M353 HydrophobicContact CD2-CE 4.2Å; L331-M353 HydrophobicContact CG-CE 4.33Å; L331-T354 HydrophobicContact CD2-CG2 3.62Å | ||
| 332 | V | 89.2 | Confident | 89.4 | Confident | 9 Ų | 9 | 35.3 Ų | 35.3 | 6% | 0.055 | 16% | 0.158 | C | C | . | . | trans | -120.2 | 132.4 | 171 | 179.2 | 0 | 0 | 0 | 0 | 108.8 | E334 L336 L347 L352 P356 | V332-E334 PolarHBondContact O-N 3.36Å; V332-L336 HydrophobicContact CG1-CB 4.02Å; V332-L336 HydrophobicContact CG1-CD2 3.54Å; V332-L336 HydrophobicContact CG1-CG 4.43Å; V332-L347 HydrophobicContact CG2-CD1 3.84Å; V332-L347 HydrophobicContact CG2-CD2 4.32Å; V332-L352 HydrophobicContact CG2-CD2 3.78Å; V332-P356 WeakPolarHBondContact O-CG 3.32Å | ||
| 333 | P | 87.6 | Confident | 89.1 | Confident | 10 Ų | 10 | 40.2 Ų | 40.2 | 7% | 0.065 | 18% | 0.176 | C | C | . | . | trans | -60.2 | 138.6 | 179.7 | 21.7 | -31.8 | 0 | 0 | 0 | 111.7 | F306 I309 I313 G335 L336 | F306-P333 HydrophobicContact CE2-CB 4.28Å; I309-P333 HydrophobicContact CB-CG 4.12Å; I309-P333 HydrophobicContact CG2-CG 3.68Å; I313-P333 HydrophobicContact CG2-CG 4.24Å; P333-G335 PolarHBondContact O-N 3.07Å; P333-L336 PolarHBondContact O-N 3.23Å | ||
| 334 | E | 83.8 | Confident | 88.9 | Confident | 90 Ų | 90 | 43.1 Ų | 43.1 | 42% | 0.421 | 19% | 0.189 | S | C | . | . | G | 310 helix | trans | -58 | -23.6 | 177.2 | -169.4 | 175.7 | -161.3 | 0 | 0 | 112 | V332 L336 C337 P356 K430 | V332-E334 PolarHBondContact O-N 3.36Å; E334-L336 PolarHBondContact O-N 3.49Å; E334-C337 WeakPolarHBondContact O-CB 3.41Å; E334-C337 PolarHBondContact O-N 3.06Å; E334-P356 HydrophobicContact CG-CB 4.37Å; E334-K430 IonicContact OE1-NZ 3.78Å; E334-K430 PolarHBondContact OE1-NZ 3.03Å |
| 335 | G | 84.7 | Confident | 88.9 | Confident | 7 Ų | 7 | 43.1 Ų | 43.1 | 7% | 0.072 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -51.1 | -34.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | G314 P333 C337 R338 | G314-G335 WeakPolarHBondContact CA-O 3.24Å; G314-G335 PolarHBondContact N-O 3.28Å; P333-G335 PolarHBondContact O-N 3.07Å; G335-C337 VanDerWaalsContact C-N 3.28Å; G335-C337 PolarHBondContact O-N 3.11Å; G335-R338 VanDerWaalsContact O-CB 3.3Å; G335-R338 WeakPolarHBondContact O-CB 3.41Å; G335-R338 PolarHBondContact O-N 3.17Å |
| 336 | L | 87.9 | Confident | 88.8 | Confident | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -61 | -38.7 | 178.6 | -176.3 | 67.9 | 0 | 0 | 0 | 111.7 | I313 L319 F322 V332 P333 E334 R338 C339 L342 | I313-L336 HydrophobicContact CD1-CD1 4.3Å; I313-L336 HydrophobicContact CG2-CB 4.31Å; L319-L336 HydrophobicContact CD2-CD1 4.36Å; F322-L336 HydrophobicContact CB-CD1 4.2Å; F322-L336 HydrophobicContact CD1-CD1 3.89Å; F322-L336 HydrophobicContact CD1-CD2 3.8Å; F322-L336 HydrophobicContact CD2-CD1 4.49Å; F322-L336 HydrophobicContact CE1-CD1 4.42Å; F322-L336 HydrophobicContact CE1-CD2 4.12Å; F322-L336 HydrophobicContact CG-CD1 3.93Å; V332-L336 HydrophobicContact CG1-CB 4.02Å; V332-L336 HydrophobicContact CG1-CD2 3.54Å; V332-L336 HydrophobicContact CG1-CG 4.43Å; P333-L336 PolarHBondContact O-N 3.23Å; E334-L336 PolarHBondContact O-N 3.49Å; L336-R338 PolarHBondContact O-N 2.86Å; L336-R338 VanDerWaalsContact O-N 3.13Å; L336-C339 WeakPolarHBondContact O-CB 3.45Å; L336-C339 PolarHBondContact O-N 3.4Å; L336-C339 PolarHBondContact O-SG 3.44Å; L336-L342 HydrophobicContact CD1-CD1 4.29Å; L336-L342 HydrophobicContact CD1-CD2 4.25Å; L336-L342 HydrophobicContact CG-CD2 4.13Å |
| 337 | C | 86 | Confident | 88.7 | Confident | 6 Ų | 6 | 39.9 Ų | 39.9 | 4% | 0.041 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -70.6 | -6.2 | 177.8 | -59.8 | 0 | 0 | 0 | 0 | 113 | E334 G335 S358 I359 L362 | E334-C337 WeakPolarHBondContact O-CB 3.41Å; E334-C337 PolarHBondContact O-N 3.06Å; G335-C337 VanDerWaalsContact C-N 3.28Å; G335-C337 PolarHBondContact O-N 3.11Å; C337-S358 WeakPolarHBondContact CB-OG 3.47Å; C337-S358 PolarHBondContact SG-OG 3.4Å; C337-I359 PolarHBondContact SG-N 3.01Å; C337-L362 WeakPolarHBondContact O-CD2 3.26Å |
| 338 | R | 84.2 | Confident | 88.6 | Confident | 120 Ų | 120 | 40.1 Ų | 40.1 | 45% | 0.453 | 18% | 0.177 | S | C | . | . | G | 310 helix | trans | -86 | -13.3 | 171.6 | -48.8 | -175.6 | 170.5 | 162 | -3.2 | 112.1 | G335 L336 V340 R437 | G335-R338 VanDerWaalsContact O-CB 3.3Å; G335-R338 WeakPolarHBondContact O-CB 3.41Å; G335-R338 PolarHBondContact O-N 3.17Å; L336-R338 PolarHBondContact O-N 2.86Å; L336-R338 VanDerWaalsContact O-N 3.13Å; R338-V340 PolarHBondContact O-N 3.41Å; R338-R437 VanDerWaalsContact C-NH1 3.32Å; R338-R437 PolarHBondContact O-NH1 2.95Å |
| 339 | C | 89 | Confident | 88.7 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | trans | -71.5 | 90.9 | 174.9 | -57.6 | 0 | 0 | 0 | 0 | 109.2 | L319 L336 K341 L342 | L319-C339 HydrophobicContact CB-CB 4.26Å; L336-C339 WeakPolarHBondContact O-CB 3.45Å; L336-C339 PolarHBondContact O-N 3.4Å; L336-C339 PolarHBondContact O-SG 3.44Å; C339-K341 PolarHBondContact O-N 3.09Å; C339-L342 HydrophobicContact CB-CB 4.29Å; C339-L342 HydrophobicContact CB-CD1 4.02Å; C339-L342 VanDerWaalsContact O-CB 3.24Å; C339-L342 WeakPolarHBondContact O-CB 3.3Å; C339-L342 PolarHBondContact O-N 3.48Å | ||
| 340 | V | 85.2 | Confident | 88.7 | Confident | 21 Ų | 21 | 37.1 Ų | 37.1 | 13% | 0.127 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -21.4 | -169 | -68 | 0 | 0 | 0 | 0 | 114.4 | V317 R338 L434 R437 | V317-V340 HydrophobicContact CG1-CG2 3.8Å; R338-V340 PolarHBondContact O-N 3.41Å; V340-L434 HydrophobicContact CG1-CD2 4.09Å; V340-R437 HydrophobicContact CG1-CB 4.05Å; V340-R437 HydrophobicContact CG1-CG 4.37Å |
| 341 | K | 87.5 | Confident | 88.7 | Confident | 57 Ų | 57 | 39.4 Ų | 39.4 | 25% | 0.248 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 5.3 | 178.1 | -67 | -170.7 | -177.8 | 170 | 0 | 114 | N318 L319 E320 C339 R343 | N318-K341 PolarHBondContact OD1-NZ 3.32Å; N318-K341 VanDerWaalsContact OD1-NZ 3.08Å; L319-K341 CarbonylContact O-C 3.38Å; L319-K341 VanDerWaalsContact O-C 3.3Å; E320-K341 WeakPolarHBondContact CA-O 3.33Å; E320-K341 HydrophobicContact CG-CB 4.27Å; C339-K341 PolarHBondContact O-N 3.09Å; K341-R343 WeakPolarHBondContact O-CG 3.39Å; K341-R343 PolarHBondContact O-N 2.8Å |
| 342 | L | 91.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 16% | 0.161 | C | C | . | . | trans | -64.6 | 117.8 | -174.4 | -152.7 | 80 | 0 | 0 | 0 | 110.6 | L319 F322 L336 C339 V345 L362 D364 L365 | L319-L342 HydrophobicContact CB-CD1 4.43Å; L319-L342 HydrophobicContact CD2-CD1 3.93Å; L319-L342 HydrophobicContact CG-CD1 4.05Å; L319-L342 WeakPolarHBondContact O-CA 3.41Å; L319-L342 PolarHBondContact O-N 3.08Å; F322-L342 HydrophobicContact CB-CD1 4.15Å; L336-L342 HydrophobicContact CD1-CD1 4.29Å; L336-L342 HydrophobicContact CD1-CD2 4.25Å; L336-L342 HydrophobicContact CG-CD2 4.13Å; C339-L342 HydrophobicContact CB-CB 4.29Å; C339-L342 HydrophobicContact CB-CD1 4.02Å; C339-L342 VanDerWaalsContact O-CB 3.24Å; C339-L342 WeakPolarHBondContact O-CB 3.3Å; C339-L342 PolarHBondContact O-N 3.48Å; L342-V345 HydrophobicContact CD1-CG2 4.47Å; L342-V345 HydrophobicContact CD2-CG2 3.13Å; L342-V345 HydrophobicContact CG-CG2 3.69Å; L342-L362 HydrophobicContact CB-CD1 4.32Å; L342-L362 HydrophobicContact CD2-CD1 3.81Å; L342-D364 CarbonylContact O-C 3.55Å; L342-L365 WeakPolarHBondContact O-CA 3.41Å; L342-L365 PolarHBondContact O-N 3.19Å | ||
| 343 | R | 87.9 | Confident | 88.6 | Confident | 102 Ų | 102 | 41.1 Ų | 41.1 | 39% | 0.385 | 18% | 0.181 | S | C | . | . | trans | -105.6 | -34.4 | 179.9 | -60.2 | -166.5 | 179.7 | -71.1 | -10.5 | 113.1 | E320 K341 D364 V366 E367 | E320-R343 PolarHBondContact O-N 3.33Å; K341-R343 WeakPolarHBondContact O-CG 3.39Å; K341-R343 PolarHBondContact O-N 2.8Å; R343-D364 WeakPolarHBondContact CA-O 3.21Å; R343-D364 HydrophobicContact CG-CB 4.45Å; R343-D364 IonicContact CZ-OD2 2.71Å; R343-D364 IonicContact NH1-OD2 3.55Å; R343-D364 PolarHBondContact NH1-OD2 3.04Å; R343-D364 IonicContact NH2-OD2 2.77Å; R343-D364 PolarHBondContact NH2-OD2 3.47Å; R343-V366 PolarHBondContact O-N 2.8Å; R343-E367 PolarHBondContact O-N 2.88Å; R343-E367 VanDerWaalsContact O-N 3.11Å | ||
| 344 | K | 91.6 | Very high | 88.5 | Confident | 83 Ų | 83 | 43.1 Ų | 43.1 | 36% | 0.361 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 122.1 | -173.9 | -54 | -173.6 | 169.6 | -152.1 | 0 | 111.5 | E320 V321 F322 E367 | E320-K344 PolarHBondContact O-N 3.07Å; E320-K344 VanDerWaalsContact O-N 3.13Å; V321-K344 WeakPolarHBondContact CA-O 3.16Å; V321-K344 HydrophobicContact CG1-CB 4.2Å; V321-K344 HydrophobicContact CG2-CB 4.14Å; V321-K344 HydrophobicContact CG2-CD 4.32Å; V321-K344 HydrophobicContact CG2-CG 4.36Å; F322-K344 PolarHBondContact N-O 3.18Å; K344-E367 CarbonylContact C-O 3.58Å; K344-E367 WeakPolarHBondContact CA-O 3.38Å; K344-E367 HydrophobicContact CB-CB 4.21Å; K344-E367 WeakPolarHBondContact CD-OE2 3.35Å; K344-E367 WeakPolarHBondContact CE-OE2 3.31Å; K344-E367 HydrophobicContact CG-CB 4.03Å; K344-E367 IonicContact NZ-OE2 2.71Å; K344-E367 PolarHBondContact NZ-OE2 2.54Å |
| 345 | V | 93 | Very high | 88.6 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 117 | 178.1 | 178.3 | 0 | 0 | 0 | 0 | 109 | F322 L342 L347 L365 E367 L368 D369 | F322-V345 VanDerWaalsContact O-CA 3.27Å; F322-V345 WeakPolarHBondContact O-CA 3.21Å; L342-V345 HydrophobicContact CD1-CG2 4.47Å; L342-V345 HydrophobicContact CD2-CG2 3.13Å; L342-V345 HydrophobicContact CG-CG2 3.69Å; V345-L347 HydrophobicContact CG1-CD1 3.68Å; V345-L347 HydrophobicContact CG1-CD2 4.41Å; V345-L347 HydrophobicContact CG1-CG 3.7Å; V345-L365 HydrophobicContact CB-CD1 4.21Å; V345-L365 HydrophobicContact CG2-CD1 3.69Å; V345-E367 PolarHBondContact N-O 3.38Å; V345-L368 HydrophobicContact CB-CD1 3.85Å; V345-L368 HydrophobicContact CG1-CD1 3.8Å; V345-L368 WeakPolarHBondContact O-CA 3.48Å; V345-D369 PolarHBondContact O-N 3.07Å |
| 346 | K | 91.4 | Very high | 88.6 | Confident | 56 Ų | 56 | 39.8 Ų | 39.8 | 24% | 0.243 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 116.4 | 173.6 | -67.9 | -172.1 | -174.6 | -157.4 | 0 | 109.4 | F322 H323 A324 A325 E367 D369 | F322-K346 PolarHBondContact O-N 2.92Å; H323-K346 HydrophobicContact CB-CB 4.32Å; H323-K346 VanDerWaalsContact CE1-CG 3.46Å; H323-K346 WeakPolarHBondContact CE1-CG 3.35Å; A324-K346 CarbonylContact C-O 3.44Å; A324-K346 PolarHBondContact N-O 3.34Å; A325-K346 PolarHBondContact N-O 2.74Å; K346-E367 WeakPolarHBondContact CE-OE1 3.45Å; K346-E367 IonicContact NZ-OE1 2.7Å; K346-E367 PolarHBondContact NZ-OE1 2.8Å; K346-D369 HydrophobicContact CG-CB 4.12Å |
| 347 | L | 91.5 | Very high | 88.1 | Confident | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | trans | -131.1 | 19.6 | 179.1 | -56.3 | 167.2 | 0 | 0 | 0 | 110.9 | F322 A324 L329 V332 V345 N350 L352 D369 L370 N373 | F322-L347 HydrophobicContact CD1-CD2 4.42Å; F322-L347 HydrophobicContact CE1-CD2 4.04Å; A324-L347 HydrophobicContact CB-CD2 4.05Å; L329-L347 HydrophobicContact CD1-CD2 4.12Å; V332-L347 HydrophobicContact CG2-CD1 3.84Å; V332-L347 HydrophobicContact CG2-CD2 4.32Å; V345-L347 HydrophobicContact CG1-CD1 3.68Å; V345-L347 HydrophobicContact CG1-CD2 4.41Å; V345-L347 HydrophobicContact CG1-CG 3.7Å; L347-N350 PolarHBondContact O-ND2 3.49Å; L347-L352 HydrophobicContact CB-CD1 3.82Å; L347-L352 HydrophobicContact CD1-CD1 4.17Å; L347-D369 CarbonylContact C-O 3.59Å; L347-D369 PolarHBondContact N-O 2.84Å; L347-L370 HydrophobicContact CB-CD2 4.05Å; L347-L370 HydrophobicContact CD1-CD2 3.96Å; L347-N373 PolarHBondContact O-ND2 2.88Å; L347-N373 VanDerWaalsContact O-ND2 3.12Å | ||
| 348 | N | 91.3 | Very high | 87.7 | Confident | 16 Ų | 16 | 41.7 Ų | 41.7 | 9% | 0.086 | 20% | 0.197 | C | C | . | . | trans | -63.4 | 153.3 | 177.7 | 63.2 | -77.6 | 0 | 0 | 0 | 111.1 | A325 Y326 N350 D369 R371 | A325-N348 CarbonylContact C-O 3.4Å; A325-N348 WeakPolarHBondContact CA-O 3.36Å; A325-N348 WeakPolarHBondContact CB-O 3.43Å; A325-N348 WeakPolarHBondContact CB-OD1 3.49Å; Y326-N348 PolarHBondContact N-O 3.05Å; N348-N350 PolarHBondContact O-ND2 3.19Å; N348-D369 PolarHBondContact N-O 3.39Å; N348-R371 CarbonylContact C-O 3.43Å; N348-R371 WeakPolarHBondContact CA-O 3.43Å; N348-R371 HydrophobicContact CB-CB 4.33Å; N348-R371 VanDerWaalsContact CB-O 3.24Å; N348-R371 WeakPolarHBondContact CB-O 3.37Å | ||
| 349 | N | 92.2 | Very high | 87.6 | Confident | 43 Ų | 43 | 36.1 Ų | 36.1 | 23% | 0.23 | 18% | 0.177 | C | C | . | . | S | Bend | trans | 58.8 | 54.6 | -179.7 | -64.1 | 79 | 0 | 0 | 0 | 112.5 | Y326 N327 R371 N372 | Y326-N349 WeakPolarHBondContact CA-O 3.43Å; Y326-N349 HydrophobicContact CD1-CB 3.48Å; Y326-N349 VanDerWaalsContact CD1-CB 3.48Å; Y326-N349 HydrophobicContact CD2-CB 4.17Å; Y326-N349 HydrophobicContact CE1-CB 3.64Å; Y326-N349 WeakPolarHBondContact CE1-ND2 3.3Å; Y326-N349 HydrophobicContact CE2-CB 4.29Å; Y326-N349 HydrophobicContact CG-CB 3.77Å; Y326-N349 PolarHBondContact N-O 3.05Å; N327-N349 PolarHBondContact N-O 2.78Å; N349-R371 PolarHBondContact N-O 3.16Å; N349-N372 VanDerWaalsContact CA-O 3.3Å; N349-N372 WeakPolarHBondContact CA-O 3.46Å; N349-N372 HydrophobicContact CB-CB 4.38Å; N349-N372 PolarHBondContact N-O 2.96Å; N349-N372 PolarHBondContact ND2-ND2 2.96Å; N349-N372 PolarHBondContact OD1-ND2 3.4Å |
| 350 | N | 91.2 | Very high | 87 | Confident | 8 Ų | 8 | 39.7 Ų | 39.7 | 4% | 0.043 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -125.2 | -169.4 | 173.8 | -85.7 | -75.9 | 0 | 0 | 0 | 110.1 | A324 N327 L329 L347 N348 L352 N373 | A324-N350 PolarHBondContact O-ND2 3.02Å; N327-N350 WeakPolarHBondContact CA-OD1 3.18Å; N327-N350 WeakPolarHBondContact CB-OD1 3.43Å; N327-N350 PolarHBondContact N-OD1 3.2Å; N327-N350 PolarHBondContact O-OD1 3.36Å; N327-N350 VanDerWaalsContact O-OD1 3.09Å; L329-N350 HydrophobicContact CB-CB 4.26Å; L329-N350 WeakPolarHBondContact CB-OD1 3.41Å; L329-N350 WeakPolarHBondContact CG-OD1 3.37Å; L329-N350 PolarHBondContact N-OD1 3.23Å; L329-N350 VanDerWaalsContact N-OD1 3.13Å; L347-N350 PolarHBondContact O-ND2 3.49Å; N348-N350 PolarHBondContact O-ND2 3.19Å; N350-L352 HydrophobicContact CB-CD1 4.47Å; N350-L352 HydrophobicContact CB-CG 3.96Å; N350-N373 WeakPolarHBondContact CA-OD1 3.34Å; N350-N373 WeakPolarHBondContact CB-OD1 3.48Å; N350-N373 PolarHBondContact N-OD1 3.34Å; N350-N373 PolarHBondContact O-OD1 2.75Å |
| 351 | R | 88.3 | Confident | 86.5 | Confident | 146 Ų | 146 | 40.6 Ų | 40.6 | 55% | 0.551 | 20% | 0.195 | S | C | * | . | trans | -110 | 32.4 | 173.8 | -61.8 | -178 | -177.9 | -178.7 | -1.8 | 111.7 | L329 E330 M353 N373 | L329-R351 CarbonylContact O-C 3.5Å; L329-R351 WeakPolarHBondContact O-CA 3.37Å; L329-R351 PolarHBondContact O-N 2.86Å; E330-R351 WeakPolarHBondContact CA-O 3.22Å; R351-M353 PolarHBondContact O-N 3.09Å; R351-N373 PolarHBondContact N-OD1 2.71Å | ||
| 352 | L | 87.9 | Confident | 86.1 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -64.6 | 121.8 | -169.8 | -67.9 | 173.8 | 0 | 0 | 0 | 111.1 | L329 E330 V332 L347 N350 I355 L370 N373 D375 L376 | L329-L352 HydrophobicContact CB-CD2 3.91Å; L329-L352 WeakPolarHBondContact O-CA 3.46Å; L329-L352 WeakPolarHBondContact O-CD2 3.23Å; L329-L352 PolarHBondContact O-N 3.11Å; E330-L352 CarbonylContact O-C 3.59Å; E330-L352 WeakPolarHBondContact O-CA 3.45Å; V332-L352 HydrophobicContact CG2-CD2 3.78Å; L347-L352 HydrophobicContact CB-CD1 3.82Å; L347-L352 HydrophobicContact CD1-CD1 4.17Å; N350-L352 HydrophobicContact CB-CD1 4.47Å; N350-L352 HydrophobicContact CB-CG 3.96Å; L352-I355 HydrophobicContact CD1-CG2 4.34Å; L352-L370 HydrophobicContact CD1-CD2 4.28Å; L352-N373 HydrophobicContact CB-CB 4.27Å; L352-N373 WeakPolarHBondContact CB-OD1 3.39Å; L352-N373 WeakPolarHBondContact CG-OD1 3.13Å; L352-N373 PolarHBondContact N-OD1 3.12Å; L352-D375 CarbonylContact O-C 3.3Å; L352-L376 HydrophobicContact CB-CD1 3.87Å; L352-L376 WeakPolarHBondContact O-CA 2.92Å; L352-L376 WeakPolarHBondContact O-CB 3.22Å; L352-L376 PolarHBondContact O-N 2.8Å | ||
| 353 | M | 86.4 | Confident | 85.3 | Confident | 96 Ų | 96 | 42.5 Ų | 42.5 | 47% | 0.473 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -79.2 | -38.1 | 170.8 | -60.7 | -167.5 | -52.8 | 0 | 0 | 111.3 | E330 L331 R351 M377 | E330-M353 PolarHBondContact O-N 3.19Å; L331-M353 HydrophobicContact CD1-CE 4.49Å; L331-M353 HydrophobicContact CD2-CB 4.5Å; L331-M353 HydrophobicContact CD2-CE 4.2Å; L331-M353 HydrophobicContact CG-CE 4.33Å; R351-M353 PolarHBondContact O-N 3.09Å; M353-M377 WeakPolarHBondContact O-CB 3.21Å; M353-M377 PolarHBondContact O-N 3.09Å |
| 354 | T | 86.1 | Confident | 84.9 | Confident | 52 Ų | 52 | 39.2 Ų | 39.2 | 32% | 0.319 | 21% | 0.209 | S | C | . | . | trans | -157.5 | 170.7 | 177.1 | -162.2 | 0 | 0 | 0 | 0 | 111 | L331 M377 | L331-T354 HydrophobicContact CD2-CG2 3.62Å; T354-M377 WeakPolarHBondContact CB-O 3.38Å; T354-M377 PolarHBondContact OG1-O 2.99Å | ||
| 355 | I | 86.8 | Confident | 84.5 | Confident | 5 Ų | 5 | 37 Ų | 37 | 3% | 0.026 | 20% | 0.201 | C | C | . | . | trans | -122.4 | 153.6 | 172.7 | 61.7 | -176.5 | 0 | 0 | 0 | 109 | L352 G357 I359 L370 L376 V378 P379 | L352-I355 HydrophobicContact CD1-CG2 4.34Å; I355-G357 PolarHBondContact O-N 3Å; I355-I359 HydrophobicContact CD1-CG2 3.79Å; I355-I359 HydrophobicContact CG1-CG2 4.27Å; I355-L370 HydrophobicContact CD1-CD1 3.59Å; I355-L370 HydrophobicContact CG2-CD1 4.41Å; I355-L370 HydrophobicContact CG2-CD2 4.07Å; I355-L376 HydrophobicContact CG2-CD1 4.28Å; I355-V378 HydrophobicContact CD1-CG1 4.21Å; I355-P379 HydrophobicContact CG1-CG 3.99Å; I355-P379 WeakPolarHBondContact O-CG 3.33Å | ||
| 356 | P | 84.4 | Confident | 83.9 | Confident | 22 Ų | 22 | 42.3 Ų | 42.3 | 14% | 0.143 | 23% | 0.234 | C | C | . | . | trans | -60.7 | 127.9 | 173.9 | -20.4 | 31.4 | 0 | 0 | 0 | 110.9 | V332 E334 S358 I359 | V332-P356 WeakPolarHBondContact O-CG 3.32Å; E334-P356 HydrophobicContact CG-CB 4.37Å; P356-S358 PolarHBondContact O-N 3.14Å; P356-I359 WeakPolarHBondContact O-CB 3.09Å; P356-I359 VanDerWaalsContact O-CG2 3.27Å; P356-I359 WeakPolarHBondContact O-CG2 3.36Å; P356-I359 PolarHBondContact O-N 2.66Å | ||
| 357 | G | 76.1 | Confident | 83.6 | Confident | 38 Ų | 38 | 42.5 Ų | 42.5 | 39% | 0.392 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -61.2 | -17.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | I355 I359 Y360 | I355-G357 PolarHBondContact O-N 3Å; G357-I359 PolarHBondContact O-N 3.1Å; G357-Y360 WeakPolarHBondContact O-CD2 3.3Å; G357-Y360 PolarHBondContact O-N 2.81Å |
| 358 | S | 79.4 | Confident | 83.4 | Confident | 9 Ų | 9 | 45.2 Ų | 45.2 | 6% | 0.063 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -66.5 | -13.7 | 171.8 | 42.7 | 0 | 0 | 0 | 0 | 113.9 | C337 P356 Y360 L361 | C337-S358 WeakPolarHBondContact CB-OG 3.47Å; C337-S358 PolarHBondContact SG-OG 3.4Å; P356-S358 PolarHBondContact O-N 3.14Å; S358-Y360 PolarHBondContact O-N 2.89Å; S358-L361 VanDerWaalsContact O-CB 3.31Å; S358-L361 WeakPolarHBondContact O-CB 3.42Å; S358-L361 PolarHBondContact O-N 3.5Å |
| 359 | I | 81 | Confident | 83.2 | Confident | 4 Ų | 4 | 45.2 Ų | 45.2 | 2% | 0.021 | 25% | 0.25 | C | C | . | . | G | 310 helix | trans | -62.4 | -30.7 | 177.5 | -155.7 | 160.6 | 0 | 0 | 0 | 112 | C337 I355 P356 G357 L361 L362 L365 L368 | C337-I359 PolarHBondContact SG-N 3.01Å; I355-I359 HydrophobicContact CD1-CG2 3.79Å; I355-I359 HydrophobicContact CG1-CG2 4.27Å; P356-I359 WeakPolarHBondContact O-CB 3.09Å; P356-I359 VanDerWaalsContact O-CG2 3.27Å; P356-I359 WeakPolarHBondContact O-CG2 3.36Å; P356-I359 PolarHBondContact O-N 2.66Å; G357-I359 PolarHBondContact O-N 3.1Å; I359-L361 PolarHBondContact O-N 3Å; I359-L362 HydrophobicContact CG1-CD1 4.1Å; I359-L362 WeakPolarHBondContact O-CB 3.39Å; I359-L362 PolarHBondContact O-N 3.33Å; I359-L365 HydrophobicContact CG1-CD2 4.07Å; I359-L368 HydrophobicContact CD1-CD1 3.79Å; I359-L368 HydrophobicContact CD1-CD2 4.23Å; I359-L368 HydrophobicContact CG1-CD2 4.42Å; I359-L368 HydrophobicContact CG2-CD2 4.43Å |
| 360 | Y | 76 | Confident | 83 | Confident | 74 Ų | 74 | 44.6 Ų | 44.6 | 29% | 0.29 | 25% | 0.246 | S | C | . | . | G | 310 helix | trans | -70 | -14.5 | 174.6 | -60.5 | -63 | 0 | 0 | 0 | 113.6 | G357 S358 V378 P379 K381 | G357-Y360 WeakPolarHBondContact O-CD2 3.3Å; G357-Y360 PolarHBondContact O-N 2.81Å; S358-Y360 PolarHBondContact O-N 2.89Å; Y360-V378 WeakPolarHBondContact OH-CG1 3.29Å; Y360-P379 HydrophobicContact CE2-CG 4.27Å; Y360-P379 WeakPolarHBondContact CE2-O 3.29Å; Y360-P379 PolarHBondContact OH-O 3.24Å; Y360-K381 HydrophobicContact CD1-CB 4.46Å; Y360-K381 HydrophobicContact CD1-CG 4.09Å; Y360-K381 HydrophobicContact CE1-CB 4.07Å; Y360-K381 HydrophobicContact CE1-CG 4.15Å; Y360-K381 HydrophobicContact CE2-CB 4.24Å; Y360-K381 HydrophobicContact CG-CG 4.34Å |
| 361 | L | 76 | Confident | 82.8 | Confident | 40 Ų | 40 | 52.3 Ų | 52.3 | 21% | 0.209 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -89 | -5 | 179.7 | -55 | 176.6 | 0 | 0 | 0 | 112.6 | S358 I359 A363 V427 K430 V431 L434 | S358-L361 VanDerWaalsContact O-CB 3.31Å; S358-L361 WeakPolarHBondContact O-CB 3.42Å; S358-L361 PolarHBondContact O-N 3.5Å; I359-L361 PolarHBondContact O-N 3Å; L361-A363 PolarHBondContact O-N 3.31Å; L361-A363 VanDerWaalsContact O-N 3.17Å; L361-V427 HydrophobicContact CD2-CG1 3.99Å; L361-K430 HydrophobicContact CD1-CB 3.53Å; L361-K430 HydrophobicContact CD1-CD 4.38Å; L361-V431 HydrophobicContact CD2-CG2 3.74Å; L361-L434 HydrophobicContact CB-CD1 3.29Å; L361-L434 HydrophobicContact CD1-CD1 4.03Å; L361-L434 HydrophobicContact CG-CD1 4.3Å |
| 362 | L | 79 | Confident | 82.7 | Confident | 13 Ų | 13 | 50.5 Ų | 50.5 | 7% | 0.068 | 28% | 0.276 | C | S | . | . | trans | -75.9 | 98.9 | 175.2 | -66.4 | 172.2 | 0 | 0 | 0 | 109.7 | C337 L342 I359 D364 L365 | C337-L362 WeakPolarHBondContact O-CD2 3.26Å; L342-L362 HydrophobicContact CB-CD1 4.32Å; L342-L362 HydrophobicContact CD2-CD1 3.81Å; I359-L362 HydrophobicContact CG1-CD1 4.1Å; I359-L362 WeakPolarHBondContact O-CB 3.39Å; I359-L362 PolarHBondContact O-N 3.33Å; L362-D364 VanDerWaalsContact C-N 3.26Å; L362-D364 PolarHBondContact O-N 2.8Å; L362-L365 HydrophobicContact CB-CB 3.86Å; L362-L365 HydrophobicContact CB-CD2 4.47Å; L362-L365 HydrophobicContact CD1-CD2 4.34Å; L362-L365 WeakPolarHBondContact O-CB 3.09Å; L362-L365 PolarHBondContact O-N 2.92Å | ||
| 363 | A | 74.1 | Confident | 82.5 | Confident | 84 Ų | 84 | 51.3 Ų | 51.3 | 69% | 0.694 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -31.3 | -176 | 0 | 0 | 0 | 0 | 0 | 114 | L361 | L361-A363 PolarHBondContact O-N 3.31Å; L361-A363 VanDerWaalsContact O-N 3.17Å |
| 364 | D | 78.9 | Confident | 82.2 | Confident | 34 Ų | 34 | 51.9 Ų | 51.9 | 18% | 0.182 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -0.5 | -174.8 | -84.1 | 29.4 | 0 | 0 | 0 | 113.4 | L342 R343 L362 V366 R438 | L342-D364 CarbonylContact O-C 3.55Å; R343-D364 WeakPolarHBondContact CA-O 3.21Å; R343-D364 HydrophobicContact CG-CB 4.45Å; R343-D364 IonicContact CZ-OD2 2.71Å; R343-D364 IonicContact NH1-OD2 3.55Å; R343-D364 PolarHBondContact NH1-OD2 3.04Å; R343-D364 IonicContact NH2-OD2 2.77Å; R343-D364 PolarHBondContact NH2-OD2 3.47Å; L362-D364 VanDerWaalsContact C-N 3.26Å; L362-D364 PolarHBondContact O-N 2.8Å; D364-V366 WeakPolarHBondContact O-CG2 3.43Å; D364-V366 PolarHBondContact O-N 3.5Å; D364-R438 IonicContact OD1-NH1 2.54Å |
| 365 | L | 83.1 | Confident | 81.9 | Confident | 37 Ų | 37 | 54.9 Ų | 54.9 | 19% | 0.194 | 31% | 0.305 | C | S | . | . | trans | -72.8 | 107.3 | -176.9 | -171.5 | 68.8 | 0 | 0 | 0 | 110.5 | L342 V345 I359 L362 L368 | L342-L365 WeakPolarHBondContact O-CA 3.41Å; L342-L365 PolarHBondContact O-N 3.19Å; V345-L365 HydrophobicContact CB-CD1 4.21Å; V345-L365 HydrophobicContact CG2-CD1 3.69Å; I359-L365 HydrophobicContact CG1-CD2 4.07Å; L362-L365 HydrophobicContact CB-CB 3.86Å; L362-L365 HydrophobicContact CB-CD2 4.47Å; L362-L365 HydrophobicContact CD1-CD2 4.34Å; L362-L365 WeakPolarHBondContact O-CB 3.09Å; L362-L365 PolarHBondContact O-N 2.92Å; L365-L368 HydrophobicContact CD2-CB 4.1Å; L365-L368 HydrophobicContact CD2-CD2 4.26Å | ||
| 366 | V | 81.7 | Confident | 81.7 | Confident | 111 Ų | 111 | 56.4 Ų | 56.4 | 67% | 0.673 | 31% | 0.313 | S | S | * | . | trans | -92.3 | -39.4 | -178.9 | -177.9 | 0 | 0 | 0 | 0 | 111.5 | R343 D364 | R343-V366 PolarHBondContact O-N 2.8Å; D364-V366 WeakPolarHBondContact O-CG2 3.43Å; D364-V366 PolarHBondContact O-N 3.5Å | ||
| 367 | E | 84 | Confident | 81.3 | Confident | 59 Ų | 59 | 62.5 Ų | 62.5 | 28% | 0.276 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 112.8 | -170.7 | -167.8 | 176.2 | 171.5 | 0 | 0 | 109 | R343 K344 V345 K346 | R343-E367 PolarHBondContact O-N 2.88Å; R343-E367 VanDerWaalsContact O-N 3.11Å; K344-E367 CarbonylContact C-O 3.58Å; K344-E367 WeakPolarHBondContact CA-O 3.38Å; K344-E367 HydrophobicContact CB-CB 4.21Å; K344-E367 WeakPolarHBondContact CD-OE2 3.35Å; K344-E367 WeakPolarHBondContact CE-OE2 3.31Å; K344-E367 HydrophobicContact CG-CB 4.03Å; K344-E367 IonicContact NZ-OE2 2.71Å; K344-E367 PolarHBondContact NZ-OE2 2.54Å; V345-E367 PolarHBondContact N-O 3.38Å; K346-E367 WeakPolarHBondContact CE-OE1 3.45Å; K346-E367 IonicContact NZ-OE1 2.7Å; K346-E367 PolarHBondContact NZ-OE1 2.8Å |
| 368 | L | 88.5 | Confident | 81.2 | Confident | 58 Ų | 58 | 63.8 Ų | 63.8 | 30% | 0.304 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 101.8 | 173.1 | 178 | 61.1 | 0 | 0 | 0 | 108.9 | V345 I359 L365 L370 | V345-L368 HydrophobicContact CB-CD1 3.85Å; V345-L368 HydrophobicContact CG1-CD1 3.8Å; V345-L368 WeakPolarHBondContact O-CA 3.48Å; I359-L368 HydrophobicContact CD1-CD1 3.79Å; I359-L368 HydrophobicContact CD1-CD2 4.23Å; I359-L368 HydrophobicContact CG1-CD2 4.42Å; I359-L368 HydrophobicContact CG2-CD2 4.43Å; L365-L368 HydrophobicContact CD2-CB 4.1Å; L365-L368 HydrophobicContact CD2-CD2 4.26Å; L368-L370 HydrophobicContact CD1-CD2 3.97Å; L368-L370 HydrophobicContact CD1-CG 4.15Å; L368-L370 HydrophobicContact CD2-CD1 4.13Å; L368-L370 HydrophobicContact CG-CD1 4.17Å; L368-L370 HydrophobicContact CG-CD2 4.4Å; L368-L370 HydrophobicContact CG-CG 4.03Å |
| 369 | D | 86.8 | Confident | 80.7 | Confident | 17 Ų | 17 | 65.1 Ų | 65.1 | 9% | 0.091 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 113.3 | 179.8 | -163.8 | -8.4 | 0 | 0 | 0 | 110.7 | V345 K346 L347 N348 R371 | V345-D369 PolarHBondContact O-N 3.07Å; K346-D369 HydrophobicContact CG-CB 4.12Å; L347-D369 CarbonylContact C-O 3.59Å; L347-D369 PolarHBondContact N-O 2.84Å; N348-D369 PolarHBondContact N-O 3.39Å; D369-R371 WeakPolarHBondContact OD1-CB 3.35Å; D369-R371 VanDerWaalsContact OD1-CG 3.31Å; D369-R371 WeakPolarHBondContact OD1-CG 3.49Å; D369-R371 IonicContact OD1-CZ 2.86Å; D369-R371 PolarHBondContact OD1-N 3.39Å; D369-R371 IonicContact OD1-NE 2.94Å; D369-R371 PolarHBondContact OD1-NE 3.22Å; D369-R371 IonicContact OD1-NH2 3.83Å; D369-R371 IonicContact OD2-CZ 3.33Å; D369-R371 IonicContact OD2-NE 3.78Å; D369-R371 PolarHBondContact OD2-NE 3.04Å; D369-R371 IonicContact OD2-NH2 3.76Å; D369-R371 PolarHBondContact OD2-NH2 2.84Å |
| 370 | L | 88.2 | Confident | 79.4 | Confident | 29 Ų | 29 | 72.7 Ų | 72.7 | 15% | 0.152 | 39% | 0.387 | C | S | . | . | trans | -118.4 | 9.8 | -179.6 | -59 | 175 | 0 | 0 | 0 | 112.7 | L347 L352 I355 L368 N373 L376 | L347-L370 HydrophobicContact CB-CD2 4.05Å; L347-L370 HydrophobicContact CD1-CD2 3.96Å; L352-L370 HydrophobicContact CD1-CD2 4.28Å; I355-L370 HydrophobicContact CD1-CD1 3.59Å; I355-L370 HydrophobicContact CG2-CD1 4.41Å; I355-L370 HydrophobicContact CG2-CD2 4.07Å; L368-L370 HydrophobicContact CD1-CD2 3.97Å; L368-L370 HydrophobicContact CD1-CG 4.15Å; L368-L370 HydrophobicContact CD2-CD1 4.13Å; L368-L370 HydrophobicContact CG-CD1 4.17Å; L368-L370 HydrophobicContact CG-CD2 4.4Å; L368-L370 HydrophobicContact CG-CG 4.03Å; L370-N373 PolarHBondContact O-ND2 2.7Å; L370-L376 HydrophobicContact CB-CD2 3.81Å; L370-L376 HydrophobicContact CD1-CD2 4.22Å | ||
| 371 | R | 86.8 | Confident | 78.3 | Confident | 170 Ų | 170 | 75.7 Ų | 75.7 | 64% | 0.642 | 40% | 0.402 | S | S | * | . | trans | -59.9 | 153.7 | -175 | -66.7 | 177.1 | -67.2 | 167.7 | 1.5 | 111.6 | N348 N349 D369 | N348-R371 CarbonylContact C-O 3.43Å; N348-R371 WeakPolarHBondContact CA-O 3.43Å; N348-R371 HydrophobicContact CB-CB 4.33Å; N348-R371 VanDerWaalsContact CB-O 3.24Å; N348-R371 WeakPolarHBondContact CB-O 3.37Å; N349-R371 PolarHBondContact N-O 3.16Å; D369-R371 WeakPolarHBondContact OD1-CB 3.35Å; D369-R371 VanDerWaalsContact OD1-CG 3.31Å; D369-R371 WeakPolarHBondContact OD1-CG 3.49Å; D369-R371 IonicContact OD1-CZ 2.86Å; D369-R371 PolarHBondContact OD1-N 3.39Å; D369-R371 IonicContact OD1-NE 2.94Å; D369-R371 PolarHBondContact OD1-NE 3.22Å; D369-R371 IonicContact OD1-NH2 3.83Å; D369-R371 IonicContact OD2-CZ 3.33Å; D369-R371 IonicContact OD2-NE 3.78Å; D369-R371 PolarHBondContact OD2-NE 3.04Å; D369-R371 IonicContact OD2-NH2 3.76Å; D369-R371 PolarHBondContact OD2-NH2 2.84Å | ||
| 372 | N | 84.9 | Confident | 77.2 | Confident | 108 Ų | 108 | 77.2 Ų | 77.2 | 58% | 0.578 | 41% | 0.414 | S | S | * | . | S | Bend | trans | 58.8 | 46.4 | 179.1 | -54.2 | -30.6 | 0 | 0 | 0 | 114.2 | N349 | N349-N372 VanDerWaalsContact CA-O 3.3Å; N349-N372 WeakPolarHBondContact CA-O 3.46Å; N349-N372 HydrophobicContact CB-CB 4.38Å; N349-N372 PolarHBondContact N-O 2.96Å; N349-N372 PolarHBondContact ND2-ND2 2.96Å; N349-N372 PolarHBondContact OD1-ND2 3.4Å |
| 373 | N | 84.9 | Confident | 75.5 | Confident | 18 Ų | 18 | 81.3 Ų | 81.3 | 10% | 0.096 | 44% | 0.44 | C | S | . | . | trans | -119.4 | 107.7 | 164.4 | -73.5 | -84.4 | 0 | 0 | 0 | 107.5 | L347 N350 R351 L352 L370 L376 | L347-N373 PolarHBondContact O-ND2 2.88Å; L347-N373 VanDerWaalsContact O-ND2 3.12Å; N350-N373 WeakPolarHBondContact CA-OD1 3.34Å; N350-N373 WeakPolarHBondContact CB-OD1 3.48Å; N350-N373 PolarHBondContact N-OD1 3.34Å; N350-N373 PolarHBondContact O-OD1 2.75Å; R351-N373 PolarHBondContact N-OD1 2.71Å; L352-N373 HydrophobicContact CB-CB 4.27Å; L352-N373 WeakPolarHBondContact CB-OD1 3.39Å; L352-N373 WeakPolarHBondContact CG-OD1 3.13Å; L352-N373 PolarHBondContact N-OD1 3.12Å; L370-N373 PolarHBondContact O-ND2 2.7Å; N373-L376 HydrophobicContact CB-CB 3.73Å; N373-L376 HydrophobicContact CB-CD2 4.06Å; N373-L376 HydrophobicContact CB-CG 4.42Å | ||
| 374 | P | 79.1 | Confident | 74 | Confident | 108 Ų | 108 | 85.8 Ų | 85.8 | 70% | 0.701 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -39.4 | -167.2 | 24.9 | -32.9 | 0 | 0 | 0 | 113.7 | ||
| 375 | D | 81.6 | Confident | 71.9 | Confident | 115 Ų | 115 | 91.4 Ų | 91.4 | 62% | 0.615 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97 | 17.1 | -175 | -56.2 | -47.5 | 0 | 0 | 0 | 113 | L352 M377 | L352-D375 CarbonylContact O-C 3.3Å; D375-M377 PolarHBondContact O-N 2.54Å |
| 376 | L | 80.7 | Confident | 69.5 | Low | 36 Ų | 36 | 99 Ų | 99 | 19% | 0.188 | 50% | 0.503 | C | S | . | . | trans | -74.4 | 99.4 | -171.1 | -179.1 | 63.7 | 0 | 0 | 0 | 112.2 | L352 I355 L370 N373 V378 | L352-L376 HydrophobicContact CB-CD1 3.87Å; L352-L376 WeakPolarHBondContact O-CA 2.92Å; L352-L376 WeakPolarHBondContact O-CB 3.22Å; L352-L376 PolarHBondContact O-N 2.8Å; I355-L376 HydrophobicContact CG2-CD1 4.28Å; L370-L376 HydrophobicContact CB-CD2 3.81Å; L370-L376 HydrophobicContact CD1-CD2 4.22Å; N373-L376 HydrophobicContact CB-CB 3.73Å; N373-L376 HydrophobicContact CB-CD2 4.06Å; N373-L376 HydrophobicContact CB-CG 4.42Å; L376-V378 HydrophobicContact CD1-CG2 4.38Å; L376-V378 HydrophobicContact CD2-CG2 3.75Å; L376-V378 HydrophobicContact CG-CG2 3.69Å; L376-V378 PolarHBondContact O-N 2.8Å | ||
| 377 | M | 77 | Confident | 67.5 | Low | 150 Ų | 150 | 98.2 Ų | 98.2 | 74% | 0.739 | 49% | 0.49 | S | S | * | . | trans | -80.8 | 90.1 | 162.4 | -73.7 | -77.3 | -66.9 | 0 | 0 | 109 | M353 T354 D375 | M353-M377 WeakPolarHBondContact O-CB 3.21Å; M353-M377 PolarHBondContact O-N 3.09Å; T354-M377 WeakPolarHBondContact CB-O 3.38Å; T354-M377 PolarHBondContact OG1-O 2.99Å; D375-M377 PolarHBondContact O-N 2.54Å | ||
| 378 | V | 73.1 | Confident | 65.1 | Low | 66 Ų | 66 | 104.2 Ų | 104.2 | 40% | 0.4 | 52% | 0.515 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 121.3 | 172.7 | -176.2 | 0 | 0 | 0 | 0 | 108.3 | I355 Y360 L376 M380 | I355-V378 HydrophobicContact CD1-CG1 4.21Å; Y360-V378 WeakPolarHBondContact OH-CG1 3.29Å; L376-V378 HydrophobicContact CD1-CG2 4.38Å; L376-V378 HydrophobicContact CD2-CG2 3.75Å; L376-V378 HydrophobicContact CG-CG2 3.69Å; L376-V378 PolarHBondContact O-N 2.8Å; V378-M380 PolarHBondContact O-N 3.47Å |
| 379 | P | 69 | Low | 62.4 | Low | 37 Ų | 37 | 108.8 Ų | 108.8 | 24% | 0.24 | 54% | 0.54 | C | S | . | . | P | Polyproline II helix | trans | -58.3 | 137.4 | 174.6 | 26.4 | -32.9 | 0 | 0 | 0 | 108.3 | I355 Y360 K381 | I355-P379 HydrophobicContact CG1-CG 3.99Å; I355-P379 WeakPolarHBondContact O-CG 3.33Å; Y360-P379 HydrophobicContact CE2-CG 4.27Å; Y360-P379 WeakPolarHBondContact CE2-O 3.29Å; Y360-P379 PolarHBondContact OH-O 3.24Å; P379-K381 PolarHBondContact O-N 3.14Å |
| 380 | M | 54 | Low | 60.1 | Low | 163 Ų | 163 | 114.1 Ų | 114.1 | 80% | 0.803 | 56% | 0.559 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 120.1 | -179.6 | -63.9 | -172.9 | 91.4 | 0 | 0 | 108 | V378 V383 | V378-M380 PolarHBondContact O-N 3.47Å; M380-V383 HydrophobicContact CE-CG2 4.3Å |
| 381 | K | 53.7 | Low | 57.3 | Low | 137 Ų | 137 | 116.8 Ų | 116.8 | 60% | 0.596 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -48.8 | 130.1 | 164 | -174.5 | 178.7 | -179 | -179.2 | 0 | 105.4 | Y360 P379 V383 | Y360-K381 HydrophobicContact CD1-CB 4.46Å; Y360-K381 HydrophobicContact CD1-CG 4.09Å; Y360-K381 HydrophobicContact CE1-CB 4.07Å; Y360-K381 HydrophobicContact CE1-CG 4.15Å; Y360-K381 HydrophobicContact CE2-CB 4.24Å; Y360-K381 HydrophobicContact CG-CG 4.34Å; P379-K381 PolarHBondContact O-N 3.14Å; K381-V383 PolarHBondContact O-N 2.72Å |
| 382 | P | 51.5 | Low | 55.3 | Low | 71 Ų | 71 | 112.4 Ų | 112.4 | 46% | 0.461 | 57% | 0.571 | S | S | . | * | trans | -43.2 | 116.6 | 174.6 | -27.3 | 32.4 | 0 | 0 | 0 | 107.8 | E384 | P382-E384 PolarHBondContact O-N 2.89Š| ||
| 383 | V | 43.2 | Very low | 53.1 | Low | 100 Ų | 100 | 110.4 Ų | 110.4 | 61% | 0.606 | 56% | 0.556 | S | S | * | * | trans | -72.5 | 89.7 | -172.3 | -179.8 | 0 | 0 | 0 | 0 | 106.1 | M380 K381 Q385 | M380-V383 HydrophobicContact CE-CG2 4.3Å; K381-V383 PolarHBondContact O-N 2.72Å; V383-Q385 VanDerWaalsContact C-N 3.33Å; V383-Q385 PolarHBondContact O-N 2.93Å | ||
| 384 | E | 44 | Very low | 51 | Low | 177 Ų | 177 | 113.2 Ų | 113.2 | 83% | 0.827 | 57% | 0.571 | S | S | * | * | trans | -61.1 | 108.2 | 151 | -72.5 | -173.5 | 171.5 | 0 | 0 | 105.1 | P382 K386 | P382-E384 PolarHBondContact O-N 2.89Å; E384-K386 PolarHBondContact O-N 3.31Å | ||
| 385 | Q | 34.4 | Very low | 49.7 | Very low | 152 Ų | 152 | 108.7 Ų | 108.7 | 71% | 0.71 | 54% | 0.541 | S | S | * | . | trans | -37.4 | 113.1 | -177.4 | -74 | 167 | -37.8 | 0 | 0 | 110.4 | V383 K387 | V383-Q385 VanDerWaalsContact C-N 3.33Å; V383-Q385 PolarHBondContact O-N 2.93Å; Q385-K387 VanDerWaalsContact C-N 3.34Å; Q385-K387 PolarHBondContact O-N 3.15Å | ||
| 386 | K | 33.8 | Very low | 48.6 | Very low | 197 Ų | 197 | 105.2 Ų | 105.2 | 86% | 0.857 | 52% | 0.522 | S | S | * | . | trans | -61.4 | 94.5 | 178.2 | -76.9 | 179.5 | 174.5 | 177.1 | 0 | 108.6 | E384 K388 | E384-K386 PolarHBondContact O-N 3.31Å; K386-K388 PolarHBondContact O-N 3.14Å | ||
| 387 | K | 39.1 | Very low | 47.7 | Very low | 95 Ų | 95 | 104.6 Ų | 104.6 | 41% | 0.413 | 52% | 0.518 | S | S | . | . | trans | -58.7 | 103.1 | 167.3 | -75.4 | 177.4 | 178 | 160.1 | 0 | 108.7 | Q385 H401 | Q385-K387 VanDerWaalsContact C-N 3.34Å; Q385-K387 PolarHBondContact O-N 3.15Å; K387-H401 PolarHBondContact NZ-CD2 3.07Å; K387-H401 PolarHBondContact NZ-NE2 3.32Å | ||
| 388 | K | 32.2 | Very low | 47.4 | Very low | 185 Ų | 185 | 99.9 Ų | 99.9 | 80% | 0.804 | 50% | 0.5 | S | S | * | . | trans | -59.3 | 143.6 | 168.4 | -83.3 | 177.6 | 167.8 | 179.7 | 0 | 109 | K386 | K386-K388 PolarHBondContact O-N 3.14Š| ||
| 389 | D | 33.7 | Very low | 47.2 | Very low | 153 Ų | 153 | 98 Ų | 98 | 82% | 0.818 | 49% | 0.487 | S | S | * | . | trans | 72.2 | 62 | 162.4 | -49.3 | -25.5 | 0 | 0 | 0 | 117.7 | A391 | D389-A391 PolarHBondContact O-N 3.15Š| ||
| 390 | R | 37.5 | Very low | 47.3 | Very low | 129 Ų | 129 | 104.2 Ų | 104.2 | 49% | 0.487 | 51% | 0.513 | S | S | . | . | trans | -84.8 | 91.4 | 173.9 | -79.6 | -178.6 | 156.2 | 167.5 | -6.6 | 112.9 | F392 | R390-F392 PolarHBondContact O-N 2.71Š| ||
| 391 | A | 30.3 | Very low | 48 | Very low | 86 Ų | 86 | 98 Ų | 98 | 71% | 0.711 | 48% | 0.482 | S | S | * | . | trans | -74.4 | 97.8 | 168 | 0 | 0 | 0 | 0 | 0 | 112 | D389 Y393 | D389-A391 PolarHBondContact O-N 3.15Å; A391-Y393 VanDerWaalsContact C-N 3.29Å; A391-Y393 PolarHBondContact O-N 2.77Å | ||
| 392 | F | 42.8 | Very low | 48.8 | Very low | 78 Ų | 78 | 91.8 Ų | 91.8 | 34% | 0.342 | 46% | 0.455 | S | S | . | . | S | Bend | trans | 35.6 | 0.2 | 148.2 | -98.3 | -95.1 | 0 | 0 | 0 | 126 | R390 A858 V861 | R390-F392 PolarHBondContact O-N 2.71Å; F392-A858 HydrophobicContact CD1-CB 4.35Å; F392-A858 HydrophobicContact CD2-CB 3.17Å; F392-A858 HydrophobicContact CE1-CB 4.48Å; F392-A858 HydrophobicContact CE2-CB 3.35Å; F392-A858 HydrophobicContact CG-CB 3.75Å; F392-A858 HydrophobicContact CZ-CB 4.05Å; F392-V861 HydrophobicContact CE1-CB 3.77Å; F392-V861 HydrophobicContact CE1-CG1 4.47Å; F392-V861 HydrophobicContact CE1-CG2 3.56Å; F392-V861 HydrophobicContact CZ-CB 3.66Å; F392-V861 HydrophobicContact CZ-CG1 4.13Å; F392-V861 HydrophobicContact CZ-CG2 4Å |
| 393 | Y | 39.5 | Very low | 49.6 | Very low | 65 Ų | 65 | 90.9 Ų | 90.9 | 26% | 0.255 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -133.9 | 104.5 | 151.2 | -67.5 | -83.9 | 0 | 0 | 0 | 104.5 | A391 I395 F854 T855 R856 I877 | A391-Y393 VanDerWaalsContact C-N 3.29Å; A391-Y393 PolarHBondContact O-N 2.77Å; Y393-I395 PolarHBondContact O-N 2.9Å; Y393-F854 WeakPolarHBondContact OH-CA 3.39Å; Y393-F854 PolarHBondContact OH-O 3.49Å; Y393-T855 PolarHBondContact OH-N 3.07Å; Y393-R856 PolarHBondContact OH-N 3.03Å; Y393-I877 HydrophobicContact CD1-CD1 4.25Å |
| 394 | N | 40.7 | Very low | 50.9 | Low | 78 Ų | 78 | 92.4 Ų | 92.4 | 42% | 0.417 | 44% | 0.444 | S | S | . | . | trans | -70.8 | 38.2 | -169.5 | -83.8 | -23.9 | 0 | 0 | 0 | 113.9 | ||||
| 395 | I | 53.1 | Low | 51.7 | Low | 12 Ų | 12 | 87.5 Ų | 87.5 | 6% | 0.062 | 42% | 0.423 | C | S | . | . | trans | -90.3 | 97.3 | 153.8 | -55.5 | 151.9 | 0 | 0 | 0 | 105 | Y393 F397 I877 T879 L1231 | Y393-I395 PolarHBondContact O-N 2.9Å; I395-F397 VanDerWaalsContact C-N 3.33Å; I395-F397 HydrophobicContact CB-CD2 3.97Å; I395-F397 HydrophobicContact CB-CE2 3.67Å; I395-F397 HydrophobicContact CB-CZ 4.34Å; I395-F397 HydrophobicContact CD1-CE2 4.23Å; I395-F397 HydrophobicContact CG2-CD1 4.28Å; I395-F397 HydrophobicContact CG2-CD2 3.53Å; I395-F397 HydrophobicContact CG2-CE1 4.08Å; I395-F397 HydrophobicContact CG2-CE2 3.3Å; I395-F397 HydrophobicContact CG2-CG 4.03Å; I395-F397 HydrophobicContact CG2-CZ 3.61Å; I395-F397 WeakPolarHBondContact O-CD2 3.48Å; I395-F397 PolarHBondContact O-N 3.05Å; I395-I877 HydrophobicContact CD1-CB 4.24Å; I395-I877 HydrophobicContact CD1-CG2 3.79Å; I395-I877 HydrophobicContact CG1-CB 4.27Å; I395-I877 HydrophobicContact CG1-CG2 4.28Å; I395-T879 HydrophobicContact CB-CG2 4.21Å; I395-T879 HydrophobicContact CD1-CG2 3.23Å; I395-T879 HydrophobicContact CG1-CG2 3.44Å; I395-T879 VanDerWaalsContact CG1-CG2 3.44Å; I395-T879 HydrophobicContact CG2-CG2 3.78Å; I395-T879 WeakPolarHBondContact CG2-OG1 3.46Å; I395-L1231 HydrophobicContact CD1-CD2 4.12Å | ||
| 396 | D | 57.3 | Low | 52.9 | Low | 42 Ų | 42 | 81.3 Ų | 81.3 | 23% | 0.225 | 40% | 0.397 | C | S | . | . | trans | -72.1 | 96.6 | 171.5 | 173.8 | 7.8 | 0 | 0 | 0 | 107.4 | S398 H401 Q402 | D396-S398 VanDerWaalsContact CG-OG 3.29Å; D396-S398 PolarHBondContact O-N 3Å; D396-S398 WeakPolarHBondContact OD1-CB 3.28Å; D396-S398 PolarHBondContact OD1-N 3.18Å; D396-S398 PolarHBondContact OD1-OG 3.34Å; D396-S398 PolarHBondContact OD2-OG 2.82Å; D396-H401 HydrophobicContact CB-CB 4.26Å; D396-H401 VanDerWaalsContact CB-ND1 3.33Å; D396-H401 WeakPolarHBondContact CB-ND1 3.47Å; D396-H401 VanDerWaalsContact CG-CB 3.49Å; D396-H401 PolarHBondContact O-ND1 2.88Å; D396-H401 VanDerWaalsContact OD2-CB 3.28Å; D396-H401 WeakPolarHBondContact OD2-CB 3.48Å; D396-H401 IonicContact OD2-CD2 3.53Å; D396-H401 IonicContact OD2-CG 3.62Å; D396-H401 IonicContact OD2-ND1 3.97Å; D396-Q402 PolarHBondContact O-NE2 2.73Å | ||
| 397 | F | 61.6 | Low | 54 | Low | 24 Ų | 24 | 78.6 Ų | 78.6 | 11% | 0.105 | 39% | 0.387 | C | S | . | . | trans | -78.4 | 11.1 | 174.1 | -78.6 | -81.1 | 0 | 0 | 0 | 111.6 | I395 L399 L881 L1231 K1234 A1235 V1238 | I395-F397 VanDerWaalsContact C-N 3.33Å; I395-F397 HydrophobicContact CB-CD2 3.97Å; I395-F397 HydrophobicContact CB-CE2 3.67Å; I395-F397 HydrophobicContact CB-CZ 4.34Å; I395-F397 HydrophobicContact CD1-CE2 4.23Å; I395-F397 HydrophobicContact CG2-CD1 4.28Å; I395-F397 HydrophobicContact CG2-CD2 3.53Å; I395-F397 HydrophobicContact CG2-CE1 4.08Å; I395-F397 HydrophobicContact CG2-CE2 3.3Å; I395-F397 HydrophobicContact CG2-CG 4.03Å; I395-F397 HydrophobicContact CG2-CZ 3.61Å; I395-F397 WeakPolarHBondContact O-CD2 3.48Å; I395-F397 PolarHBondContact O-N 3.05Å; F397-L399 PolarHBondContact O-N 3.49Å; F397-L881 HydrophobicContact CD1-CD1 3.49Å; F397-L881 VanDerWaalsContact CD1-CD1 3.49Å; F397-L881 HydrophobicContact CE1-CD1 3.34Å; F397-L881 HydrophobicContact CE1-CD2 4.15Å; F397-L881 HydrophobicContact CE1-CG 4.32Å; F397-L881 HydrophobicContact CZ-CD1 4.42Å; F397-L1231 HydrophobicContact CE2-CD2 4.14Å; F397-L1231 HydrophobicContact CZ-CD2 4.35Å; F397-K1234 HydrophobicContact CD1-CB 4.18Å; F397-K1234 HydrophobicContact CD2-CB 3.87Å; F397-K1234 HydrophobicContact CD2-CD 3.82Å; F397-K1234 HydrophobicContact CE1-CB 4.25Å; F397-K1234 HydrophobicContact CE2-CB 3.95Å; F397-K1234 HydrophobicContact CE2-CD 3.96Å; F397-K1234 HydrophobicContact CG-CB 3.99Å; F397-K1234 HydrophobicContact CZ-CB 4.14Å; F397-A1235 HydrophobicContact CD1-CB 4.49Å; F397-A1235 HydrophobicContact CE1-CB 3.84Å; F397-V1238 HydrophobicContact CB-CG2 3.65Å; F397-V1238 HydrophobicContact CD1-CG2 3.8Å; F397-V1238 HydrophobicContact CG-CG2 4.19Å; F397-V1238 WeakPolarHBondContact O-CG2 3.42Å | ||
| 398 | S | 71 | Confident | 54.7 | Low | 51 Ų | 51 | 77.9 Ų | 77.9 | 36% | 0.357 | 40% | 0.399 | S | S | . | . | trans | -61.5 | 139.5 | 170.6 | 64.5 | 0 | 0 | 0 | 0 | 109.9 | D396 E400 H401 Q402 | D396-S398 VanDerWaalsContact CG-OG 3.29Å; D396-S398 PolarHBondContact O-N 3Å; D396-S398 WeakPolarHBondContact OD1-CB 3.28Å; D396-S398 PolarHBondContact OD1-N 3.18Å; D396-S398 PolarHBondContact OD1-OG 3.34Å; D396-S398 PolarHBondContact OD2-OG 2.82Å; S398-E400 VanDerWaalsContact C-N 3.27Å; S398-E400 PolarHBondContact O-N 2.6Å; S398-H401 PolarHBondContact O-N 3.39Å; S398-H401 VanDerWaalsContact O-N 3.13Å; S398-H401 WeakPolarHBondContact OG-CB 3.33Å; S398-H401 PolarHBondContact OG-N 2.8Å; S398-Q402 PolarHBondContact O-N 2.81Å; S398-Q402 VanDerWaalsContact O-N 3.11Å | ||
| 399 | L | 69.9 | Low | 55 | Low | 25 Ų | 25 | 76.3 Ų | 76.3 | 13% | 0.131 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -54.9 | -45.3 | -179.1 | 179.3 | 59.3 | 0 | 0 | 0 | 111.6 | F397 H401 Q402 L403 F885 V1238 E1241 H1242 | F397-L399 PolarHBondContact O-N 3.49Å; L399-H401 VanDerWaalsContact C-N 3.32Å; L399-H401 PolarHBondContact O-N 2.93Å; L399-Q402 PolarHBondContact O-N 3Å; L399-L403 HydrophobicContact CD1-CD1 4.01Å; L399-L403 HydrophobicContact CD1-CG 4.11Å; L399-L403 HydrophobicContact CG-CD1 3.94Å; L399-L403 HydrophobicContact CG-CG 4.46Å; L399-L403 WeakPolarHBondContact O-CB 3.43Å; L399-L403 WeakPolarHBondContact O-CG 3.45Å; L399-L403 PolarHBondContact O-N 2.74Å; L399-F885 HydrophobicContact CD1-CE1 3.82Å; L399-V1238 HydrophobicContact CB-CG1 4.35Å; L399-V1238 HydrophobicContact CD1-CG1 4.05Å; L399-E1241 HydrophobicContact CD2-CG 4.19Å; L399-H1242 HydrophobicContact CD1-CB 3.51Å; L399-H1242 HydrophobicContact CD2-CB 4.44Å |
| 400 | E | 69.7 | Low | 55 | Low | 169 Ų | 169 | 72.1 Ų | 72.1 | 79% | 0.79 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -59.1 | -40.2 | 178.3 | -65.2 | -179 | 179 | 0 | 0 | 112.9 | S398 K404 | S398-E400 VanDerWaalsContact C-N 3.27Å; S398-E400 PolarHBondContact O-N 2.6Å; E400-K404 PolarHBondContact O-N 3.01Å |
| 401 | H | 69.2 | Low | 55 | Low | 32 Ų | 32 | 71.8 Ų | 71.8 | 15% | 0.148 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -69.3 | -42.3 | 179.3 | 178.8 | -121.5 | 0 | 0 | 0 | 112.6 | K387 D396 S398 L399 K404 L405 | K387-H401 PolarHBondContact NZ-CD2 3.07Å; K387-H401 PolarHBondContact NZ-NE2 3.32Å; D396-H401 HydrophobicContact CB-CB 4.26Å; D396-H401 VanDerWaalsContact CB-ND1 3.33Å; D396-H401 WeakPolarHBondContact CB-ND1 3.47Å; D396-H401 VanDerWaalsContact CG-CB 3.49Å; D396-H401 PolarHBondContact O-ND1 2.88Å; D396-H401 VanDerWaalsContact OD2-CB 3.28Å; D396-H401 WeakPolarHBondContact OD2-CB 3.48Å; D396-H401 IonicContact OD2-CD2 3.53Å; D396-H401 IonicContact OD2-CG 3.62Å; D396-H401 IonicContact OD2-ND1 3.97Å; S398-H401 PolarHBondContact O-N 3.39Å; S398-H401 VanDerWaalsContact O-N 3.13Å; S398-H401 WeakPolarHBondContact OG-CB 3.33Å; S398-H401 PolarHBondContact OG-N 2.8Å; L399-H401 VanDerWaalsContact C-N 3.32Å; L399-H401 PolarHBondContact O-N 2.93Å; H401-K404 PolarHBondContact O-N 3.06Å; H401-L405 VanDerWaalsContact CE1-CD1 3.5Å; H401-L405 WeakPolarHBondContact CE1-CD1 3.28Å; H401-L405 PolarHBondContact O-N 2.76Å |
| 402 | Q | 69.8 | Low | 55 | Low | 7 Ų | 7 | 73.1 Ų | 73.1 | 3% | 0.033 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -71.5 | -38.7 | -177 | -67.8 | -63.6 | -21 | 0 | 0 | 111.6 | D396 S398 L399 K404 L405 S406 L881 F885 | D396-Q402 PolarHBondContact O-NE2 2.73Å; S398-Q402 PolarHBondContact O-N 2.81Å; S398-Q402 VanDerWaalsContact O-N 3.11Å; L399-Q402 PolarHBondContact O-N 3Å; Q402-K404 VanDerWaalsContact C-N 3.32Å; Q402-K404 PolarHBondContact O-N 2.86Å; Q402-L405 PolarHBondContact O-N 3.36Å; Q402-S406 PolarHBondContact O-N 3.15Å; Q402-S406 PolarHBondContact O-OG 3.46Å; Q402-L881 HydrophobicContact CG-CD1 4.12Å; Q402-F885 HydrophobicContact CB-CE1 4.48Å; Q402-F885 HydrophobicContact CB-CE2 3.61Å; Q402-F885 HydrophobicContact CB-CZ 3.52Å; Q402-F885 HydrophobicContact CG-CE2 4.46Å; Q402-F885 HydrophobicContact CG-CZ 4.35Å |
| 403 | L | 68.7 | Low | 54.2 | Low | 52 Ų | 52 | 74.5 Ų | 74.5 | 27% | 0.272 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -58.1 | -45 | 172 | -73.3 | 172.5 | 0 | 0 | 0 | 111.5 | L399 L405 S406 E407 F885 | L399-L403 HydrophobicContact CD1-CD1 4.01Å; L399-L403 HydrophobicContact CD1-CG 4.11Å; L399-L403 HydrophobicContact CG-CD1 3.94Å; L399-L403 HydrophobicContact CG-CG 4.46Å; L399-L403 WeakPolarHBondContact O-CB 3.43Å; L399-L403 WeakPolarHBondContact O-CG 3.45Å; L399-L403 PolarHBondContact O-N 2.74Å; L403-L405 VanDerWaalsContact C-N 3.3Å; L403-L405 PolarHBondContact O-N 2.67Å; L403-S406 WeakPolarHBondContact CA-OG 3.43Å; L403-S406 PolarHBondContact O-N 2.83Å; L403-S406 VanDerWaalsContact O-N 3.12Å; L403-S406 PolarHBondContact O-OG 3.38Å; L403-E407 WeakPolarHBondContact O-CG 3.37Å; L403-E407 PolarHBondContact O-N 3.29Å; L403-F885 HydrophobicContact CD2-CD1 3.92Å; L403-F885 HydrophobicContact CD2-CE1 4.49Å; L403-F885 HydrophobicContact CD2-CG 4.38Å |
| 404 | K | 70.5 | Confident | 53.7 | Low | 131 Ų | 131 | 76.4 Ų | 76.4 | 57% | 0.57 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -61.9 | -33.2 | 177.2 | -172.7 | 172.7 | -176.3 | 168.7 | 0 | 113.9 | E400 H401 Q402 | E400-K404 PolarHBondContact O-N 3.01Å; H401-K404 PolarHBondContact O-N 3.06Å; Q402-K404 VanDerWaalsContact C-N 3.32Å; Q402-K404 PolarHBondContact O-N 2.86Å |
| 405 | L | 61.6 | Low | 53.1 | Low | 74 Ų | 74 | 79.2 Ų | 79.2 | 39% | 0.387 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -73.8 | -37.5 | 174.5 | -75.1 | 172.4 | 0 | 0 | 0 | 111.7 | H401 Q402 L403 A408 | H401-L405 VanDerWaalsContact CE1-CD1 3.5Å; H401-L405 WeakPolarHBondContact CE1-CD1 3.28Å; H401-L405 PolarHBondContact O-N 2.76Å; Q402-L405 PolarHBondContact O-N 3.36Å; L403-L405 VanDerWaalsContact C-N 3.3Å; L403-L405 PolarHBondContact O-N 2.67Å; L405-A408 PolarHBondContact O-N 2.91Å |
| 406 | S | 58.6 | Low | 51.8 | Low | 22 Ų | 22 | 84.1 Ų | 84.1 | 15% | 0.154 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -70.4 | -39 | 179.3 | 66 | 0 | 0 | 0 | 0 | 113.5 | Q402 L403 A408 W409 S410 | Q402-S406 PolarHBondContact O-N 3.15Å; Q402-S406 PolarHBondContact O-OG 3.46Å; L403-S406 WeakPolarHBondContact CA-OG 3.43Å; L403-S406 PolarHBondContact O-N 2.83Å; L403-S406 VanDerWaalsContact O-N 3.12Å; L403-S406 PolarHBondContact O-OG 3.38Å; S406-A408 PolarHBondContact O-N 3.36Å; S406-W409 PolarHBondContact O-N 3.27Å; S406-S410 PolarHBondContact O-N 3.01Å |
| 407 | E | 58 | Low | 50.5 | Low | 140 Ų | 140 | 87.9 Ų | 87.9 | 65% | 0.654 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.6 | -29.2 | 176.4 | -73.9 | 176.9 | 176 | 0 | 0 | 112.5 | L403 W409 | L403-E407 WeakPolarHBondContact O-CG 3.37Å; L403-E407 PolarHBondContact O-N 3.29Å; E407-W409 PolarHBondContact O-N 3.03Å |
| 408 | A | 53.1 | Low | 48.8 | Very low | 80 Ų | 80 | 91.8 Ų | 91.8 | 66% | 0.661 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -13.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | L405 S406 | L405-A408 PolarHBondContact O-N 2.91Å; S406-A408 PolarHBondContact O-N 3.36Å |
| 409 | W | 39.1 | Very low | 46.7 | Very low | 152 Ų | 152 | 97.5 Ų | 97.5 | 58% | 0.576 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.9 | -0.9 | -178.3 | -65.4 | -5.1 | 0 | 0 | 0 | 113.6 | S406 E407 P411 D880 | S406-W409 PolarHBondContact O-N 3.27Å; E407-W409 PolarHBondContact O-N 3.03Å; W409-P411 WeakPolarHBondContact O-CD 3.35Å; W409-D880 HydrophobicContact CZ3-CB 4.49Å; W409-D880 WeakPolarHBondContact CZ3-OD1 3.47Å |
| 410 | S | 33 | Very low | 44.9 | Very low | 65 Ų | 65 | 100.3 Ų | 100.3 | 46% | 0.455 | 60% | 0.599 | S | S | . | * | trans | -63.9 | 120.9 | 172.2 | -61 | 0 | 0 | 0 | 0 | 110.4 | S406 S412 | S406-S410 PolarHBondContact O-N 3.01Å; S410-S412 PolarHBondContact O-N 3.37Å; S410-S412 VanDerWaalsContact O-N 3.08Å | ||
| 411 | P | 37.4 | Very low | 43 | Very low | 123 Ų | 123 | 98.3 Ų | 98.3 | 80% | 0.799 | 60% | 0.604 | S | S | * | * | trans | -76.9 | 13.4 | -175.8 | -7.8 | 23.9 | 0 | 0 | 0 | 114.7 | W409 S413 | W409-P411 WeakPolarHBondContact O-CD 3.35Å; P411-S413 PolarHBondContact O-N 3.08Å | ||
| 412 | S | 30 | Very low | 41.4 | Very low | 113 Ų | 113 | 102.5 Ų | 102.5 | 79% | 0.79 | 63% | 0.631 | S | S | * | * | trans | -77.7 | 64.1 | 175.9 | 49.4 | 0 | 0 | 0 | 0 | 111.4 | S410 | S410-S412 PolarHBondContact O-N 3.37Å; S410-S412 VanDerWaalsContact O-N 3.08Å | ||
| 413 | S | 27.4 | Very low | 39.8 | Very low | 107 Ų | 107 | 106.4 Ų | 106.4 | 75% | 0.748 | 67% | 0.665 | S | S | * | * | trans | -119.7 | 64.7 | 163.3 | 62.2 | 0 | 0 | 0 | 0 | 109.6 | P411 | P411-S413 PolarHBondContact O-N 3.08Š| ||
| 414 | S | 28.6 | Very low | 38.4 | Very low | 106 Ų | 106 | 111.9 Ų | 111.9 | 74% | 0.741 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -136.3 | 98.9 | 163.2 | -55.3 | 0 | 0 | 0 | 0 | 108.2 | ||
| 415 | V | 27.6 | Very low | 37.4 | Very low | 137 Ų | 137 | 109.1 Ų | 109.1 | 83% | 0.83 | 68% | 0.678 | S | S | * | * | S | Bend | trans | 37.1 | 94.9 | 150.1 | -164.2 | 0 | 0 | 0 | 0 | 116.4 | ||
| 416 | S | 25.6 | Very low | 37 | Very low | 115 Ų | 115 | 110 Ų | 110 | 80% | 0.804 | 69% | 0.688 | S | S | * | * | trans | 157.8 | 97.3 | 131.1 | -71.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 417 | S | 29.2 | Very low | 36.9 | Very low | 120 Ų | 120 | 111.6 Ų | 111.6 | 84% | 0.839 | 70% | 0.697 | S | S | * | * | trans | -170.8 | 114.9 | 132.3 | 59.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 418 | S | 26.7 | Very low | 36.9 | Very low | 106 Ų | 106 | 108.1 Ų | 108.1 | 74% | 0.741 | 69% | 0.688 | S | S | * | * | trans | -53.9 | 157 | 169 | 49.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 419 | L | 27.4 | Very low | 37.2 | Very low | 172 Ų | 172 | 112.1 Ų | 112.1 | 90% | 0.901 | 69% | 0.686 | S | S | * | * | trans | 81.1 | 68.4 | 161.6 | -56.5 | 165.7 | 0 | 0 | 0 | 117.6 | ||||
| 420 | A | 31.5 | Very low | 38.3 | Very low | 83 Ų | 83 | 109.1 Ų | 109.1 | 69% | 0.686 | 68% | 0.677 | S | S | * | * | trans | -138 | 107.8 | 134.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | V422 | A420-V422 HydrophobicContact CB-CG2 4.2Å; A420-V422 PolarHBondContact O-N 2.83Å | ||
| 421 | S | 30 | Very low | 39.6 | Very low | 127 Ų | 127 | 108.2 Ų | 108.2 | 89% | 0.888 | 67% | 0.669 | S | S | * | * | trans | -66.7 | 70.6 | 169.1 | 55.4 | 0 | 0 | 0 | 0 | 109.5 | A423 | S421-A423 PolarHBondContact O-N 2.82Š| ||
| 422 | V | 35.1 | Very low | 40.7 | Very low | 120 Ų | 120 | 108.1 Ų | 108.1 | 73% | 0.727 | 66% | 0.658 | S | S | * | * | trans | -76.7 | 106.3 | 167.1 | -176.4 | 0 | 0 | 0 | 0 | 105.5 | A420 K424 | A420-V422 HydrophobicContact CB-CG2 4.2Å; A420-V422 PolarHBondContact O-N 2.83Å; V422-K424 PolarHBondContact O-N 3.4Å | ||
| 423 | A | 35.9 | Very low | 42.5 | Very low | 90 Ų | 90 | 107.9 Ų | 107.9 | 74% | 0.744 | 64% | 0.643 | S | S | * | * | trans | -43.9 | 108.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | S421 D425 | S421-A423 PolarHBondContact O-N 2.82Å; A423-D425 PolarHBondContact O-N 3.45Å | ||
| 424 | K | 41.1 | Very low | 44.1 | Very low | 167 Ų | 167 | 103.8 Ų | 103.8 | 73% | 0.726 | 61% | 0.612 | S | S | * | * | trans | -53.3 | 111.7 | -179.8 | -81.2 | -179.4 | 176.1 | 174.6 | 0 | 108.5 | V422 | V422-K424 PolarHBondContact O-N 3.4Š| ||
| 425 | D | 48.4 | Very low | 45.6 | Very low | 73 Ų | 73 | 107.4 Ų | 107.4 | 39% | 0.39 | 61% | 0.61 | S | S | . | * | trans | -49.5 | 122.7 | -174.1 | 176.5 | 8.7 | 0 | 0 | 0 | 111.1 | A423 V427 S428 R429 | A423-D425 PolarHBondContact O-N 3.45Å; D425-V427 PolarHBondContact O-N 3.5Å; D425-V427 VanDerWaalsContact O-N 3.13Å; D425-V427 WeakPolarHBondContact OD1-CB 3.25Å; D425-V427 WeakPolarHBondContact OD1-CG2 3.34Å; D425-V427 PolarHBondContact OD1-N 2.99Å; D425-V427 WeakPolarHBondContact OD2-CB 3.43Å; D425-S428 WeakPolarHBondContact O-CB 3.49Å; D425-S428 PolarHBondContact O-N 3.48Å; D425-R429 PolarHBondContact O-N 3.29Å | ||
| 426 | P | 53.3 | Low | 47.3 | Very low | 91 Ų | 91 | 110.1 Ų | 110.1 | 59% | 0.591 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -51.1 | -32.5 | 173.5 | -25.7 | 33.2 | 0 | 0 | 0 | 113.1 | R429 K430 | P426-R429 PolarHBondContact O-N 3.13Å; P426-K430 PolarHBondContact O-N 3.35Å; P426-K430 VanDerWaalsContact O-N 3.16Å |
| 427 | V | 57.4 | Low | 49 | Very low | 56 Ų | 56 | 106.8 Ų | 106.8 | 34% | 0.339 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -66.9 | -43.1 | 177.2 | -176.4 | 0 | 0 | 0 | 0 | 110.5 | L361 D425 R429 K430 V431 | L361-V427 HydrophobicContact CD2-CG1 3.99Å; D425-V427 PolarHBondContact O-N 3.5Å; D425-V427 VanDerWaalsContact O-N 3.13Å; D425-V427 WeakPolarHBondContact OD1-CB 3.25Å; D425-V427 WeakPolarHBondContact OD1-CG2 3.34Å; D425-V427 PolarHBondContact OD1-N 2.99Å; D425-V427 WeakPolarHBondContact OD2-CB 3.43Å; V427-R429 VanDerWaalsContact C-N 3.34Å; V427-R429 PolarHBondContact O-N 3.09Å; V427-K430 PolarHBondContact O-N 3.22Å; V427-K430 VanDerWaalsContact O-N 3.12Å; V427-V431 HydrophobicContact CG1-CG2 4.45Å; V427-V431 WeakPolarHBondContact O-CG2 3.36Å; V427-V431 PolarHBondContact O-N 3.23Å |
| 428 | S | 56.3 | Low | 50.4 | Low | 68 Ų | 68 | 105.8 Ų | 105.8 | 48% | 0.476 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -61 | -38.5 | 177.2 | -69.9 | 0 | 0 | 0 | 0 | 112.8 | D425 V431 Q432 | D425-S428 WeakPolarHBondContact O-CB 3.49Å; D425-S428 PolarHBondContact O-N 3.48Å; S428-V431 PolarHBondContact O-N 2.94Å; S428-Q432 PolarHBondContact O-N 3.02Å |
| 429 | R | 60.2 | Low | 51.8 | Low | 163 Ų | 163 | 102.5 Ų | 102.5 | 62% | 0.615 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65.5 | -41.9 | 172.8 | -67.3 | -172.5 | -148.7 | 169.1 | 7 | 112.3 | D425 P426 V427 Q432 F433 | D425-R429 PolarHBondContact O-N 3.29Å; P426-R429 PolarHBondContact O-N 3.13Å; V427-R429 VanDerWaalsContact C-N 3.34Å; V427-R429 PolarHBondContact O-N 3.09Å; R429-Q432 PolarHBondContact O-N 2.82Å; R429-F433 PolarHBondContact O-N 3Å |
| 430 | K | 61.3 | Low | 53.1 | Low | 89 Ų | 89 | 101.1 Ų | 101.1 | 39% | 0.387 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.7 | -39.2 | 177.4 | -72.2 | -170.4 | -176.3 | -164.9 | 0 | 111.5 | E334 L361 P426 V427 F433 L434 | E334-K430 IonicContact OE1-NZ 3.78Å; E334-K430 PolarHBondContact OE1-NZ 3.03Å; L361-K430 HydrophobicContact CD1-CB 3.53Å; L361-K430 HydrophobicContact CD1-CD 4.38Å; P426-K430 PolarHBondContact O-N 3.35Å; P426-K430 VanDerWaalsContact O-N 3.16Å; V427-K430 PolarHBondContact O-N 3.22Å; V427-K430 VanDerWaalsContact O-N 3.12Å; K430-F433 PolarHBondContact O-N 3.4Å; K430-L434 WeakPolarHBondContact O-CG 3.3Å; K430-L434 PolarHBondContact O-N 3.2Å |
| 431 | V | 60.6 | Low | 54.1 | Low | 47 Ų | 47 | 98.3 Ų | 98.3 | 29% | 0.285 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.2 | -46 | 173.2 | 172.7 | 0 | 0 | 0 | 0 | 111.3 | L361 V427 S428 F433 L434 R435 | L361-V431 HydrophobicContact CD2-CG2 3.74Å; V427-V431 HydrophobicContact CG1-CG2 4.45Å; V427-V431 WeakPolarHBondContact O-CG2 3.36Å; V427-V431 PolarHBondContact O-N 3.23Å; S428-V431 PolarHBondContact O-N 2.94Å; V431-F433 PolarHBondContact O-N 2.92Å; V431-L434 PolarHBondContact O-N 3.19Å; V431-R435 WeakPolarHBondContact O-CG 3.43Å; V431-R435 PolarHBondContact O-N 2.66Å |
| 432 | Q | 61.6 | Low | 55.2 | Low | 121 Ų | 121 | 96 Ų | 96 | 57% | 0.565 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -63.2 | -40.5 | 176.5 | -82 | -173.7 | -19.2 | 0 | 0 | 112.8 | S428 R429 R435 R436 | S428-Q432 PolarHBondContact O-N 3.02Å; R429-Q432 PolarHBondContact O-N 2.82Å; Q432-R435 PolarHBondContact O-N 2.69Å; Q432-R436 WeakPolarHBondContact O-CG 3.4Å; Q432-R436 PolarHBondContact O-N 3.36Å |
| 433 | F | 67.5 | Low | 56 | Low | 107 Ų | 107 | 92.3 Ų | 92.3 | 47% | 0.469 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.1 | -44.1 | 176.3 | 178.2 | -97.8 | 0 | 0 | 0 | 112.1 | R429 K430 V431 R436 R437 | R429-F433 PolarHBondContact O-N 3Å; K430-F433 PolarHBondContact O-N 3.4Å; V431-F433 PolarHBondContact O-N 2.92Å; F433-R436 PolarHBondContact O-N 2.75Å; F433-R437 PolarHBondContact O-N 2.82Å; F433-R437 VanDerWaalsContact O-N 3.09Å |
| 434 | L | 60.9 | Low | 56.6 | Low | 22 Ų | 22 | 94 Ų | 94 | 12% | 0.115 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -64.4 | -39 | 176.4 | -70.2 | 167 | 0 | 0 | 0 | 112 | V340 L361 K430 V431 R437 R438 | V340-L434 HydrophobicContact CG1-CD2 4.09Å; L361-L434 HydrophobicContact CB-CD1 3.29Å; L361-L434 HydrophobicContact CD1-CD1 4.03Å; L361-L434 HydrophobicContact CG-CD1 4.3Å; K430-L434 WeakPolarHBondContact O-CG 3.3Å; K430-L434 PolarHBondContact O-N 3.2Å; V431-L434 PolarHBondContact O-N 3.19Å; L434-R437 PolarHBondContact O-N 2.8Å; L434-R438 WeakPolarHBondContact O-CB 3.4Å; L434-R438 PolarHBondContact O-N 2.77Å |
| 435 | R | 61.1 | Low | 57 | Low | 181 Ų | 181 | 88.3 Ų | 88.3 | 68% | 0.683 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -62.3 | -44.7 | 173.3 | -75 | -178 | -178 | -178.8 | 1.5 | 112.5 | V431 Q432 R437 R438 G439 | V431-R435 WeakPolarHBondContact O-CG 3.43Å; V431-R435 PolarHBondContact O-N 2.66Å; Q432-R435 PolarHBondContact O-N 2.69Å; R435-R437 PolarHBondContact O-N 3.29Å; R435-R438 WeakPolarHBondContact O-CB 3.43Å; R435-R438 PolarHBondContact O-N 2.89Å; R435-G439 PolarHBondContact O-N 3.01Å |
| 436 | R | 62.1 | Low | 57.1 | Low | 194 Ų | 194 | 88.4 Ų | 88.4 | 73% | 0.732 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -61.1 | -42.8 | 177.2 | -75.3 | -178 | 179.5 | -176.9 | -0.7 | 112.3 | Q432 F433 R438 G439 Q440 | Q432-R436 WeakPolarHBondContact O-CG 3.4Å; Q432-R436 PolarHBondContact O-N 3.36Å; F433-R436 PolarHBondContact O-N 2.75Å; R436-R438 VanDerWaalsContact C-N 3.35Å; R436-G439 PolarHBondContact O-N 3.5Å; R436-Q440 PolarHBondContact O-N 3.16Å |
| 437 | R | 61.2 | Low | 57.1 | Low | 45 Ų | 45 | 89.6 Ų | 89.6 | 17% | 0.17 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -71.1 | -31.6 | -179.8 | -153.2 | 178.4 | -161.4 | -146.4 | 1.5 | 112.7 | G314 R338 V340 F433 L434 R435 Q440 T441 | G314-R437 VanDerWaalsContact O-CZ 3.24Å; G314-R437 PolarHBondContact O-NH1 3.07Å; G314-R437 PolarHBondContact O-NH2 2.82Å; R338-R437 VanDerWaalsContact C-NH1 3.32Å; R338-R437 PolarHBondContact O-NH1 2.95Å; V340-R437 HydrophobicContact CG1-CB 4.05Å; V340-R437 HydrophobicContact CG1-CG 4.37Å; F433-R437 PolarHBondContact O-N 2.82Å; F433-R437 VanDerWaalsContact O-N 3.09Å; L434-R437 PolarHBondContact O-N 2.8Å; R435-R437 PolarHBondContact O-N 3.29Å; R437-Q440 PolarHBondContact O-N 3.16Å; R437-T441 PolarHBondContact O-N 3.01Å; R437-T441 PolarHBondContact O-OG1 2.81Å |
| 438 | R | 59.3 | Low | 56.8 | Low | 99 Ų | 99 | 94 Ų | 94 | 37% | 0.374 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.8 | -45.9 | 168 | -171.7 | 179.2 | 178.4 | 154.4 | 8.6 | 111.2 | D364 L434 R435 R436 Q440 T441 E442 | D364-R438 IonicContact OD1-NH1 2.54Å; L434-R438 WeakPolarHBondContact O-CB 3.4Å; L434-R438 PolarHBondContact O-N 2.77Å; R435-R438 WeakPolarHBondContact O-CB 3.43Å; R435-R438 PolarHBondContact O-N 2.89Å; R436-R438 VanDerWaalsContact C-N 3.35Å; R438-Q440 VanDerWaalsContact C-N 3.29Å; R438-Q440 PolarHBondContact O-N 2.79Å; R438-T441 WeakPolarHBondContact CA-OG1 3.33Å; R438-T441 PolarHBondContact O-N 2.79Å; R438-T441 PolarHBondContact O-OG1 2.92Å; R438-T441 VanDerWaalsContact O-OG1 3.09Å; R438-E442 HydrophobicContact CG-CG 4.33Å; R438-E442 IonicContact CZ-OE1 3.68Å; R438-E442 IonicContact NE-OE1 3.47Å; R438-E442 PolarHBondContact NE-OE1 2.87Å; R438-E442 IonicContact NE-OE2 2.73Å; R438-E442 IonicContact NH2-OE1 3.49Å; R438-E442 PolarHBondContact NH2-OE1 3.34Å; R438-E442 PolarHBondContact O-N 2.85Å |
| 439 | G | 55.1 | Low | 56.9 | Low | 38 Ų | 38 | 97 Ų | 97 | 39% | 0.392 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -55.7 | -40.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | R435 R436 T441 A443 | R435-G439 PolarHBondContact O-N 3.01Å; R436-G439 PolarHBondContact O-N 3.5Å; G439-T441 VanDerWaalsContact C-N 3.32Å; G439-T441 PolarHBondContact O-N 3.06Å; G439-A443 WeakPolarHBondContact O-CB 3.29Å; G439-A443 PolarHBondContact O-N 2.88Å |
| 440 | Q | 56.1 | Low | 56.6 | Low | 143 Ų | 143 | 94.1 Ų | 94.1 | 67% | 0.668 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -66.4 | -27.6 | 174.2 | -77.4 | 179.7 | -19.9 | 0 | 0 | 114.2 | R436 R437 R438 | R436-Q440 PolarHBondContact O-N 3.16Å; R437-Q440 PolarHBondContact O-N 3.16Å; R438-Q440 VanDerWaalsContact C-N 3.29Å; R438-Q440 PolarHBondContact O-N 2.79Å |
| 441 | T | 51.5 | Low | 56.2 | Low | 23 Ų | 23 | 94.6 Ų | 94.6 | 14% | 0.141 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -92 | -29.8 | 179.8 | 23.4 | 0 | 0 | 0 | 0 | 114.1 | V317 R437 R438 G439 | V317-T441 HydrophobicContact CB-CG2 4.03Å; V317-T441 HydrophobicContact CG1-CG2 3.34Å; R437-T441 PolarHBondContact O-N 3.01Å; R437-T441 PolarHBondContact O-OG1 2.81Å; R438-T441 WeakPolarHBondContact CA-OG1 3.33Å; R438-T441 PolarHBondContact O-N 2.79Å; R438-T441 PolarHBondContact O-OG1 2.92Å; R438-T441 VanDerWaalsContact O-OG1 3.09Å; G439-T441 VanDerWaalsContact C-N 3.32Å; G439-T441 PolarHBondContact O-N 3.06Å |
| 442 | E | 53 | Low | 56.1 | Low | 78 Ų | 78 | 98 Ų | 98 | 36% | 0.364 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -78.6 | -37 | 174.6 | -76.6 | 174.4 | 171.6 | 0 | 0 | 110.9 | R438 D444 S445 D446 | R438-E442 HydrophobicContact CG-CG 4.33Å; R438-E442 IonicContact CZ-OE1 3.68Å; R438-E442 IonicContact NE-OE1 3.47Å; R438-E442 PolarHBondContact NE-OE1 2.87Å; R438-E442 IonicContact NE-OE2 2.73Å; R438-E442 IonicContact NH2-OE1 3.49Å; R438-E442 PolarHBondContact NH2-OE1 3.34Å; R438-E442 PolarHBondContact O-N 2.85Å; E442-D444 PolarHBondContact O-N 2.78Å; E442-S445 PolarHBondContact O-N 3.26Å; E442-S445 VanDerWaalsContact O-N 3.08Å; E442-D446 PolarHBondContact O-N 2.76Å |
| 443 | A | 52.3 | Low | 55.5 | Low | 43 Ų | 43 | 93.9 Ų | 93.9 | 36% | 0.355 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -53.8 | -50 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | G439 S445 Q447 | G439-A443 WeakPolarHBondContact O-CB 3.29Å; G439-A443 PolarHBondContact O-N 2.88Å; A443-S445 VanDerWaalsContact C-N 3.27Å; A443-S445 PolarHBondContact O-N 3.42Å; A443-Q447 WeakPolarHBondContact O-CA 3.5Å; A443-Q447 WeakPolarHBondContact O-CB 3.14Å; A443-Q447 PolarHBondContact O-N 3.05Å |
| 444 | D | 47.8 | Very low | 55 | Low | 126 Ų | 126 | 94.8 Ų | 94.8 | 67% | 0.674 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -65.3 | -23.6 | 178.9 | -89.7 | -2.7 | 0 | 0 | 0 | 114.8 | E442 K448 | E442-D444 PolarHBondContact O-N 2.78Å; D444-K448 WeakPolarHBondContact O-CB 3.32Å |
| 445 | S | 49.6 | Very low | 55.2 | Low | 48 Ų | 48 | 97.1 Ų | 97.1 | 34% | 0.336 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -90 | -48.7 | -179.5 | 167.9 | 0 | 0 | 0 | 0 | 111.4 | E442 A443 K448 K449 | E442-S445 PolarHBondContact O-N 3.26Å; E442-S445 VanDerWaalsContact O-N 3.08Å; A443-S445 VanDerWaalsContact C-N 3.27Å; A443-S445 PolarHBondContact O-N 3.42Å; S445-K448 PolarHBondContact O-N 2.88Å; S445-K449 WeakPolarHBondContact O-CG 3.5Å; S445-K449 PolarHBondContact O-N 3.21Å |
| 446 | D | 50.7 | Low | 55.3 | Low | 74 Ų | 74 | 92.4 Ų | 92.4 | 40% | 0.396 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -79.8 | -38.2 | -174.4 | -68.7 | -16 | 0 | 0 | 0 | 110.6 | E442 K448 K449 I450 | E442-D446 PolarHBondContact O-N 2.76Å; D446-K448 PolarHBondContact O-N 3.41Å; D446-K449 PolarHBondContact O-N 2.61Å; D446-K449 IonicContact OD1-NZ 3.39Å; D446-I450 VanDerWaalsContact O-CB 3.29Å; D446-I450 WeakPolarHBondContact O-CB 3.06Å; D446-I450 WeakPolarHBondContact O-CD1 3.21Å; D446-I450 WeakPolarHBondContact O-CG1 3.29Å; D446-I450 PolarHBondContact O-N 2.98Å |
| 447 | Q | 53 | Low | 55.3 | Low | 116 Ų | 116 | 87 Ų | 87 | 54% | 0.542 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -64.7 | -32.3 | 171.8 | -153.2 | 170.2 | 11.8 | 0 | 0 | 110.9 | A443 L451 | A443-Q447 WeakPolarHBondContact O-CA 3.5Å; A443-Q447 WeakPolarHBondContact O-CB 3.14Å; A443-Q447 PolarHBondContact O-N 3.05Å; Q447-L451 HydrophobicContact CG-CD1 4.32Å; Q447-L451 WeakPolarHBondContact O-CB 3.41Å; Q447-L451 WeakPolarHBondContact O-CD1 3.35Å; Q447-L451 WeakPolarHBondContact O-CG 3.3Å; Q447-L451 PolarHBondContact O-N 3.11Å |
| 448 | K | 51.5 | Low | 55.1 | Low | 149 Ų | 149 | 87 Ų | 87 | 65% | 0.648 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -73.9 | -35.1 | 174.4 | -162.5 | 176.1 | -164.8 | 179.3 | 0 | 113.2 | D444 S445 D446 Q452 | D444-K448 WeakPolarHBondContact O-CB 3.32Å; S445-K448 PolarHBondContact O-N 2.88Å; D446-K448 PolarHBondContact O-N 3.41Å; K448-Q452 WeakPolarHBondContact O-CB 3.42Å; K448-Q452 PolarHBondContact O-N 2.97Å |
| 449 | K | 58.5 | Low | 54.8 | Low | 132 Ų | 132 | 88.6 Ų | 88.6 | 57% | 0.574 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -69.1 | -39.8 | 170.4 | -75.5 | 173.6 | -172.2 | 167 | 0 | 112.1 | S445 D446 Q452 G453 | S445-K449 WeakPolarHBondContact O-CG 3.5Å; S445-K449 PolarHBondContact O-N 3.21Å; D446-K449 PolarHBondContact O-N 2.61Å; D446-K449 IonicContact OD1-NZ 3.39Å; K449-Q452 PolarHBondContact O-N 2.84Å; K449-G453 PolarHBondContact O-N 3.18Å |
| 450 | I | 54.3 | Low | 54.8 | Low | 102 Ų | 102 | 92 Ų | 92 | 52% | 0.523 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67 | -47.6 | 175.9 | -68 | 162.6 | 0 | 0 | 0 | 109.5 | D446 Q452 G453 M454 | D446-I450 VanDerWaalsContact O-CB 3.29Å; D446-I450 WeakPolarHBondContact O-CB 3.06Å; D446-I450 WeakPolarHBondContact O-CD1 3.21Å; D446-I450 WeakPolarHBondContact O-CG1 3.29Å; D446-I450 PolarHBondContact O-N 2.98Å; I450-Q452 PolarHBondContact O-N 3.27Å; I450-G453 CarbonylContact O-C 3.56Å; I450-G453 PolarHBondContact O-N 3.36Å; I450-M454 HydrophobicContact CG2-CG 4.34Å; I450-M454 HydrophobicContact CG2-SD 3.87Å; I450-M454 WeakPolarHBondContact O-CB 3.41Å; I450-M454 VanDerWaalsContact O-CG 3.29Å; I450-M454 WeakPolarHBondContact O-CG 3.31Å; I450-M454 PolarHBondContact O-N 3.07Å |
| 451 | L | 53.5 | Low | 54.4 | Low | 98 Ų | 98 | 93.3 Ų | 93.3 | 51% | 0.513 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.4 | -45.5 | 173.7 | -88.2 | 154.8 | 0 | 0 | 0 | 110.7 | Q447 G453 M454 T455 | Q447-L451 HydrophobicContact CG-CD1 4.32Å; Q447-L451 WeakPolarHBondContact O-CB 3.41Å; Q447-L451 WeakPolarHBondContact O-CD1 3.35Å; Q447-L451 WeakPolarHBondContact O-CG 3.3Å; Q447-L451 PolarHBondContact O-N 3.11Å; L451-G453 PolarHBondContact O-N 3.01Å; L451-M454 CarbonylContact O-C 3.45Å; L451-M454 PolarHBondContact O-N 3.4Å; L451-T455 WeakPolarHBondContact O-CB 3.46Å; L451-T455 PolarHBondContact O-N 3.46Å; L451-T455 PolarHBondContact O-OG1 3.4Å |
| 452 | Q | 57.1 | Low | 54.1 | Low | 120 Ų | 120 | 97.2 Ų | 97.2 | 56% | 0.561 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.1 | -44.9 | 176.8 | -169.9 | 170.1 | 8.2 | 0 | 0 | 111.2 | K448 K449 I450 M454 T455 D456 | K448-Q452 WeakPolarHBondContact O-CB 3.42Å; K448-Q452 PolarHBondContact O-N 2.97Å; K449-Q452 PolarHBondContact O-N 2.84Å; I450-Q452 PolarHBondContact O-N 3.27Å; Q452-M454 PolarHBondContact O-N 2.61Å; Q452-T455 PolarHBondContact O-N 3.28Å; Q452-D456 WeakPolarHBondContact O-CB 3.5Å; Q452-D456 PolarHBondContact O-N 3.42Å |
| 453 | G | 48.7 | Very low | 53.8 | Low | 34 Ų | 34 | 99.6 Ų | 99.6 | 35% | 0.351 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60 | -41.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | K449 I450 L451 V457 | K449-G453 PolarHBondContact O-N 3.18Å; I450-G453 CarbonylContact O-C 3.56Å; I450-G453 PolarHBondContact O-N 3.36Å; L451-G453 PolarHBondContact O-N 3.01Å; G453-V457 WeakPolarHBondContact O-CB 3.48Å; G453-V457 WeakPolarHBondContact O-CG2 3.49Å; G453-V457 PolarHBondContact O-N 2.75Å |
| 454 | M | 58.2 | Low | 53.5 | Low | 126 Ų | 126 | 103.4 Ų | 103.4 | 62% | 0.621 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -70.1 | -34.2 | 174.8 | -71 | 176 | 94.9 | 0 | 0 | 111.9 | I450 L451 Q452 A458 | I450-M454 HydrophobicContact CG2-CG 4.34Å; I450-M454 HydrophobicContact CG2-SD 3.87Å; I450-M454 WeakPolarHBondContact O-CB 3.41Å; I450-M454 VanDerWaalsContact O-CG 3.29Å; I450-M454 WeakPolarHBondContact O-CG 3.31Å; I450-M454 PolarHBondContact O-N 3.07Å; L451-M454 CarbonylContact O-C 3.45Å; L451-M454 PolarHBondContact O-N 3.4Å; Q452-M454 PolarHBondContact O-N 2.61Å; M454-A458 WeakPolarHBondContact O-CA 3.26Å; M454-A458 WeakPolarHBondContact O-CB 3.27Å; M454-A458 PolarHBondContact O-N 3.01Å |
| 455 | T | 64.6 | Low | 53 | Low | 70 Ų | 70 | 103.9 Ų | 103.9 | 43% | 0.429 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -71.9 | -38.3 | 177.3 | -43.4 | 0 | 0 | 0 | 0 | 110.4 | L451 Q452 K459 | L451-T455 WeakPolarHBondContact O-CB 3.46Å; L451-T455 PolarHBondContact O-N 3.46Å; L451-T455 PolarHBondContact O-OG1 3.4Å; Q452-T455 PolarHBondContact O-N 3.28Å; T455-K459 WeakPolarHBondContact O-CB 3.26Å; T455-K459 WeakPolarHBondContact O-CG 3.37Å; T455-K459 PolarHBondContact O-N 3.47Å |
| 456 | D | 63.5 | Low | 52.2 | Low | 82 Ų | 82 | 108.8 Ų | 108.8 | 44% | 0.439 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -69.8 | -43.6 | 176.1 | -67.1 | -20.3 | 0 | 0 | 0 | 110.2 | Q452 K459 D460 | Q452-D456 WeakPolarHBondContact O-CB 3.5Å; Q452-D456 PolarHBondContact O-N 3.42Å; D456-K459 PolarHBondContact O-N 2.82Å; D456-D460 WeakPolarHBondContact O-CB 3.27Å; D456-D460 PolarHBondContact O-N 3.4Å |
| 457 | V | 63 | Low | 51.3 | Low | 81 Ų | 81 | 113 Ų | 113 | 49% | 0.491 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -65.7 | -37.7 | 173.4 | 171.7 | 0 | 0 | 0 | 0 | 111.9 | G453 D460 R461 | G453-V457 WeakPolarHBondContact O-CB 3.48Å; G453-V457 WeakPolarHBondContact O-CG2 3.49Å; G453-V457 PolarHBondContact O-N 2.75Å; V457-D460 PolarHBondContact O-N 2.87Å; V457-R461 WeakPolarHBondContact O-CB 3.4Å; V457-R461 WeakPolarHBondContact O-CG 3.5Å; V457-R461 PolarHBondContact O-N 3.44Å |
| 458 | A | 56.5 | Low | 50.2 | Low | 45 Ų | 45 | 113 Ų | 113 | 37% | 0.372 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -70.3 | -36.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | M454 R461 L462 | M454-A458 WeakPolarHBondContact O-CA 3.26Å; M454-A458 WeakPolarHBondContact O-CB 3.27Å; M454-A458 PolarHBondContact O-N 3.01Å; A458-R461 PolarHBondContact O-N 3.34Å; A458-L462 VanDerWaalsContact O-CB 3.29Å; A458-L462 WeakPolarHBondContact O-CB 3.25Å; A458-L462 WeakPolarHBondContact O-CG 3.42Å; A458-L462 PolarHBondContact O-N 2.78Å |
| 459 | K | 52.7 | Low | 49 | Very low | 133 Ų | 133 | 113.9 Ų | 113.9 | 58% | 0.578 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -65.4 | -40.8 | 171.1 | -86.7 | -176.8 | 172.9 | -177.8 | 0 | 111.9 | T455 D456 R461 L462 N463 | T455-K459 WeakPolarHBondContact O-CB 3.26Å; T455-K459 WeakPolarHBondContact O-CG 3.37Å; T455-K459 PolarHBondContact O-N 3.47Å; D456-K459 PolarHBondContact O-N 2.82Å; K459-R461 VanDerWaalsContact C-N 3.35Å; K459-L462 PolarHBondContact O-N 3.36Å; K459-N463 WeakPolarHBondContact O-CB 3.45Å; K459-N463 PolarHBondContact O-N 3.31Å |
| 460 | D | 54.4 | Low | 47.5 | Very low | 110 Ų | 110 | 116.7 Ų | 116.7 | 59% | 0.588 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -65.5 | -38.3 | 175 | -79.7 | -9.6 | 0 | 0 | 0 | 111.3 | D456 V457 V464 | D456-D460 WeakPolarHBondContact O-CB 3.27Å; D456-D460 PolarHBondContact O-N 3.4Å; V457-D460 PolarHBondContact O-N 2.87Å; D460-V464 VanDerWaalsContact O-CG2 3.3Å; D460-V464 WeakPolarHBondContact O-CG2 3.17Å; D460-V464 PolarHBondContact O-N 2.86Å |
| 461 | R | 48.8 | Very low | 46.4 | Very low | 170 Ų | 170 | 117.7 Ų | 117.7 | 64% | 0.642 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -69.7 | -42.4 | 173.9 | -79.4 | -172.5 | 177.9 | -172.7 | -1.9 | 113.2 | V457 A458 K459 N463 V464 E465 | V457-R461 WeakPolarHBondContact O-CB 3.4Å; V457-R461 WeakPolarHBondContact O-CG 3.5Å; V457-R461 PolarHBondContact O-N 3.44Å; A458-R461 PolarHBondContact O-N 3.34Å; K459-R461 VanDerWaalsContact C-N 3.35Å; R461-N463 VanDerWaalsContact C-N 3.26Å; R461-N463 PolarHBondContact O-N 2.83Å; R461-V464 PolarHBondContact O-N 2.94Å; R461-E465 PolarHBondContact O-N 3.23Å |
| 462 | L | 45.2 | Very low | 45 | Very low | 104 Ų | 104 | 122 Ų | 122 | 55% | 0.545 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -65.7 | -29.7 | 177.9 | -75.4 | 167.2 | 0 | 0 | 0 | 112.4 | A458 K459 V464 | A458-L462 VanDerWaalsContact O-CB 3.29Å; A458-L462 WeakPolarHBondContact O-CB 3.25Å; A458-L462 WeakPolarHBondContact O-CG 3.42Å; A458-L462 PolarHBondContact O-N 2.78Å; K459-L462 PolarHBondContact O-N 3.36Å; L462-V464 VanDerWaalsContact C-N 3.29Å |
| 463 | N | 45.7 | Very low | 43.6 | Very low | 129 Ų | 129 | 125.3 Ų | 125.3 | 69% | 0.69 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -74.6 | -17.5 | 172.3 | -78.8 | -13.2 | 0 | 0 | 0 | 113.5 | K459 R461 | K459-N463 WeakPolarHBondContact O-CB 3.45Å; K459-N463 PolarHBondContact O-N 3.31Å; R461-N463 VanDerWaalsContact C-N 3.26Å; R461-N463 PolarHBondContact O-N 2.83Å |
| 464 | V | 46.3 | Very low | 42.8 | Very low | 123 Ų | 123 | 129.5 Ų | 129.5 | 75% | 0.745 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -93.3 | -28.1 | 177.3 | 174.2 | 0 | 0 | 0 | 0 | 111.6 | D460 R461 L462 | D460-V464 VanDerWaalsContact O-CG2 3.3Å; D460-V464 WeakPolarHBondContact O-CG2 3.17Å; D460-V464 PolarHBondContact O-N 2.86Å; R461-V464 PolarHBondContact O-N 2.94Å; L462-V464 VanDerWaalsContact C-N 3.29Å |
| 465 | E | 38.3 | Very low | 41.4 | Very low | 136 Ų | 136 | 131.5 Ų | 131.5 | 64% | 0.636 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -92.2 | -2.7 | -175.3 | -71.7 | 179.6 | -179.7 | 0 | 0 | 114.9 | R461 N467 | R461-E465 PolarHBondContact O-N 3.23Å; E465-N467 VanDerWaalsContact C-N 3.34Å; E465-N467 PolarHBondContact O-N 2.96Å |
| 466 | Q | 31 | Very low | 39.8 | Very low | 150 Ų | 150 | 140.2 Ų | 140.2 | 70% | 0.701 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -90.5 | 67.7 | 170.4 | -71.1 | -172.5 | -5.7 | 0 | 0 | 111.4 | ||
| 467 | N | 32.5 | Very low | 38.4 | Very low | 164 Ų | 164 | 140.6 Ų | 140.6 | 88% | 0.877 | 74% | 0.735 | S | S | * | * | trans | -168.6 | 78.3 | 146.4 | -93.3 | -18 | 0 | 0 | 0 | 111 | E465 | E465-N467 VanDerWaalsContact C-N 3.34Å; E465-N467 PolarHBondContact O-N 2.96Å | ||
| 468 | P | 29.8 | Very low | 36.9 | Very low | 114 Ų | 114 | 142.9 Ų | 142.9 | 74% | 0.74 | 75% | 0.754 | S | S | * | * | trans | -117 | 82.4 | 165.9 | 33.4 | -15.7 | 0 | 0 | 0 | 109.3 | ||||
| 469 | L | 25.8 | Very low | 35.9 | Very low | 168 Ų | 168 | 148.3 Ų | 148.3 | 88% | 0.88 | 77% | 0.77 | S | S | * | * | trans | -136.3 | 87.3 | 164.6 | -90.9 | 163.2 | 0 | 0 | 0 | 106 | ||||
| 470 | E | 27.6 | Very low | 35.3 | Very low | 192 Ų | 192 | 151.5 Ų | 151.5 | 90% | 0.897 | 78% | 0.778 | S | S | * | * | S | Bend | trans | 159.6 | 92.7 | 152.2 | -91.2 | 169.7 | -164.6 | 0 | 0 | 108.8 | ||
| 471 | S | 30.3 | Very low | 34.9 | Very low | 122 Ų | 122 | 155 Ų | 155 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | trans | 166.3 | 62.3 | 144.4 | 63.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 472 | Q | 24.4 | Very low | 34.7 | Very low | 189 Ų | 189 | 151.2 Ų | 151.2 | 88% | 0.883 | 78% | 0.776 | S | S | * | * | trans | -117.8 | 98.8 | 155.3 | -85.7 | -162.8 | -7.5 | 0 | 0 | 106.1 | ||||
| 473 | E | 28.1 | Very low | 34.9 | Very low | 190 Ų | 190 | 152.7 Ų | 152.7 | 89% | 0.888 | 78% | 0.78 | S | S | * | * | trans | 174.2 | 99.5 | 150.3 | -101.6 | 169.3 | -166.9 | 0 | 0 | 109.4 | ||||
| 474 | S | 32.7 | Very low | 34.9 | Very low | 121 Ų | 121 | 149.5 Ų | 149.5 | 85% | 0.846 | 77% | 0.772 | S | S | * | * | trans | 170.7 | 77.8 | 132.3 | 54 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 475 | L | 28.2 | Very low | 34.7 | Very low | 169 Ų | 169 | 149.6 Ų | 149.6 | 89% | 0.885 | 77% | 0.767 | S | S | * | * | trans | -89.9 | 116.9 | 154.4 | -76.7 | 162.7 | 0 | 0 | 0 | 107.4 | ||||
| 476 | R | 31.2 | Very low | 34.9 | Very low | 252 Ų | 252 | 151.6 Ų | 151.6 | 95% | 0.951 | 78% | 0.776 | S | S | * | * | trans | -178.4 | 126.6 | 148.4 | -101.1 | 162.4 | -159.8 | -165.8 | 7.6 | 114 | ||||
| 477 | A | 34.5 | Very low | 36 | Very low | 90 Ų | 90 | 152 Ų | 152 | 74% | 0.744 | 78% | 0.776 | S | S | * | * | trans | 73 | 95.3 | 145.5 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 478 | S | 29.9 | Very low | 37 | Very low | 129 Ų | 129 | 148.8 Ų | 148.8 | 90% | 0.902 | 76% | 0.764 | S | S | * | * | trans | 26.2 | 93.7 | 138.1 | -54.6 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 479 | K | 36.5 | Very low | 37.9 | Very low | 159 Ų | 159 | 150 Ų | 150 | 69% | 0.691 | 77% | 0.773 | S | S | * | * | trans | -115.2 | 161.9 | 150.5 | -75.5 | -177.7 | 174.4 | -175.3 | 0 | 110 | E483 | K479-E483 HydrophobicContact CB-CB 4.24Š| ||
| 480 | R | 39.2 | Very low | 39.8 | Very low | 200 Ų | 200 | 146.4 Ų | 146.4 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | trans | -51.7 | 143.3 | 178 | -117.1 | 179.5 | 168.1 | -173 | -5.4 | 110.2 | D482 E483 A484 | R480-D482 PolarHBondContact O-N 3.18Å; R480-D482 VanDerWaalsContact O-N 3.07Å; R480-E483 WeakPolarHBondContact O-CA 3.02Å; R480-E483 PolarHBondContact O-N 3.08Å; R480-A484 PolarHBondContact O-N 2.98Å | ||
| 481 | W | 47 | Very low | 41.9 | Very low | 185 Ų | 185 | 142.6 Ų | 142.6 | 70% | 0.701 | 74% | 0.74 | S | S | * | * | H | α-helix | trans | -54.8 | -32 | -170 | 64.9 | -87.6 | 0 | 0 | 0 | 114.6 | E483 A484 L485 | W481-E483 VanDerWaalsContact C-N 3.34Å; W481-E483 PolarHBondContact O-N 3.1Å; W481-A484 PolarHBondContact O-N 2.76Å; W481-L485 PolarHBondContact O-N 3.01Å |
| 482 | D | 45 | Very low | 44.1 | Very low | 90 Ų | 90 | 138.1 Ų | 138.1 | 48% | 0.481 | 70% | 0.704 | S | S | . | * | H | α-helix | trans | -64.8 | -34.7 | 174.6 | -57.6 | -59.4 | 0 | 0 | 0 | 113.2 | R480 | R480-D482 PolarHBondContact O-N 3.18Å; R480-D482 VanDerWaalsContact O-N 3.07Å |
| 483 | E | 48.5 | Very low | 46.4 | Very low | 134 Ų | 134 | 132.8 Ų | 132.8 | 63% | 0.626 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -87.4 | -18.4 | 176.6 | -68 | -179.1 | 175.8 | 0 | 0 | 112.3 | K479 R480 W481 | K479-E483 HydrophobicContact CB-CB 4.24Å; R480-E483 WeakPolarHBondContact O-CA 3.02Å; R480-E483 PolarHBondContact O-N 3.08Å; W481-E483 VanDerWaalsContact C-N 3.34Å; W481-E483 PolarHBondContact O-N 3.1Å |
| 484 | A | 45.2 | Very low | 48.5 | Very low | 63 Ų | 63 | 132.2 Ų | 132.2 | 52% | 0.521 | 69% | 0.686 | S | S | . | * | H | α-helix | trans | -82.4 | -15.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | R480 W481 E486 | R480-A484 PolarHBondContact O-N 2.98Å; W481-A484 PolarHBondContact O-N 2.76Å; A484-E486 PolarHBondContact O-N 3.04Å |
| 485 | L | 42.2 | Very low | 50.7 | Low | 125 Ų | 125 | 128.4 Ų | 128.4 | 65% | 0.654 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -69 | 83.5 | 163 | -71.9 | 166.3 | 0 | 0 | 0 | 107.5 | W481 K487 | W481-L485 PolarHBondContact O-N 3.01Å; L485-K487 VanDerWaalsContact C-N 3.32Å; L485-K487 PolarHBondContact O-N 3.1Å |
| 486 | E | 44.1 | Very low | 53.4 | Low | 177 Ų | 177 | 120.6 Ų | 120.6 | 83% | 0.827 | 61% | 0.614 | S | S | * | * | trans | -53.2 | 106.6 | 159.2 | -81 | -175.8 | 170.3 | 0 | 0 | 106.1 | A484 P488 | A484-E486 PolarHBondContact O-N 3.04Å; E486-P488 WeakPolarHBondContact O-CD 3.13Å; E486-P488 VanDerWaalsContact O-N 3.11Å | ||
| 487 | K | 53.6 | Low | 55.8 | Low | 159 Ų | 159 | 114.1 Ų | 114.1 | 69% | 0.691 | 60% | 0.595 | S | S | * | * | trans | -53.4 | 124.3 | 166.3 | -74.1 | -177.6 | -179.2 | 178.4 | 0 | 104.6 | L485 C489 | L485-K487 VanDerWaalsContact C-N 3.32Å; L485-K487 PolarHBondContact O-N 3.1Å; K487-C489 PolarHBondContact O-N 2.91Å; K487-C489 VanDerWaalsContact O-N 3.16Å | ||
| 488 | P | 52.2 | Low | 57.7 | Low | 97 Ų | 97 | 114.6 Ų | 114.6 | 63% | 0.63 | 59% | 0.591 | S | S | * | * | trans | -50.6 | 132.2 | 174.1 | 18.2 | -28.7 | 0 | 0 | 0 | 107.5 | E486 I490 | E486-P488 WeakPolarHBondContact O-CD 3.13Å; E486-P488 VanDerWaalsContact O-N 3.11Å; P488-I490 HydrophobicContact CB-CG1 4.13Å; P488-I490 HydrophobicContact CG-CD1 4.12Å; P488-I490 HydrophobicContact CG-CG1 4.05Å; P488-I490 PolarHBondContact O-N 3.44Å | ||
| 489 | C | 50.4 | Low | 60.1 | Low | 138 Ų | 138 | 113.7 Ų | 113.7 | 93% | 0.932 | 58% | 0.575 | S | S | * | * | trans | -65.8 | 77.7 | 169.4 | -73.6 | 0 | 0 | 0 | 0 | 107.3 | K487 D491 | K487-C489 PolarHBondContact O-N 2.91Å; K487-C489 VanDerWaalsContact O-N 3.16Å; C489-D491 PolarHBondContact O-N 2.93Å | ||
| 490 | I | 64.4 | Low | 62.4 | Low | 94 Ų | 94 | 106.4 Ų | 106.4 | 48% | 0.482 | 54% | 0.544 | S | S | . | . | trans | -69.7 | 115.7 | 173.2 | -64.2 | 170.4 | 0 | 0 | 0 | 104.9 | P488 Y492 | P488-I490 HydrophobicContact CB-CG1 4.13Å; P488-I490 HydrophobicContact CG-CD1 4.12Å; P488-I490 HydrophobicContact CG-CG1 4.05Å; P488-I490 PolarHBondContact O-N 3.44Å; I490-Y492 HydrophobicContact CB-CE1 4.29Å; I490-Y492 HydrophobicContact CB-CE2 4.12Å; I490-Y492 HydrophobicContact CG2-CD1 4.14Å; I490-Y492 HydrophobicContact CG2-CE1 3.71Å; I490-Y492 HydrophobicContact CG2-CE2 4.35Å; I490-Y492 WeakPolarHBondContact O-CD2 3.25Å; I490-Y492 WeakPolarHBondContact O-CE2 3.45Å; I490-Y492 PolarHBondContact O-N 3.46Å; I490-Y492 VanDerWaalsContact O-N 3.13Å | ||
| 491 | D | 72.3 | Confident | 64.6 | Low | 111 Ų | 111 | 97.1 Ų | 97.1 | 59% | 0.594 | 51% | 0.51 | S | S | * | . | trans | -70.2 | 106.9 | 176.1 | -173.8 | 7.3 | 0 | 0 | 0 | 109.1 | C489 S493 | C489-D491 PolarHBondContact O-N 2.93Å; D491-S493 VanDerWaalsContact C-N 3.32Å; D491-S493 WeakPolarHBondContact OD1-CB 3.42Å; D491-S493 PolarHBondContact OD1-N 3.24Å; D491-S493 PolarHBondContact OD1-OG 3.43Å | ||
| 492 | Y | 77.2 | Confident | 66.3 | Low | 28 Ų | 28 | 93.4 Ų | 93.4 | 11% | 0.11 | 50% | 0.501 | C | S | . | . | trans | -89.5 | 2 | 176.3 | -61.2 | -71.9 | 0 | 0 | 0 | 112.5 | I490 E494 L495 F496 N572 N575 F576 | I490-Y492 HydrophobicContact CB-CE1 4.29Å; I490-Y492 HydrophobicContact CB-CE2 4.12Å; I490-Y492 HydrophobicContact CG2-CD1 4.14Å; I490-Y492 HydrophobicContact CG2-CE1 3.71Å; I490-Y492 HydrophobicContact CG2-CE2 4.35Å; I490-Y492 WeakPolarHBondContact O-CD2 3.25Å; I490-Y492 WeakPolarHBondContact O-CE2 3.45Å; I490-Y492 PolarHBondContact O-N 3.46Å; I490-Y492 VanDerWaalsContact O-N 3.13Å; Y492-E494 PolarHBondContact O-N 3.07Å; Y492-E494 VanDerWaalsContact O-N 3.13Å; Y492-L495 HydrophobicContact CD1-CD1 4.3Å; Y492-L495 PolarHBondContact O-N 2.82Å; Y492-F496 PolarHBondContact O-N 3.13Å; Y492-N572 HydrophobicContact CD1-CB 3.88Å; Y492-N572 HydrophobicContact CE1-CB 3.66Å; Y492-N575 HydrophobicContact CE2-CB 3.81Å; Y492-N575 WeakPolarHBondContact OH-CB 3.43Å; Y492-N575 PolarHBondContact OH-ND2 3.37Å; Y492-F576 HydrophobicContact CD2-CB 3.93Å; Y492-F576 HydrophobicContact CD2-CD2 4.37Å; Y492-F576 HydrophobicContact CG-CB 4.02Å; Y492-F576 HydrophobicContact CG-CD2 4.39Å | ||
| 493 | S | 71.3 | Confident | 68.2 | Low | 77 Ų | 77 | 95.7 Ų | 95.7 | 54% | 0.538 | 51% | 0.512 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -20.6 | -176.5 | -48.3 | 0 | 0 | 0 | 0 | 113.3 | D491 | D491-S493 VanDerWaalsContact C-N 3.32Å; D491-S493 WeakPolarHBondContact OD1-CB 3.42Å; D491-S493 PolarHBondContact OD1-N 3.24Å; D491-S493 PolarHBondContact OD1-OG 3.43Å |
| 494 | E | 73.3 | Confident | 70 | Confident | 179 Ų | 179 | 93 Ų | 93 | 84% | 0.836 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -17.8 | 173 | -66.8 | -164.7 | 164.6 | 0 | 0 | 113.6 | Y492 | Y492-E494 PolarHBondContact O-N 3.07Å; Y492-E494 VanDerWaalsContact O-N 3.13Å |
| 495 | L | 79.1 | Confident | 72.1 | Confident | 41 Ų | 41 | 91.3 Ų | 91.3 | 22% | 0.215 | 50% | 0.495 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | -36.9 | -176.1 | -64.3 | 176.7 | 0 | 0 | 0 | 112.5 | Y492 L515 N572 | Y492-L495 HydrophobicContact CD1-CD1 4.3Å; Y492-L495 PolarHBondContact O-N 2.82Å; L495-L515 HydrophobicContact CD2-CD2 3.53Å; L495-N572 HydrophobicContact CD1-CB 4.35Å |
| 496 | F | 84.3 | Confident | 74.5 | Confident | 4 Ų | 4 | 87 Ų | 87 | 2% | 0.018 | 47% | 0.472 | C | S | . | . | S | Bend | trans | -133.1 | 137.1 | -176.9 | -54.9 | -68.4 | 0 | 0 | 0 | 110.5 | Y492 V500 F509 P516 H569 N572 L573 F576 | Y492-F496 PolarHBondContact O-N 3.13Å; F496-V500 HydrophobicContact CB-CG2 4.46Å; F496-F509 AromaticContact CD1-CE1 3.99Å; F496-F509 HydrophobicContact CD1-CE1 3.99Å; F496-F509 HydrophobicContact CD1-CZ 4.2Å; F496-F509 HydrophobicContact CE1-CE1 4.29Å; F496-F509 HydrophobicContact CE1-CZ 4.46Å; F496-P516 HydrophobicContact CD1-CG 4.42Å; F496-P516 HydrophobicContact CE1-CB 4.13Å; F496-P516 HydrophobicContact CE1-CG 3.71Å; F496-P516 HydrophobicContact CZ-CG 4.02Å; F496-H569 HydrophobicContact CZ-CB 4.48Å; F496-N572 HydrophobicContact CE2-CB 3.97Å; F496-L573 HydrophobicContact CD1-CD1 3.82Å; F496-L573 HydrophobicContact CD2-CD1 4.19Å; F496-L573 HydrophobicContact CE1-CB 4.1Å; F496-L573 HydrophobicContact CE1-CD1 3.87Å; F496-L573 HydrophobicContact CE1-CG 4.39Å; F496-L573 HydrophobicContact CE2-CB 3.88Å; F496-L573 HydrophobicContact CE2-CD1 4.25Å; F496-L573 HydrophobicContact CG-CD1 3.99Å; F496-L573 HydrophobicContact CZ-CB 3.59Å; F496-L573 HydrophobicContact CZ-CD1 4.1Å; F496-L573 HydrophobicContact CZ-CG 4.35Å; F496-F576 HydrophobicContact CB-CD1 3.89Å; F496-F576 HydrophobicContact CB-CE1 3.75Å; F496-F576 HydrophobicContact CB-CG 4.41Å; F496-F576 HydrophobicContact CB-CZ 4.13Å; F496-F576 HydrophobicContact CD2-CB 4.22Å; F496-F576 HydrophobicContact CD2-CD1 4.24Å; F496-F576 HydrophobicContact CD2-CG 4.23Å; F496-F576 HydrophobicContact CG-CD1 4.31Å |
| 497 | E | 81.6 | Confident | 76.8 | Confident | 117 Ų | 117 | 80.2 Ų | 80.2 | 55% | 0.547 | 44% | 0.444 | S | S | . | . | trans | -69.1 | 148.3 | 173.3 | -63.4 | -67.2 | 161.3 | 0 | 0 | 110.4 | D499 V500 | E497-D499 WeakPolarHBondContact CB-OD1 3.31Å; E497-D499 PolarHBondContact O-N 2.87Å; E497-D499 VanDerWaalsContact O-N 3.11Å; E497-V500 HydrophobicContact CB-CG2 4.19Å; E497-V500 WeakPolarHBondContact O-CB 3.36Å; E497-V500 WeakPolarHBondContact O-CG2 3.37Å; E497-V500 PolarHBondContact O-N 3.48Å; E497-V500 VanDerWaalsContact O-N 3.11Å | ||
| 498 | P | 74.3 | Confident | 78.7 | Confident | 100 Ų | 100 | 72.7 Ų | 72.7 | 65% | 0.649 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -15.4 | -174.6 | 22.7 | -32 | 0 | 0 | 0 | 115.2 | ||
| 499 | D | 79.3 | Confident | 80.6 | Confident | 109 Ų | 109 | 68.2 Ų | 68.2 | 58% | 0.583 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -10.7 | 177.8 | 62.9 | -20.8 | 0 | 0 | 0 | 113.8 | E497 G501 Q502 | E497-D499 WeakPolarHBondContact CB-OD1 3.31Å; E497-D499 PolarHBondContact O-N 2.87Å; E497-D499 VanDerWaalsContact O-N 3.11Å; D499-G501 PolarHBondContact O-N 3.39Å; D499-Q502 WeakPolarHBondContact O-CB 3.42Å; D499-Q502 PolarHBondContact O-N 3.14Å; D499-Q502 VanDerWaalsContact O-N 3.17Å |
| 500 | V | 85.9 | Confident | 82.6 | Confident | 7 Ų | 7 | 62.2 Ų | 62.2 | 4% | 0.042 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | 126.5 | 177.7 | 172.4 | 0 | 0 | 0 | 0 | 109.9 | F496 E497 Q502 F509 I518 L536 L573 F576 L577 | F496-V500 HydrophobicContact CB-CG2 4.46Å; E497-V500 HydrophobicContact CB-CG2 4.19Å; E497-V500 WeakPolarHBondContact O-CB 3.36Å; E497-V500 WeakPolarHBondContact O-CG2 3.37Å; E497-V500 PolarHBondContact O-N 3.48Å; E497-V500 VanDerWaalsContact O-N 3.11Å; V500-Q502 VanDerWaalsContact C-N 3.28Å; V500-Q502 PolarHBondContact O-N 3.22Å; V500-F509 HydrophobicContact CG1-CE2 4.48Å; V500-F509 HydrophobicContact CG1-CZ 3.73Å; V500-F509 HydrophobicContact CG2-CE1 4.46Å; V500-F509 HydrophobicContact CG2-CZ 4.19Å; V500-I518 HydrophobicContact CG2-CD1 4.49Å; V500-L536 HydrophobicContact CG1-CD2 3.79Å; V500-L573 HydrophobicContact CG1-CD1 3.8Å; V500-F576 HydrophobicContact CB-CE1 4.3Å; V500-L577 WeakPolarHBondContact O-CD2 3.49Å |
| 501 | G | 84.7 | Confident | 83.8 | Confident | 4 Ų | 4 | 57.8 Ų | 57.8 | 4% | 0.041 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.7 | 4.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | D499 T538 W548 | D499-G501 PolarHBondContact O-N 3.39Å; G501-T538 WeakPolarHBondContact O-CG2 3.44Å; G501-W548 PolarHBondContact O-NE1 2.57Å |
| 502 | Q | 84.1 | Confident | 84.4 | Confident | 107 Ų | 107 | 55.8 Ų | 55.8 | 50% | 0.5 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -84.8 | -18.8 | 178.5 | -61.5 | -62 | -28.9 | 0 | 0 | 113.6 | D499 V500 L546 | D499-Q502 WeakPolarHBondContact O-CB 3.42Å; D499-Q502 PolarHBondContact O-N 3.14Å; D499-Q502 VanDerWaalsContact O-N 3.17Å; V500-Q502 VanDerWaalsContact C-N 3.28Å; V500-Q502 PolarHBondContact O-N 3.22Å; Q502-L546 WeakPolarHBondContact O-CD1 3.43Å |
| 503 | L | 84.6 | Confident | 84.5 | Confident | 138 Ų | 138 | 57.9 Ų | 57.9 | 72% | 0.723 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -113.9 | 137.8 | 179.6 | -67.6 | 172 | 0 | 0 | 0 | 110.2 | G505 T538 | L503-G505 PolarHBondContact O-N 2.95Å; L503-T538 WeakPolarHBondContact O-CB 3.39Å |
| 504 | P | 86.6 | Confident | 85 | Confident | 78 Ų | 78 | 57.7 Ų | 57.7 | 51% | 0.506 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -58.4 | 129.9 | 172.2 | -21.4 | 32.2 | 0 | 0 | 0 | 110.7 | T538 L540 L546 | P504-T538 WeakPolarHBondContact CA-O 2.87Å; P504-L540 HydrophobicContact CG-CB 4.18Å; P504-L540 HydrophobicContact CG-CD1 4.41Å; P504-L546 HydrophobicContact CG-CD2 4.17Å |
| 505 | G | 89.1 | Confident | 85.6 | Confident | 27 Ų | 27 | 53.3 Ų | 53.3 | 28% | 0.278 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 159.1 | 179.5 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | L503 T538 | L503-G505 PolarHBondContact O-N 2.95Å; G505-T538 PolarHBondContact N-O 3.2Å; G505-T538 PolarHBondContact O-N 3.48Å |
| 506 | L | 91.5 | Very high | 86 | Confident | 34 Ų | 34 | 51.8 Ų | 51.8 | 18% | 0.178 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 123.9 | 175.2 | -172.9 | 74.1 | 0 | 0 | 0 | 109 | I508 H524 V535 L536 K537 L598 F599 | L506-I508 HydrophobicContact CD2-CD1 4.29Å; L506-I508 HydrophobicContact CG-CG1 4.4Å; L506-H524 PolarHBondContact O-CE1 3.24Å; L506-H524 VanDerWaalsContact O-CE1 3.29Å; L506-V535 HydrophobicContact CD1-CG1 3.54Å; L506-V535 HydrophobicContact CG-CG1 4.35Å; L506-L536 CarbonylContact C-O 3.49Å; L506-L536 WeakPolarHBondContact CA-O 3.17Å; L506-K537 HydrophobicContact CB-CD 4.42Å; L506-K537 HydrophobicContact CD1-CB 4.09Å; L506-K537 HydrophobicContact CD1-CD 4.07Å; L506-L598 HydrophobicContact CD1-CB 4.41Å; L506-F599 HydrophobicContact CD2-CD1 4.18Å; L506-F599 HydrophobicContact CD2-CE1 3.88Å |
| 507 | T | 92.4 | Very high | 86.1 | Confident | 36 Ų | 36 | 54.7 Ų | 54.7 | 22% | 0.221 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 126.4 | 176.5 | -52.1 | 0 | 0 | 0 | 0 | 109.1 | F509 I518 L536 | T507-F509 HydrophobicContact CG2-CE1 4.47Å; T507-F509 HydrophobicContact CG2-CE2 3.83Å; T507-F509 HydrophobicContact CG2-CZ 3.76Å; T507-I518 HydrophobicContact CG2-CG2 4.42Å; T507-L536 PolarHBondContact N-O 3.12Å; T507-L536 PolarHBondContact O-N 2.88Å |
| 508 | I | 93.5 | Very high | 86.4 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 137.7 | 179.9 | -55.6 | -178.9 | 0 | 0 | 0 | 109.2 | L506 L519 H524 F527 Y533 I534 V535 F599 | L506-I508 HydrophobicContact CD2-CD1 4.29Å; L506-I508 HydrophobicContact CG-CG1 4.4Å; I508-L519 HydrophobicContact CB-CB 4.15Å; I508-L519 HydrophobicContact CB-CD2 4.21Å; I508-L519 HydrophobicContact CG2-CB 4.19Å; I508-L519 HydrophobicContact CG2-CD2 3.79Å; I508-L519 WeakPolarHBondContact O-CB 3.36Å; I508-L519 PolarHBondContact O-N 2.88Å; I508-H524 HydrophobicContact CD1-CB 3.95Å; I508-F527 HydrophobicContact CD1-CZ 4.44Å; I508-F527 HydrophobicContact CG2-CE1 4.26Å; I508-Y533 HydrophobicContact CG2-CD1 4.12Å; I508-I534 CarbonylContact C-O 3.34Å; I508-I534 WeakPolarHBondContact CA-O 3.39Å; I508-V535 HydrophobicContact CD1-CG2 4.4Å; I508-V535 HydrophobicContact CG1-CG1 4.19Å; I508-V535 HydrophobicContact CG1-CG2 4.14Å; I508-V535 HydrophobicContact CG2-CG2 4.19Å; I508-F599 HydrophobicContact CD1-CE1 3.7Å; I508-F599 HydrophobicContact CD1-CZ 4.19Å |
| 509 | F | 93.3 | Very high | 87.1 | Confident | 3 Ų | 3 | 49.3 Ų | 49.3 | 1% | 0.013 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 135.2 | 174 | -53.5 | -97.7 | 0 | 0 | 0 | 109.7 | F496 V500 T507 P516 N517 I518 Y533 I534 L536 L573 | F496-F509 AromaticContact CD1-CE1 3.99Å; F496-F509 HydrophobicContact CD1-CE1 3.99Å; F496-F509 HydrophobicContact CD1-CZ 4.2Å; F496-F509 HydrophobicContact CE1-CE1 4.29Å; F496-F509 HydrophobicContact CE1-CZ 4.46Å; V500-F509 HydrophobicContact CG1-CE2 4.48Å; V500-F509 HydrophobicContact CG1-CZ 3.73Å; V500-F509 HydrophobicContact CG2-CE1 4.46Å; V500-F509 HydrophobicContact CG2-CZ 4.19Å; T507-F509 HydrophobicContact CG2-CE1 4.47Å; T507-F509 HydrophobicContact CG2-CE2 3.83Å; T507-F509 HydrophobicContact CG2-CZ 3.76Å; F509-P516 HydrophobicContact CB-CB 4.02Å; F509-P516 HydrophobicContact CD1-CB 4.2Å; F509-P516 HydrophobicContact CG-CB 4.35Å; F509-N517 CarbonylContact C-O 3.56Å; F509-N517 WeakPolarHBondContact CA-O 3.49Å; F509-I518 HydrophobicContact CD1-CG1 3.78Å; F509-I518 HydrophobicContact CE1-CD1 4.27Å; F509-I518 HydrophobicContact CE1-CG1 3.45Å; F509-I518 VanDerWaalsContact CE1-CG1 3.45Å; F509-I518 HydrophobicContact CZ-CG1 4.32Å; F509-Y533 CarbonylContact O-C 3.37Å; F509-Y533 WeakPolarHBondContact O-CA 3.38Å; F509-Y533 WeakPolarHBondContact O-CB 3.36Å; F509-I534 HydrophobicContact CB-CB 4.18Å; F509-I534 HydrophobicContact CD2-CB 4.21Å; F509-I534 HydrophobicContact CD2-CG2 4.32Å; F509-I534 PolarHBondContact N-O 3.22Å; F509-I534 PolarHBondContact O-N 3.28Å; F509-L536 HydrophobicContact CE2-CB 4.39Å; F509-L573 HydrophobicContact CD2-CD2 4.46Å; F509-L573 HydrophobicContact CE2-CD2 3.96Å |
| 510 | E | 91.7 | Very high | 87.3 | Confident | 12 Ų | 12 | 49 Ų | 49 | 6% | 0.056 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 142.8 | 168.2 | 69 | -174.3 | 155.3 | 0 | 0 | 110.7 | E512 N517 Y533 R610 T611 | E510-E512 PolarHBondContact O-N 3.36Å; E510-N517 HydrophobicContact CG-CB 4.3Å; E510-N517 PolarHBondContact N-O 3.11Å; E510-N517 PolarHBondContact O-N 2.93Å; E510-Y533 HydrophobicContact CB-CD1 3.64Å; E510-Y533 HydrophobicContact CB-CE1 3.46Å; E510-Y533 VanDerWaalsContact CB-CE1 3.46Å; E510-R610 IonicContact OE1-CZ 3.79Å; E510-R610 IonicContact OE1-NH1 3.19Å; E510-R610 PolarHBondContact OE1-NH1 3.4Å; E510-R610 IonicContact OE1-NH2 3.32Å; E510-R610 IonicContact OE2-CZ 3.2Å; E510-R610 IonicContact OE2-NH1 2.81Å; E510-R610 PolarHBondContact OE2-NH1 2.93Å; E510-T611 HydrophobicContact CB-CG2 4.42Å; E510-T611 HydrophobicContact CG-CG2 4.03Å |
| 511 | I | 90.1 | Very high | 87 | Confident | 2 Ų | 2 | 52.7 Ų | 52.7 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 113 | 178.1 | -58.7 | -56.1 | 0 | 0 | 0 | 110.1 | L515 P516 C532 I534 K562 C565 A566 T611 | I511-L515 WeakPolarHBondContact CA-O 3.48Å; I511-P516 HydrophobicContact CD1-CB 4.28Å; I511-C532 HydrophobicContact CG1-CB 4.33Å; I511-C532 WeakPolarHBondContact CG1-O 3.29Å; I511-C532 PolarHBondContact N-O 3.06Å; I511-C532 VanDerWaalsContact N-O 3.08Å; I511-I534 HydrophobicContact CD1-CD1 3.98Å; I511-I534 HydrophobicContact CD1-CG1 4.44Å; I511-K562 HydrophobicContact CG2-CG 4.35Å; I511-C565 HydrophobicContact CG2-CB 3.75Å; I511-A566 HydrophobicContact CG1-CB 4.01Å; I511-T611 WeakPolarHBondContact O-CB 3.43Å; I511-T611 PolarHBondContact O-OG1 2.86Å |
| 512 | E | 84.2 | Confident | 86.8 | Confident | 68 Ų | 68 | 55.6 Ų | 55.6 | 32% | 0.318 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 125 | 177.1 | -172.6 | -174.4 | 171.1 | 0 | 0 | 110.5 | E510 F514 L515 N517 T611 | E510-E512 PolarHBondContact O-N 3.36Å; E512-F514 PolarHBondContact O-N 2.61Å; E512-F514 VanDerWaalsContact O-N 3.14Å; E512-L515 PolarHBondContact N-O 3.26Å; E512-L515 PolarHBondContact O-N 3.28Å; E512-N517 PolarHBondContact OE2-ND2 3.35Å; E512-T611 HydrophobicContact CB-CG2 4.07Å; E512-T611 HydrophobicContact CG-CG2 4.37Å |
| 513 | N | 79.9 | Confident | 86.8 | Confident | 73 Ų | 73 | 52.5 Ų | 52.5 | 39% | 0.39 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | 42.2 | 176.3 | -62.4 | -43.8 | 0 | 0 | 0 | 114.5 | L515 S612 S613 | N513-L515 VanDerWaalsContact C-N 3.32Å; N513-L515 PolarHBondContact O-N 2.61Å; N513-S612 PolarHBondContact N-O 2.96Å; N513-S612 VanDerWaalsContact N-O 3.14Å; N513-S612 PolarHBondContact ND2-OG 3.41Å; N513-S612 PolarHBondContact OD1-O 2.77Å; N513-S612 PolarHBondContact OD1-OG 3.47Å; N513-S613 PolarHBondContact OD1-O 3.12Å |
| 514 | F | 81.5 | Confident | 87 | Confident | 73 Ų | 73 | 48.5 Ų | 48.5 | 32% | 0.32 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.7 | 3.8 | -175 | -45.9 | -64.5 | 0 | 0 | 0 | 116.6 | E512 D561 H569 G614 F615 | E512-F514 PolarHBondContact O-N 2.61Å; E512-F514 VanDerWaalsContact O-N 3.14Å; F514-D561 HydrophobicContact CE1-CB 4.09Å; F514-H569 PolarHBondContact O-NE2 3.48Å; F514-G614 VanDerWaalsContact CE2-O 3.23Å; F514-G614 WeakPolarHBondContact CE2-O 3.47Å; F514-G614 VanDerWaalsContact CZ-CA 3.47Å; F514-F615 HydrophobicContact CE1-CD2 4.06Å; F514-F615 AromaticContact CE1-CE2 3.93Å; F514-F615 HydrophobicContact CE1-CE2 3.93Å; F514-F615 HydrophobicContact CE1-CZ 4.29Å; F514-F615 HydrophobicContact CZ-CD1 4.11Å; F514-F615 HydrophobicContact CZ-CD2 4.02Å; F514-F615 HydrophobicContact CZ-CE1 4.13Å; F514-F615 HydrophobicContact CZ-CE2 4.05Å; F514-F615 HydrophobicContact CZ-CG 4.05Å; F514-F615 HydrophobicContact CZ-CZ 4.09Å |
| 515 | L | 85 | Confident | 86.9 | Confident | 86 Ų | 86 | 45.1 Ų | 45.1 | 45% | 0.45 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 149.2 | -179.1 | -65.9 | 172.8 | 0 | 0 | 0 | 111.8 | L495 I511 E512 N513 | L495-L515 HydrophobicContact CD2-CD2 3.53Å; I511-L515 WeakPolarHBondContact CA-O 3.48Å; E512-L515 PolarHBondContact N-O 3.26Å; E512-L515 PolarHBondContact O-N 3.28Å; N513-L515 VanDerWaalsContact C-N 3.32Å; N513-L515 PolarHBondContact O-N 2.61Å |
| 516 | P | 87.6 | Confident | 86.9 | Confident | 9 Ų | 9 | 47.8 Ų | 47.8 | 6% | 0.058 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 124.1 | 171.8 | 31.9 | -29.5 | 0 | 0 | 0 | 110.5 | F496 F509 I511 I534 H569 | F496-P516 HydrophobicContact CD1-CG 4.42Å; F496-P516 HydrophobicContact CE1-CB 4.13Å; F496-P516 HydrophobicContact CE1-CG 3.71Å; F496-P516 HydrophobicContact CZ-CG 4.02Å; F509-P516 HydrophobicContact CB-CB 4.02Å; F509-P516 HydrophobicContact CD1-CB 4.2Å; F509-P516 HydrophobicContact CG-CB 4.35Å; I511-P516 HydrophobicContact CD1-CB 4.28Å; P516-I534 HydrophobicContact CB-CD1 4.45Å; P516-H569 HydrophobicContact CG-CB 4.37Å |
| 517 | N | 87.3 | Confident | 86.8 | Confident | 66 Ų | 66 | 46.2 Ų | 46.2 | 35% | 0.353 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 135.2 | 174.5 | -78.7 | -16.2 | 0 | 0 | 0 | 110.1 | F509 E510 E512 L519 | F509-N517 CarbonylContact C-O 3.56Å; F509-N517 WeakPolarHBondContact CA-O 3.49Å; E510-N517 HydrophobicContact CG-CB 4.3Å; E510-N517 PolarHBondContact N-O 3.11Å; E510-N517 PolarHBondContact O-N 2.93Å; E512-N517 PolarHBondContact OE2-ND2 3.35Å; N517-L519 PolarHBondContact O-N 3.35Å |
| 518 | I | 88.4 | Confident | 86.7 | Confident | 97 Ų | 97 | 46.7 Ų | 46.7 | 50% | 0.497 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 126 | 178.5 | -62.9 | 170 | 0 | 0 | 0 | 109.7 | V500 T507 F509 | V500-I518 HydrophobicContact CG2-CD1 4.49Å; T507-I518 HydrophobicContact CG2-CG2 4.42Å; F509-I518 HydrophobicContact CD1-CG1 3.78Å; F509-I518 HydrophobicContact CE1-CD1 4.27Å; F509-I518 HydrophobicContact CE1-CG1 3.45Å; F509-I518 VanDerWaalsContact CE1-CG1 3.45Å; F509-I518 HydrophobicContact CZ-CG1 4.32Å |
| 519 | L | 87.7 | Confident | 86.4 | Confident | 7 Ų | 7 | 49 Ų | 49 | 4% | 0.037 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -80.4 | 142.5 | 176.1 | -172.1 | 67 | 0 | 0 | 0 | 109.9 | I508 N517 S521 M523 Y533 | I508-L519 HydrophobicContact CB-CB 4.15Å; I508-L519 HydrophobicContact CB-CD2 4.21Å; I508-L519 HydrophobicContact CG2-CB 4.19Å; I508-L519 HydrophobicContact CG2-CD2 3.79Å; I508-L519 WeakPolarHBondContact O-CB 3.36Å; I508-L519 PolarHBondContact O-N 2.88Å; N517-L519 PolarHBondContact O-N 3.35Å; L519-S521 PolarHBondContact O-N 2.88Å; L519-M523 HydrophobicContact CD1-CB 4Å; L519-M523 HydrophobicContact CD2-CB 4Å; L519-M523 HydrophobicContact CG-CB 3.91Å; L519-Y533 HydrophobicContact CD2-CD1 4.34Å; L519-Y533 HydrophobicContact CD2-CE1 4.23Å |
| 520 | D | 84.2 | Confident | 86.1 | Confident | 101 Ų | 101 | 49.1 Ų | 49.1 | 54% | 0.54 | 26% | 0.263 | S | S | . | . | P | Polyproline II helix | trans | -63.8 | 135.7 | 174.2 | -173.4 | -2.2 | 0 | 0 | 0 | 110.8 | A522 M523 | D520-A522 PolarHBondContact O-N 3.06Å; D520-A522 PolarHBondContact OD1-N 3.01Å; D520-M523 WeakPolarHBondContact O-CA 3.33Å; D520-M523 WeakPolarHBondContact O-CB 3.36Å; D520-M523 PolarHBondContact O-N 2.81Å |
| 521 | S | 80.2 | Confident | 86 | Confident | 86 Ų | 86 | 48.6 Ų | 48.6 | 60% | 0.601 | 26% | 0.26 | S | S | * | . | G | 310 helix | trans | -47.8 | -32.8 | 174.7 | 59 | 0 | 0 | 0 | 0 | 114.4 | L519 M523 H524 | L519-S521 PolarHBondContact O-N 2.88Å; S521-M523 PolarHBondContact O-N 3.13Å; S521-H524 PolarHBondContact O-N 2.88Å |
| 522 | A | 79.7 | Confident | 86.2 | Confident | 64 Ų | 64 | 48.5 Ų | 48.5 | 53% | 0.529 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -68.1 | -14.1 | 177 | 0 | 0 | 0 | 0 | 0 | 114.5 | D520 K526 | D520-A522 PolarHBondContact O-N 3.06Å; D520-A522 PolarHBondContact OD1-N 3.01Å; A522-K526 PolarHBondContact O-NZ 3.5Å |
| 523 | M | 84.3 | Confident | 86.7 | Confident | 43 Ų | 43 | 45.3 Ų | 45.3 | 21% | 0.212 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -106.5 | 2.4 | -180 | -63.3 | -60.3 | -65 | 0 | 0 | 112.9 | L519 D520 S521 G525 K526 Y528 I606 | L519-M523 HydrophobicContact CD1-CB 4Å; L519-M523 HydrophobicContact CD2-CB 4Å; L519-M523 HydrophobicContact CG-CB 3.91Å; D520-M523 WeakPolarHBondContact O-CA 3.33Å; D520-M523 WeakPolarHBondContact O-CB 3.36Å; D520-M523 PolarHBondContact O-N 2.81Å; S521-M523 PolarHBondContact O-N 3.13Å; M523-G525 PolarHBondContact O-N 3.18Å; M523-K526 HydrophobicContact CE-CB 4.07Å; M523-K526 HydrophobicContact CE-CD 3.99Å; M523-K526 PolarHBondContact O-N 3.44Å; M523-K526 HydrophobicContact SD-CD 4.07Å; M523-Y528 HydrophobicContact CE-CE2 4.41Å; M523-I606 HydrophobicContact CE-CD1 4.41Å |
| 524 | H | 88 | Confident | 87.4 | Confident | 54 Ų | 54 | 41.8 Ų | 41.8 | 25% | 0.25 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | 134.3 | 173.2 | -68.6 | -175.1 | 0 | 0 | 0 | 110.4 | L506 I508 S521 K526 | L506-H524 PolarHBondContact O-CE1 3.24Å; L506-H524 VanDerWaalsContact O-CE1 3.29Å; I508-H524 HydrophobicContact CD1-CB 3.95Å; S521-H524 PolarHBondContact O-N 2.88Å; H524-K526 VanDerWaalsContact C-N 3.31Å; H524-K526 PolarHBondContact O-N 3.38Å |
| 525 | G | 84.7 | Confident | 88 | Confident | 6 Ų | 6 | 38.3 Ų | 38.3 | 6% | 0.062 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.6 | -1.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | M523 I603 V604 | M523-G525 PolarHBondContact O-N 3.18Å; G525-I603 CarbonylContact O-C 3.46Å; G525-I603 WeakPolarHBondContact O-CA 3.28Å; G525-V604 PolarHBondContact O-N 2.91Å |
| 526 | K | 88.6 | Confident | 88.5 | Confident | 84 Ų | 84 | 34.2 Ų | 34.2 | 37% | 0.365 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 105.5 | 176.4 | -63.6 | 174 | -171.9 | 152.6 | 0 | 110.7 | A522 M523 H524 V604 I606 | A522-K526 PolarHBondContact O-NZ 3.5Å; M523-K526 HydrophobicContact CE-CB 4.07Å; M523-K526 HydrophobicContact CE-CD 3.99Å; M523-K526 PolarHBondContact O-N 3.44Å; M523-K526 HydrophobicContact SD-CD 4.07Å; H524-K526 VanDerWaalsContact C-N 3.31Å; H524-K526 PolarHBondContact O-N 3.38Å; K526-V604 WeakPolarHBondContact CA-O 3.44Å; K526-V604 HydrophobicContact CG-CB 4.3Å; K526-I606 HydrophobicContact CB-CD1 4.11Å |
| 527 | F | 91.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 135.7 | -176.9 | -63.2 | -58.8 | 0 | 0 | 0 | 112.3 | I508 Y533 V535 W553 F595 F599 I603 V604 Y605 I606 | I508-F527 HydrophobicContact CD1-CZ 4.44Å; I508-F527 HydrophobicContact CG2-CE1 4.26Å; F527-Y533 HydrophobicContact CB-CD2 4.32Å; F527-Y533 HydrophobicContact CB-CE2 4.05Å; F527-Y533 HydrophobicContact CD1-CD1 4.01Å; F527-Y533 AromaticContact CD1-CD2 3.28Å; F527-Y533 HydrophobicContact CD1-CD2 3.28Å; F527-Y533 HydrophobicContact CD1-CE1 4.29Å; F527-Y533 AromaticContact CD1-CE2 3.62Å; F527-Y533 HydrophobicContact CD1-CE2 3.62Å; F527-Y533 AromaticContact CD1-CG 3.51Å; F527-Y533 HydrophobicContact CD1-CG 3.51Å; F527-Y533 HydrophobicContact CE1-CD1 4.14Å; F527-Y533 AromaticContact CE1-CD2 3.91Å; F527-Y533 HydrophobicContact CE1-CD2 3.91Å; F527-Y533 AromaticContact CE1-CG 3.67Å; F527-Y533 HydrophobicContact CE1-CG 3.67Å; F527-Y533 HydrophobicContact CG-CD2 4.15Å; F527-Y533 HydrophobicContact CG-CE2 4.3Å; F527-V535 HydrophobicContact CZ-CG2 4.2Å; F527-W553 HydrophobicContact CB-CD2 4.27Å; F527-W553 HydrophobicContact CB-CE3 4.08Å; F527-W553 HydrophobicContact CB-CH2 3.56Å; F527-W553 HydrophobicContact CB-CZ2 3.81Å; F527-W553 HydrophobicContact CB-CZ3 3.72Å; F527-W553 HydrophobicContact CD1-CE3 4.45Å; F527-W553 HydrophobicContact CD2-CD2 4.29Å; F527-W553 HydrophobicContact CD2-CG 4.5Å; F527-W553 HydrophobicContact CG-CD2 4.15Å; F527-W553 HydrophobicContact CG-CE3 4.22Å; F527-W553 HydrophobicContact CG-CH2 4.45Å; F527-W553 HydrophobicContact CG-CZ2 4.42Å; F527-W553 HydrophobicContact CG-CZ3 4.37Å; F527-F595 HydrophobicContact CE2-CE1 4.25Å; F527-F595 HydrophobicContact CE2-CZ 4Å; F527-F595 HydrophobicContact CZ-CZ 4.13Å; F527-F599 HydrophobicContact CE2-CE2 4.33Å; F527-F599 AromaticContact CE2-CZ 3.96Å; F527-F599 HydrophobicContact CE2-CZ 3.96Å; F527-F599 HydrophobicContact CZ-CE1 4.31Å; F527-F599 AromaticContact CZ-CZ 3.76Å; F527-F599 HydrophobicContact CZ-CZ 3.76Å; F527-I603 HydrophobicContact CD2-CD1 4.44Å; F527-I603 HydrophobicContact CD2-CG2 3.56Å; F527-I603 HydrophobicContact CE2-CD1 4.06Å; F527-I603 HydrophobicContact CE2-CG1 4.46Å; F527-I603 HydrophobicContact CE2-CG2 4.11Å; F527-V604 PolarHBondContact N-O 2.8Å; F527-Y605 CarbonylContact O-C 3.56Å; F527-Y605 WeakPolarHBondContact O-CA 3.18Å; F527-I606 PolarHBondContact O-N 3.11Å |
| 528 | Y | 88.9 | Confident | 88.9 | Confident | 47 Ų | 47 | 33.9 Ų | 33.9 | 18% | 0.184 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 131.2 | 173.8 | -74.3 | -98.9 | 0 | 0 | 0 | 110.8 | M523 G530 D531 Y533 W553 I606 R610 | M523-Y528 HydrophobicContact CE-CE2 4.41Å; Y528-G530 PolarHBondContact O-N 3.22Å; Y528-G530 VanDerWaalsContact O-N 3.11Å; Y528-D531 PolarHBondContact O-N 2.95Å; Y528-Y533 VanDerWaalsContact CD2-OH 3.28Å; Y528-Y533 WeakPolarHBondContact CD2-OH 3.34Å; Y528-Y533 PolarHBondContact N-OH 3.34Å; Y528-W553 WeakPolarHBondContact O-CZ3 3.31Å; Y528-I606 WeakPolarHBondContact CA-O 3.35Å; Y528-I606 HydrophobicContact CD1-CB 3.84Å; Y528-I606 HydrophobicContact CD1-CG2 3.68Å; Y528-I606 HydrophobicContact CD2-CD1 4.4Å; Y528-I606 HydrophobicContact CE1-CB 3.92Å; Y528-I606 HydrophobicContact CE1-CD1 4.37Å; Y528-I606 HydrophobicContact CE1-CG2 3.37Å; Y528-I606 HydrophobicContact CE2-CD1 3.91Å; Y528-I606 HydrophobicContact CG-CB 4.17Å; Y528-I606 HydrophobicContact CG-CG2 4.49Å; Y528-R610 HydrophobicContact CD1-CB 4.06Å; Y528-R610 HydrophobicContact CD2-CB 3.83Å; Y528-R610 HydrophobicContact CE1-CB 3.96Å; Y528-R610 HydrophobicContact CE2-CB 3.72Å; Y528-R610 HydrophobicContact CE2-CG 4.2Å; Y528-R610 HydrophobicContact CG-CB 3.98Å |
| 529 | E | 86.9 | Confident | 88.9 | Confident | 47 Ų | 47 | 32 Ų | 32 | 22% | 0.22 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -24.7 | -178.6 | 66.6 | 179.1 | 170.7 | 0 | 0 | 113.5 | G555 E556 S557 A558 M588 I606 T607 G608 | E529-G555 CarbonylContact O-C 3.3Å; E529-G555 WeakPolarHBondContact O-CA 3.4Å; E529-E556 PolarHBondContact O-N 3.25Å; E529-S557 CarbonylContact O-C 3.6Å; E529-S557 WeakPolarHBondContact O-CA 3.11Å; E529-S557 PolarHBondContact O-N 3.23Å; E529-A558 PolarHBondContact O-N 3.4Å; E529-M588 HydrophobicContact CB-CE 4.48Å; E529-M588 HydrophobicContact CB-SD 3.88Å; E529-I606 PolarHBondContact N-O 3.13Å; E529-T607 VanDerWaalsContact OE1-CA 3.22Å; E529-T607 WeakPolarHBondContact OE1-CA 3.07Å; E529-T607 WeakPolarHBondContact OE1-CB 3.4Å; E529-G608 PolarHBondContact OE1-N 3.42Å |
| 530 | G | 86.6 | Confident | 88.9 | Confident | 7 Ų | 7 | 35.7 Ų | 35.7 | 7% | 0.072 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -0.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y528 A558 K562 G608 | Y528-G530 PolarHBondContact O-N 3.22Å; Y528-G530 VanDerWaalsContact O-N 3.11Å; G530-A558 WeakPolarHBondContact O-CA 3.22Å; G530-K562 PolarHBondContact O-NZ 3.37Å; G530-G608 PolarHBondContact N-O 2.88Å |
| 531 | D | 91 | Very high | 88.7 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | trans | -118.7 | 170.1 | -173.8 | -67.1 | -22.8 | 0 | 0 | 0 | 112.1 | Y528 Y533 G555 K562 R610 T611 | Y528-D531 PolarHBondContact O-N 2.95Å; D531-Y533 HydrophobicContact CB-CE2 3.75Å; D531-G555 PolarHBondContact O-N 2.75Å; D531-G555 VanDerWaalsContact O-N 3.12Å; D531-K562 IonicContact OD1-NZ 2.79Å; D531-K562 PolarHBondContact OD1-NZ 3.17Å; D531-R610 WeakPolarHBondContact OD2-CA 3.47Å; D531-R610 WeakPolarHBondContact OD2-CB 3.47Å; D531-R610 PolarHBondContact OD2-N 3.33Å; D531-T611 PolarHBondContact OD1-OG1 2.95Å; D531-T611 VanDerWaalsContact OD1-OG1 3.09Å; D531-T611 PolarHBondContact OD2-N 3.43Å; D531-T611 VanDerWaalsContact OD2-N 3.12Å | ||
| 532 | C | 93.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 146 | 173.3 | -58.5 | 0 | 0 | 0 | 0 | 108.7 | I511 W553 A558 K562 A566 | I511-C532 HydrophobicContact CG1-CB 4.33Å; I511-C532 WeakPolarHBondContact CG1-O 3.29Å; I511-C532 PolarHBondContact N-O 3.06Å; I511-C532 VanDerWaalsContact N-O 3.08Å; C532-W553 WeakPolarHBondContact CA-O 3.36Å; C532-A558 VanDerWaalsContact SG-CB 3.52Å; C532-K562 HydrophobicContact CB-CB 4.34Å; C532-A566 HydrophobicContact CB-CB 3.63Å |
| 533 | Y | 94.7 | Very high | 88.8 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 0% | 0.004 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 151.8 | -175 | -59.7 | -94.2 | 0 | 0 | 0 | 111 | I508 F509 E510 L519 F527 Y528 D531 Y552 W553 | I508-Y533 HydrophobicContact CG2-CD1 4.12Å; F509-Y533 CarbonylContact O-C 3.37Å; F509-Y533 WeakPolarHBondContact O-CA 3.38Å; F509-Y533 WeakPolarHBondContact O-CB 3.36Å; E510-Y533 HydrophobicContact CB-CD1 3.64Å; E510-Y533 HydrophobicContact CB-CE1 3.46Å; E510-Y533 VanDerWaalsContact CB-CE1 3.46Å; L519-Y533 HydrophobicContact CD2-CD1 4.34Å; L519-Y533 HydrophobicContact CD2-CE1 4.23Å; F527-Y533 HydrophobicContact CB-CD2 4.32Å; F527-Y533 HydrophobicContact CB-CE2 4.05Å; F527-Y533 HydrophobicContact CD1-CD1 4.01Å; F527-Y533 AromaticContact CD1-CD2 3.28Å; F527-Y533 HydrophobicContact CD1-CD2 3.28Å; F527-Y533 HydrophobicContact CD1-CE1 4.29Å; F527-Y533 AromaticContact CD1-CE2 3.62Å; F527-Y533 HydrophobicContact CD1-CE2 3.62Å; F527-Y533 AromaticContact CD1-CG 3.51Å; F527-Y533 HydrophobicContact CD1-CG 3.51Å; F527-Y533 HydrophobicContact CE1-CD1 4.14Å; F527-Y533 AromaticContact CE1-CD2 3.91Å; F527-Y533 HydrophobicContact CE1-CD2 3.91Å; F527-Y533 AromaticContact CE1-CG 3.67Å; F527-Y533 HydrophobicContact CE1-CG 3.67Å; F527-Y533 HydrophobicContact CG-CD2 4.15Å; F527-Y533 HydrophobicContact CG-CE2 4.3Å; Y528-Y533 VanDerWaalsContact CD2-OH 3.28Å; Y528-Y533 WeakPolarHBondContact CD2-OH 3.34Å; Y528-Y533 PolarHBondContact N-OH 3.34Å; D531-Y533 HydrophobicContact CB-CE2 3.75Å; Y533-Y552 CarbonylContact O-C 3.43Å; Y533-Y552 WeakPolarHBondContact O-CA 3.27Å; Y533-W553 AromaticContact CD2-CE3 3.66Å; Y533-W553 HydrophobicContact CD2-CE3 3.66Å; Y533-W553 AromaticContact CD2-CZ3 3.96Å; Y533-W553 HydrophobicContact CD2-CZ3 3.96Å; Y533-W553 HydrophobicContact CE2-CE3 4.22Å; Y533-W553 HydrophobicContact CE2-CZ3 4.04Å; Y533-W553 PolarHBondContact N-O 3.24Å; Y533-W553 PolarHBondContact O-N 3.44Å |
| 534 | I | 95 | Very high | 88.6 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 128.6 | 169.9 | -57.9 | 166.5 | 0 | 0 | 0 | 106.8 | I508 F509 I511 P516 I550 Y551 H569 A570 L573 | I508-I534 CarbonylContact C-O 3.34Å; I508-I534 WeakPolarHBondContact CA-O 3.39Å; F509-I534 HydrophobicContact CB-CB 4.18Å; F509-I534 HydrophobicContact CD2-CB 4.21Å; F509-I534 HydrophobicContact CD2-CG2 4.32Å; F509-I534 PolarHBondContact N-O 3.22Å; F509-I534 PolarHBondContact O-N 3.28Å; I511-I534 HydrophobicContact CD1-CD1 3.98Å; I511-I534 HydrophobicContact CD1-CG1 4.44Å; P516-I534 HydrophobicContact CB-CD1 4.45Å; I534-I550 HydrophobicContact CG2-CG2 4.19Å; I534-Y551 CarbonylContact C-O 3.52Å; I534-Y551 WeakPolarHBondContact CA-O 3.27Å; I534-H569 HydrophobicContact CD1-CB 3.47Å; I534-H569 VanDerWaalsContact CD1-CB 3.47Å; I534-A570 HydrophobicContact CG1-CB 4.46Å; I534-A570 HydrophobicContact CG2-CB 4.32Å; I534-L573 HydrophobicContact CG2-CD2 3.91Å |
| 535 | V | 94.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 117 | -177.7 | -178.8 | 0 | 0 | 0 | 0 | 108.4 | L506 I508 F527 I550 Y551 F595 L598 F599 | L506-V535 HydrophobicContact CD1-CG1 3.54Å; L506-V535 HydrophobicContact CG-CG1 4.35Å; I508-V535 HydrophobicContact CD1-CG2 4.4Å; I508-V535 HydrophobicContact CG1-CG1 4.19Å; I508-V535 HydrophobicContact CG1-CG2 4.14Å; I508-V535 HydrophobicContact CG2-CG2 4.19Å; F527-V535 HydrophobicContact CZ-CG2 4.2Å; V535-I550 WeakPolarHBondContact O-CA 3.14Å; V535-Y551 PolarHBondContact N-O 3.36Å; V535-Y551 PolarHBondContact O-N 2.95Å; V535-F595 HydrophobicContact CB-CE2 4.09Å; V535-F595 HydrophobicContact CG1-CE2 4.33Å; V535-F595 HydrophobicContact CG2-CE2 3.84Å; V535-F595 HydrophobicContact CG2-CZ 4.18Å; V535-L598 HydrophobicContact CG1-CD1 4.21Å; V535-F599 HydrophobicContact CG1-CZ 4.46Å |
| 536 | L | 94.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 117.9 | 177.6 | 173.5 | 69.2 | 0 | 0 | 0 | 109.1 | V500 L506 T507 F509 W548 L549 I550 L573 L577 | V500-L536 HydrophobicContact CG1-CD2 3.79Å; L506-L536 CarbonylContact C-O 3.49Å; L506-L536 WeakPolarHBondContact CA-O 3.17Å; T507-L536 PolarHBondContact N-O 3.12Å; T507-L536 PolarHBondContact O-N 2.88Å; F509-L536 HydrophobicContact CE2-CB 4.39Å; L536-W548 HydrophobicContact CD1-CB 4.07Å; L536-W548 HydrophobicContact CD1-CG 4.39Å; L536-L549 WeakPolarHBondContact CA-O 3.21Å; L536-I550 HydrophobicContact CD1-CD1 4.38Å; L536-I550 HydrophobicContact CD1-CG1 3.7Å; L536-L573 HydrophobicContact CB-CD2 4.1Å; L536-L573 HydrophobicContact CD1-CD2 4.39Å; L536-L573 HydrophobicContact CD2-CD2 4.31Å; L536-L577 HydrophobicContact CD1-CD1 3.64Å; L536-L577 HydrophobicContact CD2-CD1 3.96Å; L536-L577 HydrophobicContact CG-CD1 4.49Å |
| 537 | K | 92.8 | Very high | 88.3 | Confident | 65 Ų | 65 | 46 Ų | 46 | 28% | 0.283 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 122.2 | 168.5 | 179.9 | 69.8 | 174.6 | -168.6 | 0 | 108.9 | L506 V539 W548 L549 L598 | L506-K537 HydrophobicContact CB-CD 4.42Å; L506-K537 HydrophobicContact CD1-CB 4.09Å; L506-K537 HydrophobicContact CD1-CD 4.07Å; K537-V539 HydrophobicContact CG-CG2 3.98Å; K537-W548 CarbonylContact O-C 3.53Å; K537-W548 WeakPolarHBondContact O-CA 3.38Å; K537-L549 HydrophobicContact CB-CB 4.27Å; K537-L549 PolarHBondContact N-O 2.99Å; K537-L549 PolarHBondContact O-N 3.18Å; K537-L598 HydrophobicContact CB-CD2 3.99Å; K537-L598 HydrophobicContact CD-CD2 4.09Å; K537-L598 HydrophobicContact CG-CD2 3.86Å |
| 538 | T | 91.9 | Very high | 88.4 | Confident | 3 Ų | 3 | 47.9 Ų | 47.9 | 2% | 0.018 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 121.9 | 175 | -52.1 | 0 | 0 | 0 | 0 | 108.8 | G501 L503 P504 G505 L546 D547 | G501-T538 WeakPolarHBondContact O-CG2 3.44Å; L503-T538 WeakPolarHBondContact O-CB 3.39Å; P504-T538 WeakPolarHBondContact CA-O 2.87Å; G505-T538 PolarHBondContact N-O 3.2Å; G505-T538 PolarHBondContact O-N 3.48Å; T538-L546 HydrophobicContact CG2-CB 4.33Å; T538-L546 HydrophobicContact CG2-CD2 3.74Å; T538-L546 HydrophobicContact CG2-CG 4.48Å; T538-D547 WeakPolarHBondContact CA-O 3.31Å |
| 539 | V | 88.6 | Confident | 88.6 | Confident | 57 Ų | 57 | 48.6 Ų | 48.6 | 35% | 0.345 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 144.3 | -178.4 | -173.9 | 0 | 0 | 0 | 0 | 108.7 | K537 L546 D547 | K537-V539 HydrophobicContact CG-CG2 3.98Å; V539-L546 WeakPolarHBondContact O-CA 3.5Å; V539-D547 PolarHBondContact N-O 3.31Å; V539-D547 PolarHBondContact O-N 3.17Å |
| 540 | L | 86.9 | Confident | 89 | Confident | 84 Ų | 84 | 46.4 Ų | 46.4 | 44% | 0.44 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 114.5 | 172.5 | -165.1 | 86.8 | 0 | 0 | 0 | 108.2 | P504 L546 | P504-L540 HydrophobicContact CG-CB 4.18Å; P504-L540 HydrophobicContact CG-CD1 4.41Å; L540-L546 HydrophobicContact CD1-CD2 3.81Å; L540-L546 HydrophobicContact CD1-CG 4.49Å |
| 541 | D | 80.7 | Confident | 89.4 | Confident | 68 Ų | 68 | 46.3 Ų | 46.3 | 36% | 0.364 | 25% | 0.247 | S | C | . | . | trans | -71.2 | 165.2 | 176.1 | -77.3 | -16.9 | 0 | 0 | 0 | 111.9 | S543 N544 S545 | D541-S543 PolarHBondContact O-N 2.97Å; D541-N544 WeakPolarHBondContact O-CA 3.13Å; D541-N544 PolarHBondContact O-N 3.29Å; D541-S545 PolarHBondContact N-O 2.91Å | ||
| 542 | E | 80.9 | Confident | 89.6 | Confident | 209 Ų | 209 | 47.5 Ų | 47.5 | 98% | 0.977 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -24.8 | 176 | -62.5 | -172.9 | 165 | 0 | 0 | 113.4 | N544 | E542-N544 VanDerWaalsContact C-N 3.27Å; E542-N544 PolarHBondContact O-N 3.36Å |
| 543 | S | 81 | Confident | 89.7 | Confident | 93 Ų | 93 | 47.5 Ų | 47.5 | 65% | 0.65 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | 7.2 | 174.6 | 38.7 | 0 | 0 | 0 | 0 | 114.7 | D541 S545 | D541-S543 PolarHBondContact O-N 2.97Å; S543-S545 PolarHBondContact O-N 3.41Å; S543-S545 PolarHBondContact OG-OG 2.8Å |
| 544 | N | 79.3 | Confident | 89.7 | Confident | 131 Ų | 131 | 47.7 Ų | 47.7 | 70% | 0.701 | 25% | 0.252 | S | S | * | . | S | Bend | trans | 56.3 | 22.4 | -169.3 | -75.5 | -19.4 | 0 | 0 | 0 | 113.7 | D541 E542 | D541-N544 WeakPolarHBondContact O-CA 3.13Å; D541-N544 PolarHBondContact O-N 3.29Å; E542-N544 VanDerWaalsContact C-N 3.27Å; E542-N544 PolarHBondContact O-N 3.36Å |
| 545 | S | 82.3 | Confident | 89.5 | Confident | 48 Ų | 48 | 47.7 Ų | 47.7 | 34% | 0.336 | 25% | 0.252 | S | S | . | . | trans | -86.9 | 143.5 | 169.1 | 43.2 | 0 | 0 | 0 | 0 | 110 | D541 S543 | D541-S545 PolarHBondContact N-O 2.91Å; S543-S545 PolarHBondContact O-N 3.41Å; S543-S545 PolarHBondContact OG-OG 2.8Å | ||
| 546 | L | 85.6 | Confident | 89.2 | Confident | 43 Ų | 43 | 54 Ų | 54 | 23% | 0.225 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 128.4 | 171.7 | -64.2 | 166.9 | 0 | 0 | 0 | 108.7 | Q502 P504 T538 V539 L540 W548 | Q502-L546 WeakPolarHBondContact O-CD1 3.43Å; P504-L546 HydrophobicContact CG-CD2 4.17Å; T538-L546 HydrophobicContact CG2-CB 4.33Å; T538-L546 HydrophobicContact CG2-CD2 3.74Å; T538-L546 HydrophobicContact CG2-CG 4.48Å; V539-L546 WeakPolarHBondContact O-CA 3.5Å; L540-L546 HydrophobicContact CD1-CD2 3.81Å; L540-L546 HydrophobicContact CD1-CG 4.49Å; L546-W548 HydrophobicContact CB-CH2 4.29Å; L546-W548 HydrophobicContact CB-CZ2 3.77Å; L546-W548 HydrophobicContact CD1-CZ2 4.46Å |
| 547 | D | 88.3 | Confident | 88.8 | Confident | 64 Ų | 64 | 57.6 Ų | 57.6 | 34% | 0.342 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 152.6 | 167.1 | -163.3 | 17.5 | 0 | 0 | 0 | 109.8 | T538 V539 | T538-D547 WeakPolarHBondContact CA-O 3.31Å; V539-D547 PolarHBondContact N-O 3.31Å; V539-D547 PolarHBondContact O-N 3.17Å |
| 548 | W | 92.4 | Very high | 88.4 | Confident | 38 Ų | 38 | 54.9 Ų | 54.9 | 14% | 0.144 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 134.2 | -171.8 | -56.4 | -80.9 | 0 | 0 | 0 | 111.3 | G501 L536 K537 L546 L577 A579 C581 | G501-W548 PolarHBondContact O-NE1 2.57Å; L536-W548 HydrophobicContact CD1-CB 4.07Å; L536-W548 HydrophobicContact CD1-CG 4.39Å; K537-W548 CarbonylContact O-C 3.53Å; K537-W548 WeakPolarHBondContact O-CA 3.38Å; L546-W548 HydrophobicContact CB-CH2 4.29Å; L546-W548 HydrophobicContact CB-CZ2 3.77Å; L546-W548 HydrophobicContact CD1-CZ2 4.46Å; W548-L577 HydrophobicContact CB-CD1 4.45Å; W548-L577 HydrophobicContact CD2-CB 4.33Å; W548-L577 HydrophobicContact CD2-CD1 4.43Å; W548-L577 HydrophobicContact CG-CD1 3.98Å; W548-A579 HydrophobicContact CB-CB 4.08Å; W548-A579 HydrophobicContact CD2-CB 4.25Å; W548-A579 HydrophobicContact CE3-CB 3.69Å; W548-A579 HydrophobicContact CG-CB 4.45Å; W548-A579 HydrophobicContact CZ3-CB 4.49Å; W548-C581 WeakPolarHBondContact O-CB 3.44Å; W548-C581 PolarHBondContact O-SG 3.34Å |
| 549 | L | 92.8 | Very high | 88.1 | Confident | 62 Ų | 62 | 56.7 Ų | 56.7 | 33% | 0.325 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 127.2 | 168.1 | -59.6 | 169.1 | 0 | 0 | 0 | 108.8 | L536 K537 Y551 | L536-L549 WeakPolarHBondContact CA-O 3.21Å; K537-L549 HydrophobicContact CB-CB 4.27Å; K537-L549 PolarHBondContact N-O 2.99Å; K537-L549 PolarHBondContact O-N 3.18Å; L549-Y551 HydrophobicContact CB-CE2 3.71Å |
| 550 | I | 95.1 | Very high | 87.9 | Confident | 1 Ų | 1 | 61.2 Ų | 61.2 | 1% | 0.005 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 114.2 | -175.2 | -57 | 171.3 | 0 | 0 | 0 | 109.2 | I534 V535 L536 A570 L573 R574 L577 T583 I584 | I534-I550 HydrophobicContact CG2-CG2 4.19Å; V535-I550 WeakPolarHBondContact O-CA 3.14Å; L536-I550 HydrophobicContact CD1-CD1 4.38Å; L536-I550 HydrophobicContact CD1-CG1 3.7Å; I550-A570 HydrophobicContact CG2-CB 4.15Å; I550-L573 HydrophobicContact CD1-CG 4.27Å; I550-L573 HydrophobicContact CG2-CD2 4.39Å; I550-R574 VanDerWaalsContact CD1-CA 3.5Å; I550-R574 HydrophobicContact CD1-CB 3.69Å; I550-R574 HydrophobicContact CD1-CG 4.34Å; I550-L577 HydrophobicContact CD1-CD1 4.49Å; I550-T583 HydrophobicContact CB-CG2 4.33Å; I550-T583 HydrophobicContact CG2-CG2 4.01Å; I550-T583 WeakPolarHBondContact O-CA 3.47Å; I550-I584 PolarHBondContact O-N 2.71Å |
| 551 | Y | 95.6 | Very high | 87.7 | Confident | 5 Ų | 5 | 58.2 Ų | 58.2 | 2% | 0.02 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 154.8 | 173.2 | -53.9 | -102 | 0 | 0 | 0 | 109.4 | I534 V535 L549 I584 E586 F595 L598 | I534-Y551 CarbonylContact C-O 3.52Å; I534-Y551 WeakPolarHBondContact CA-O 3.27Å; V535-Y551 PolarHBondContact N-O 3.36Å; V535-Y551 PolarHBondContact O-N 2.95Å; L549-Y551 HydrophobicContact CB-CE2 3.71Å; Y551-I584 CarbonylContact C-O 3.53Å; Y551-I584 VanDerWaalsContact CA-O 3.31Å; Y551-I584 WeakPolarHBondContact CA-O 3.48Å; Y551-I584 HydrophobicContact CD1-CB 3.63Å; Y551-I584 HydrophobicContact CD1-CD1 4.09Å; Y551-I584 HydrophobicContact CD1-CG1 4.42Å; Y551-I584 HydrophobicContact CD1-CG2 3.75Å; Y551-I584 HydrophobicContact CE1-CB 3.99Å; Y551-I584 HydrophobicContact CE1-CD1 3.55Å; Y551-I584 HydrophobicContact CE1-CG1 4.35Å; Y551-I584 HydrophobicContact CE1-CG2 3.98Å; Y551-I584 HydrophobicContact CG-CB 4.35Å; Y551-E586 HydrophobicContact CD1-CG 4Å; Y551-F595 HydrophobicContact CD1-CB 4.22Å; Y551-F595 AromaticContact CD1-CD2 3.73Å; Y551-F595 HydrophobicContact CD1-CD2 3.73Å; Y551-F595 HydrophobicContact CD1-CG 4.41Å; Y551-F595 HydrophobicContact CD2-CD2 4.27Å; Y551-F595 HydrophobicContact CE1-CB 4.2Å; Y551-F595 HydrophobicContact CE1-CD2 4.37Å; Y551-F595 AromaticContact CG-CD2 3.69Å; Y551-F595 HydrophobicContact CG-CD2 3.69Å; Y551-F595 HydrophobicContact CG-CE2 4.24Å; Y551-L598 HydrophobicContact CD2-CD1 3.83Å; Y551-L598 HydrophobicContact CE2-CD1 3.65Å |
| 552 | Y | 95.8 | Very high | 88 | Confident | 26 Ų | 26 | 55.3 Ų | 55.3 | 10% | 0.102 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 125.3 | 163.7 | 67.1 | -79.6 | 0 | 0 | 0 | 109.6 | Y533 I554 A566 A567 A570 I584 R585 E586 | Y533-Y552 CarbonylContact O-C 3.43Å; Y533-Y552 WeakPolarHBondContact O-CA 3.27Å; Y552-I554 HydrophobicContact CD2-CD1 4.21Å; Y552-I554 HydrophobicContact CD2-CG1 4.21Å; Y552-I554 HydrophobicContact CE2-CD1 3.88Å; Y552-I554 HydrophobicContact CE2-CG1 4.38Å; Y552-A566 HydrophobicContact CD2-CB 4.27Å; Y552-A567 HydrophobicContact CD2-CB 4.44Å; Y552-A567 HydrophobicContact CE2-CB 3.91Å; Y552-A570 HydrophobicContact CD1-CB 4.03Å; Y552-A570 HydrophobicContact CG-CB 4.3Å; Y552-I584 WeakPolarHBondContact CD1-O 3.29Å; Y552-I584 PolarHBondContact N-O 2.82Å; Y552-R585 HydrophobicContact CE1-CB 3.77Å; Y552-R585 HydrophobicContact CE1-CG 4.35Å; Y552-R585 HydrophobicContact CE2-CB 4.06Å; Y552-R585 HydrophobicContact CE2-CG 3.69Å; Y552-R585 VanDerWaalsContact CZ-CB 3.44Å; Y552-R585 VanDerWaalsContact OH-CB 3.31Å; Y552-R585 WeakPolarHBondContact OH-CB 3.19Å; Y552-R585 WeakPolarHBondContact OH-CD 3.03Å; Y552-R585 WeakPolarHBondContact OH-CG 3.37Å; Y552-E586 PolarHBondContact O-N 2.99Å |
| 553 | W | 95.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 135.7 | -175.8 | -177 | 94.2 | 0 | 0 | 0 | 110.5 | F527 Y528 C532 Y533 G555 E586 M588 E591 F595 Y605 | F527-W553 HydrophobicContact CB-CD2 4.27Å; F527-W553 HydrophobicContact CB-CE3 4.08Å; F527-W553 HydrophobicContact CB-CH2 3.56Å; F527-W553 HydrophobicContact CB-CZ2 3.81Å; F527-W553 HydrophobicContact CB-CZ3 3.72Å; F527-W553 HydrophobicContact CD1-CE3 4.45Å; F527-W553 HydrophobicContact CD2-CD2 4.29Å; F527-W553 HydrophobicContact CD2-CG 4.5Å; F527-W553 HydrophobicContact CG-CD2 4.15Å; F527-W553 HydrophobicContact CG-CE3 4.22Å; F527-W553 HydrophobicContact CG-CH2 4.45Å; F527-W553 HydrophobicContact CG-CZ2 4.42Å; F527-W553 HydrophobicContact CG-CZ3 4.37Å; Y528-W553 WeakPolarHBondContact O-CZ3 3.31Å; C532-W553 WeakPolarHBondContact CA-O 3.36Å; Y533-W553 AromaticContact CD2-CE3 3.66Å; Y533-W553 HydrophobicContact CD2-CE3 3.66Å; Y533-W553 AromaticContact CD2-CZ3 3.96Å; Y533-W553 HydrophobicContact CD2-CZ3 3.96Å; Y533-W553 HydrophobicContact CE2-CE3 4.22Å; Y533-W553 HydrophobicContact CE2-CZ3 4.04Å; Y533-W553 PolarHBondContact N-O 3.24Å; Y533-W553 PolarHBondContact O-N 3.44Å; W553-G555 VanDerWaalsContact CH2-CA 3.49Å; W553-G555 VanDerWaalsContact CZ3-CA 3.41Å; W553-E586 CarbonylContact C-O 3.57Å; W553-E586 VanDerWaalsContact CA-O 3.29Å; W553-E586 WeakPolarHBondContact CA-O 3.34Å; W553-E586 HydrophobicContact CB-CB 4.46Å; W553-M588 HydrophobicContact CH2-CB 4.24Å; W553-M588 HydrophobicContact CH2-CG 4.28Å; W553-M588 HydrophobicContact CH2-SD 4.21Å; W553-M588 HydrophobicContact CZ2-CB 3.62Å; W553-M588 HydrophobicContact CZ2-CG 3.69Å; W553-M588 HydrophobicContact CZ2-SD 4.2Å; W553-E591 PolarHBondContact NE1-OE1 3.43Å; W553-F595 HydrophobicContact CB-CZ 4.19Å; W553-F595 AromaticContact CD1-CE1 3.87Å; W553-F595 HydrophobicContact CG-CZ 4.4Å; W553-Y605 HydrophobicContact CH2-CD1 4.48Å; W553-Y605 AromaticContact CZ2-CD1 3.89Å; W553-Y605 HydrophobicContact CZ2-CD1 3.89Å; W553-Y605 AromaticContact CZ2-CE1 3.72Å; W553-Y605 HydrophobicContact CZ2-CE1 3.72Å |
| 554 | I | 94.5 | Very high | 88.9 | Confident | 5 Ų | 5 | 46.1 Ų | 46.1 | 3% | 0.026 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 119 | -178 | -65.8 | 176.5 | 0 | 0 | 0 | 110.6 | Y552 K563 R585 E586 M588 | Y552-I554 HydrophobicContact CD2-CD1 4.21Å; Y552-I554 HydrophobicContact CD2-CG1 4.21Å; Y552-I554 HydrophobicContact CE2-CD1 3.88Å; Y552-I554 HydrophobicContact CE2-CG1 4.38Å; I554-K563 HydrophobicContact CD1-CB 4.45Å; I554-K563 HydrophobicContact CD1-CG 4.5Å; I554-K563 HydrophobicContact CG2-CD 3.78Å; I554-K563 VanDerWaalsContact CG2-CE 3.44Å; I554-K563 HydrophobicContact CG2-CG 3.71Å; I554-R585 HydrophobicContact CD1-CG 4.4Å; I554-R585 VanDerWaalsContact CD1-CZ 3.44Å; I554-E586 PolarHBondContact N-O 2.87Å; I554-M588 PolarHBondContact O-N 2.8Å |
| 555 | G | 91.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -69.4 | 145.3 | 170 | 0 | 0 | 0 | 0 | 0 | 113.2 | E529 D531 W553 S557 A558 | E529-G555 CarbonylContact O-C 3.3Å; E529-G555 WeakPolarHBondContact O-CA 3.4Å; D531-G555 PolarHBondContact O-N 2.75Å; D531-G555 VanDerWaalsContact O-N 3.12Å; W553-G555 VanDerWaalsContact CH2-CA 3.49Å; W553-G555 VanDerWaalsContact CZ3-CA 3.41Å; G555-S557 VanDerWaalsContact C-N 3.33Å; G555-S557 PolarHBondContact O-N 2.86Å; G555-A558 VanDerWaalsContact O-CB 3.28Å; G555-A558 WeakPolarHBondContact O-CB 3.47Å; G555-A558 PolarHBondContact O-N 3.49Å; G555-A558 VanDerWaalsContact O-N 3.17Å | ||
| 556 | E | 86.8 | Confident | 89.9 | Confident | 132 Ų | 132 | 38.4 Ų | 38.4 | 62% | 0.617 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -46.6 | -179.9 | -178.6 | 175.8 | -171.1 | 0 | 0 | 111.7 | E529 A558 K563 M588 | E529-E556 PolarHBondContact O-N 3.25Å; E556-A558 VanDerWaalsContact C-N 3.31Å; E556-A558 PolarHBondContact O-N 2.84Å; E556-K563 PolarHBondContact O-NZ 3.47Å; E556-M588 HydrophobicContact CB-CE 3.38Å; E556-M588 HydrophobicContact CB-SD 3.98Å; E556-M588 HydrophobicContact CG-CE 4.3Å; E556-M588 WeakPolarHBondContact OE2-CE 3.08Å |
| 557 | S | 85.4 | Confident | 90.2 | Very high | 75 Ų | 75 | 37.7 Ų | 37.7 | 52% | 0.524 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | 5.5 | -178.9 | -67.2 | 0 | 0 | 0 | 0 | 113.8 | E529 G555 | E529-S557 CarbonylContact O-C 3.6Å; E529-S557 WeakPolarHBondContact O-CA 3.11Å; E529-S557 PolarHBondContact O-N 3.23Å; G555-S557 VanDerWaalsContact C-N 3.33Å; G555-S557 PolarHBondContact O-N 2.86Å |
| 558 | A | 86.2 | Confident | 90.3 | Very high | 8 Ų | 8 | 39.1 Ų | 39.1 | 7% | 0.066 | 22% | 0.216 | C | C | . | . | trans | -68 | 143.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | E529 G530 C532 G555 E556 K563 | E529-A558 PolarHBondContact O-N 3.4Å; G530-A558 WeakPolarHBondContact O-CA 3.22Å; C532-A558 VanDerWaalsContact SG-CB 3.52Å; G555-A558 VanDerWaalsContact O-CB 3.28Å; G555-A558 WeakPolarHBondContact O-CB 3.47Å; G555-A558 PolarHBondContact O-N 3.49Å; G555-A558 VanDerWaalsContact O-N 3.17Å; E556-A558 VanDerWaalsContact C-N 3.31Å; E556-A558 PolarHBondContact O-N 2.84Å; A558-K563 HydrophobicContact CB-CG 4.28Å; A558-K563 WeakPolarHBondContact O-CE 3.26Å; A558-K563 PolarHBondContact O-NZ 2.77Å | ||
| 559 | S | 84.2 | Confident | 90.3 | Very high | 41 Ų | 41 | 38 Ų | 38 | 29% | 0.287 | 21% | 0.212 | S | C | . | . | trans | -70.6 | 149.7 | 177.7 | 63.1 | 0 | 0 | 0 | 0 | 111.7 | D561 K562 K563 | S559-D561 WeakPolarHBondContact CB-OD1 3.4Å; S559-D561 PolarHBondContact O-N 2.75Å; S559-D561 PolarHBondContact OG-OD1 2.76Å; S559-K562 PolarHBondContact O-N 3.23Å; S559-K562 VanDerWaalsContact O-N 3.07Å; S559-K563 WeakPolarHBondContact O-CG 3.21Å; S559-K563 PolarHBondContact O-N 3.2Å; S559-K563 VanDerWaalsContact O-N 3.12Å | ||
| 560 | I | 85.4 | Confident | 90.3 | Very high | 152 Ų | 152 | 35.1 Ų | 35.1 | 78% | 0.779 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -53.6 | -33.8 | -176.4 | -73 | 167.8 | 0 | 0 | 0 | 112.3 | K563 A564 | I560-K563 PolarHBondContact O-N 2.71Å; I560-A564 PolarHBondContact O-N 3.49Å |
| 561 | D | 82 | Confident | 90.1 | Very high | 22 Ų | 22 | 38 Ų | 38 | 12% | 0.118 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -72.3 | -39.3 | -179.3 | 66.3 | -67.9 | 0 | 0 | 0 | 113.3 | F514 S559 K563 A564 C565 S613 F615 | F514-D561 HydrophobicContact CE1-CB 4.09Å; S559-D561 WeakPolarHBondContact CB-OD1 3.4Å; S559-D561 PolarHBondContact O-N 2.75Å; S559-D561 PolarHBondContact OG-OD1 2.76Å; D561-K563 VanDerWaalsContact C-N 3.33Å; D561-A564 PolarHBondContact O-N 3.4Å; D561-C565 WeakPolarHBondContact O-CB 3.4Å; D561-C565 PolarHBondContact O-N 2.76Å; D561-C565 PolarHBondContact O-SG 3.11Å; D561-S613 WeakPolarHBondContact OD2-CB 3.4Å; D561-F615 HydrophobicContact CB-CD2 3.62Å; D561-F615 HydrophobicContact CB-CE2 3.41Å; D561-F615 VanDerWaalsContact CB-CE2 3.41Å |
| 562 | K | 88.4 | Confident | 89.8 | Confident | 7 Ų | 7 | 39.1 Ų | 39.1 | 3% | 0.03 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.3 | -41.6 | 172.5 | -69.4 | -173.9 | -176.5 | -179.8 | 0 | 110.8 | I511 G530 D531 C532 S559 A564 C565 A566 T611 | I511-K562 HydrophobicContact CG2-CG 4.35Å; G530-K562 PolarHBondContact O-NZ 3.37Å; D531-K562 IonicContact OD1-NZ 2.79Å; D531-K562 PolarHBondContact OD1-NZ 3.17Å; C532-K562 HydrophobicContact CB-CB 4.34Å; S559-K562 PolarHBondContact O-N 3.23Å; S559-K562 VanDerWaalsContact O-N 3.07Å; K562-A564 VanDerWaalsContact C-N 3.32Å; K562-A564 PolarHBondContact O-N 3.35Å; K562-C565 PolarHBondContact O-N 2.91Å; K562-A566 WeakPolarHBondContact O-CB 3.41Å; K562-A566 PolarHBondContact O-N 2.83Å; K562-T611 PolarHBondContact NZ-O 3Å; K562-T611 PolarHBondContact NZ-OG1 2.88Å |
| 563 | K | 91 | Very high | 89.6 | Confident | 61 Ų | 61 | 37.9 Ų | 37.9 | 27% | 0.265 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -57.3 | -45 | 174.3 | -63.7 | -175.6 | 178.3 | 179.6 | 0 | 111.5 | I554 E556 A558 S559 I560 D561 A567 | I554-K563 HydrophobicContact CD1-CB 4.45Å; I554-K563 HydrophobicContact CD1-CG 4.5Å; I554-K563 HydrophobicContact CG2-CD 3.78Å; I554-K563 VanDerWaalsContact CG2-CE 3.44Å; I554-K563 HydrophobicContact CG2-CG 3.71Å; E556-K563 PolarHBondContact O-NZ 3.47Å; A558-K563 HydrophobicContact CB-CG 4.28Å; A558-K563 WeakPolarHBondContact O-CE 3.26Å; A558-K563 PolarHBondContact O-NZ 2.77Å; S559-K563 WeakPolarHBondContact O-CG 3.21Å; S559-K563 PolarHBondContact O-N 3.2Å; S559-K563 VanDerWaalsContact O-N 3.12Å; I560-K563 PolarHBondContact O-N 2.71Å; D561-K563 VanDerWaalsContact C-N 3.33Å; K563-A567 PolarHBondContact O-N 2.9Å |
| 564 | A | 88 | Confident | 89.3 | Confident | 47 Ų | 47 | 41.6 Ų | 41.6 | 39% | 0.388 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -67.6 | -42.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | I560 D561 K562 A567 I568 | I560-A564 PolarHBondContact O-N 3.49Å; D561-A564 PolarHBondContact O-N 3.4Å; K562-A564 VanDerWaalsContact C-N 3.32Å; K562-A564 PolarHBondContact O-N 3.35Å; A564-A567 PolarHBondContact O-N 2.83Å; A564-I568 VanDerWaalsContact O-CG1 3.27Å; A564-I568 WeakPolarHBondContact O-CG1 3.25Å; A564-I568 PolarHBondContact O-N 2.73Å |
| 565 | C | 90.2 | Very high | 88.9 | Confident | 17 Ų | 17 | 43.9 Ų | 43.9 | 12% | 0.115 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.5 | -41.3 | -179.2 | -70.3 | 0 | 0 | 0 | 0 | 112.6 | I511 D561 K562 A567 I568 H569 | I511-C565 HydrophobicContact CG2-CB 3.75Å; D561-C565 WeakPolarHBondContact O-CB 3.4Å; D561-C565 PolarHBondContact O-N 2.76Å; D561-C565 PolarHBondContact O-SG 3.11Å; K562-C565 PolarHBondContact O-N 2.91Å; C565-A567 VanDerWaalsContact C-N 3.33Å; C565-A567 PolarHBondContact O-N 3.35Å; C565-I568 PolarHBondContact O-N 2.86Å; C565-H569 WeakPolarHBondContact O-CB 3.49Å; C565-H569 PolarHBondContact O-CD2 3.32Å; C565-H569 VanDerWaalsContact O-CD2 3.24Å; C565-H569 PolarHBondContact O-N 2.93Å |
| 566 | A | 92.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58.9 | -45.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | I511 C532 Y552 K562 A570 | I511-A566 HydrophobicContact CG1-CB 4.01Å; C532-A566 HydrophobicContact CB-CB 3.63Å; Y552-A566 HydrophobicContact CD2-CB 4.27Å; K562-A566 WeakPolarHBondContact O-CB 3.41Å; K562-A566 PolarHBondContact O-N 2.83Å; A566-A570 VanDerWaalsContact O-CB 3.25Å; A566-A570 WeakPolarHBondContact O-CB 2.96Å; A566-A570 PolarHBondContact O-N 3.02Å |
| 567 | A | 92.1 | Very high | 88.6 | Confident | 28 Ų | 28 | 41.5 Ų | 41.5 | 23% | 0.231 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.2 | -44.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y552 K563 A564 C565 V571 | Y552-A567 HydrophobicContact CD2-CB 4.44Å; Y552-A567 HydrophobicContact CE2-CB 3.91Å; K563-A567 PolarHBondContact O-N 2.9Å; A564-A567 PolarHBondContact O-N 2.83Å; C565-A567 VanDerWaalsContact C-N 3.33Å; C565-A567 PolarHBondContact O-N 3.35Å; A567-V571 WeakPolarHBondContact O-CG2 3.43Å; A567-V571 PolarHBondContact O-N 2.6Å |
| 568 | I | 89.4 | Confident | 88.4 | Confident | 95 Ų | 95 | 40.6 Ų | 40.6 | 49% | 0.487 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -64.7 | -47.7 | 179.2 | -69.8 | 166 | 0 | 0 | 0 | 110.9 | A564 C565 V571 N572 | A564-I568 VanDerWaalsContact O-CG1 3.27Å; A564-I568 WeakPolarHBondContact O-CG1 3.25Å; A564-I568 PolarHBondContact O-N 2.73Å; C565-I568 PolarHBondContact O-N 2.86Å; I568-V571 WeakPolarHBondContact O-CB 3.43Å; I568-V571 PolarHBondContact O-N 3.35Å; I568-N572 PolarHBondContact O-N 3.47Å |
| 569 | H | 92.6 | Very high | 88.2 | Confident | 15 Ų | 15 | 40.5 Ų | 40.5 | 7% | 0.069 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -72.9 | -28.9 | -176.6 | -71.6 | -46.9 | 0 | 0 | 0 | 112.9 | F496 F514 P516 I534 C565 V571 N572 L573 | F496-H569 HydrophobicContact CZ-CB 4.48Å; F514-H569 PolarHBondContact O-NE2 3.48Å; P516-H569 HydrophobicContact CG-CB 4.37Å; I534-H569 HydrophobicContact CD1-CB 3.47Å; I534-H569 VanDerWaalsContact CD1-CB 3.47Å; C565-H569 WeakPolarHBondContact O-CB 3.49Å; C565-H569 PolarHBondContact O-CD2 3.32Å; C565-H569 VanDerWaalsContact O-CD2 3.24Å; C565-H569 PolarHBondContact O-N 2.93Å; H569-V571 VanDerWaalsContact C-N 3.28Å; H569-V571 PolarHBondContact O-N 2.87Å; H569-N572 PolarHBondContact ND1-ND2 2.87Å; H569-N572 PolarHBondContact O-N 3.3Å; H569-L573 WeakPolarHBondContact O-CB 3.18Å; H569-L573 PolarHBondContact O-N 3.43Å |
| 570 | A | 93.2 | Very high | 88 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.1 | -39.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | I534 I550 Y552 A566 R574 T583 | I534-A570 HydrophobicContact CG1-CB 4.46Å; I534-A570 HydrophobicContact CG2-CB 4.32Å; I550-A570 HydrophobicContact CG2-CB 4.15Å; Y552-A570 HydrophobicContact CD1-CB 4.03Å; Y552-A570 HydrophobicContact CG-CB 4.3Å; A566-A570 VanDerWaalsContact O-CB 3.25Å; A566-A570 WeakPolarHBondContact O-CB 2.96Å; A566-A570 PolarHBondContact O-N 3.02Å; A570-R574 PolarHBondContact O-N 3.28Å; A570-R574 VanDerWaalsContact O-N 3.09Å; A570-T583 HydrophobicContact CB-CG2 3.93Å; A570-T583 WeakPolarHBondContact O-CG2 3.35Å |
| 571 | V | 91.3 | Very high | 87.9 | Confident | 61 Ų | 61 | 41.2 Ų | 41.2 | 37% | 0.37 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -69.3 | -39.2 | 174.7 | 175.6 | 0 | 0 | 0 | 0 | 111.4 | A567 I568 H569 R574 N575 T583 | A567-V571 WeakPolarHBondContact O-CG2 3.43Å; A567-V571 PolarHBondContact O-N 2.6Å; I568-V571 WeakPolarHBondContact O-CB 3.43Å; I568-V571 PolarHBondContact O-N 3.35Å; H569-V571 VanDerWaalsContact C-N 3.28Å; H569-V571 PolarHBondContact O-N 2.87Å; V571-R574 WeakPolarHBondContact O-CB 3.32Å; V571-R574 PolarHBondContact O-N 3.08Å; V571-N575 PolarHBondContact O-N 3.08Å; V571-N575 PolarHBondContact O-ND2 2.7Å; V571-T583 HydrophobicContact CG2-CG2 4.43Å |
| 572 | N | 90.2 | Very high | 88.2 | Confident | 30 Ų | 30 | 49 Ų | 49 | 16% | 0.16 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.5 | -43.2 | 175 | -67.2 | -23.1 | 0 | 0 | 0 | 111.5 | Y492 L495 F496 I568 H569 R574 N575 F576 | Y492-N572 HydrophobicContact CD1-CB 3.88Å; Y492-N572 HydrophobicContact CE1-CB 3.66Å; L495-N572 HydrophobicContact CD1-CB 4.35Å; F496-N572 HydrophobicContact CE2-CB 3.97Å; I568-N572 PolarHBondContact O-N 3.47Å; H569-N572 PolarHBondContact ND1-ND2 2.87Å; H569-N572 PolarHBondContact O-N 3.3Å; N572-R574 VanDerWaalsContact C-N 3.35Å; N572-R574 PolarHBondContact O-N 3.38Å; N572-N575 PolarHBondContact O-N 2.8Å; N572-F576 WeakPolarHBondContact O-CB 3.32Å; N572-F576 PolarHBondContact O-N 3Å |
| 573 | L | 90.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.1 | -44.1 | 177.2 | -177.5 | 58.7 | 0 | 0 | 0 | 111.4 | F496 V500 F509 I534 L536 I550 H569 N575 F576 L577 | F496-L573 HydrophobicContact CD1-CD1 3.82Å; F496-L573 HydrophobicContact CD2-CD1 4.19Å; F496-L573 HydrophobicContact CE1-CB 4.1Å; F496-L573 HydrophobicContact CE1-CD1 3.87Å; F496-L573 HydrophobicContact CE1-CG 4.39Å; F496-L573 HydrophobicContact CE2-CB 3.88Å; F496-L573 HydrophobicContact CE2-CD1 4.25Å; F496-L573 HydrophobicContact CG-CD1 3.99Å; F496-L573 HydrophobicContact CZ-CB 3.59Å; F496-L573 HydrophobicContact CZ-CD1 4.1Å; F496-L573 HydrophobicContact CZ-CG 4.35Å; V500-L573 HydrophobicContact CG1-CD1 3.8Å; F509-L573 HydrophobicContact CD2-CD2 4.46Å; F509-L573 HydrophobicContact CE2-CD2 3.96Å; I534-L573 HydrophobicContact CG2-CD2 3.91Å; L536-L573 HydrophobicContact CB-CD2 4.1Å; L536-L573 HydrophobicContact CD1-CD2 4.39Å; L536-L573 HydrophobicContact CD2-CD2 4.31Å; I550-L573 HydrophobicContact CD1-CG 4.27Å; I550-L573 HydrophobicContact CG2-CD2 4.39Å; H569-L573 WeakPolarHBondContact O-CB 3.18Å; H569-L573 PolarHBondContact O-N 3.43Å; L573-N575 VanDerWaalsContact C-N 3.33Å; L573-N575 PolarHBondContact O-N 3.1Å; L573-F576 HydrophobicContact CD1-CD1 4.36Å; L573-F576 PolarHBondContact O-N 3.37Å; L573-L577 HydrophobicContact CD1-CD1 4Å; L573-L577 HydrophobicContact CD1-CG 4.22Å; L573-L577 HydrophobicContact CG-CD1 4.1Å; L573-L577 WeakPolarHBondContact O-CG 3.08Å; L573-L577 PolarHBondContact O-N 3.43Å |
| 574 | R | 88.7 | Confident | 88.5 | Confident | 77 Ų | 77 | 49 Ų | 49 | 29% | 0.291 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -57.4 | -46.3 | 173.9 | -178.6 | -168.6 | 176.1 | -107.6 | 0.3 | 111.9 | I550 A570 V571 N572 G578 A579 C581 T583 | I550-R574 VanDerWaalsContact CD1-CA 3.5Å; I550-R574 HydrophobicContact CD1-CB 3.69Å; I550-R574 HydrophobicContact CD1-CG 4.34Å; A570-R574 PolarHBondContact O-N 3.28Å; A570-R574 VanDerWaalsContact O-N 3.09Å; V571-R574 WeakPolarHBondContact O-CB 3.32Å; V571-R574 PolarHBondContact O-N 3.08Å; N572-R574 VanDerWaalsContact C-N 3.35Å; N572-R574 PolarHBondContact O-N 3.38Å; R574-G578 PolarHBondContact O-N 2.94Å; R574-G578 VanDerWaalsContact O-N 3.15Å; R574-A579 HydrophobicContact CG-CB 4.28Å; R574-A579 PolarHBondContact NE-O 2.99Å; R574-A579 PolarHBondContact O-N 2.51Å; R574-A579 VanDerWaalsContact O-N 3.08Å; R574-C581 WeakPolarHBondContact CD-O 3.49Å; R574-C581 PolarHBondContact NE-O 2.83Å; R574-T583 HydrophobicContact CB-CG2 4.31Å |
| 575 | N | 86.1 | Confident | 88.9 | Confident | 54 Ų | 54 | 52.5 Ų | 52.5 | 29% | 0.289 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -67.9 | -38.1 | 179.4 | -70 | -26.9 | 0 | 0 | 0 | 111.9 | Y492 V571 N572 L573 G578 | Y492-N575 HydrophobicContact CE2-CB 3.81Å; Y492-N575 WeakPolarHBondContact OH-CB 3.43Å; Y492-N575 PolarHBondContact OH-ND2 3.37Å; V571-N575 PolarHBondContact O-N 3.08Å; V571-N575 PolarHBondContact O-ND2 2.7Å; N572-N575 PolarHBondContact O-N 2.8Å; L573-N575 VanDerWaalsContact C-N 3.33Å; L573-N575 PolarHBondContact O-N 3.1Å; N575-G578 PolarHBondContact O-N 3.08Å |
| 576 | F | 85.5 | Confident | 89 | Confident | 59 Ų | 59 | 51.9 Ų | 51.9 | 26% | 0.259 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.2 | -45.5 | 176.8 | 172.9 | -111.3 | 0 | 0 | 0 | 112.3 | Y492 F496 V500 N572 L573 G578 | Y492-F576 HydrophobicContact CD2-CB 3.93Å; Y492-F576 HydrophobicContact CD2-CD2 4.37Å; Y492-F576 HydrophobicContact CG-CB 4.02Å; Y492-F576 HydrophobicContact CG-CD2 4.39Å; F496-F576 HydrophobicContact CB-CD1 3.89Å; F496-F576 HydrophobicContact CB-CE1 3.75Å; F496-F576 HydrophobicContact CB-CG 4.41Å; F496-F576 HydrophobicContact CB-CZ 4.13Å; F496-F576 HydrophobicContact CD2-CB 4.22Å; F496-F576 HydrophobicContact CD2-CD1 4.24Å; F496-F576 HydrophobicContact CD2-CG 4.23Å; F496-F576 HydrophobicContact CG-CD1 4.31Å; V500-F576 HydrophobicContact CB-CE1 4.3Å; N572-F576 WeakPolarHBondContact O-CB 3.32Å; N572-F576 PolarHBondContact O-N 3Å; L573-F576 HydrophobicContact CD1-CD1 4.36Å; L573-F576 PolarHBondContact O-N 3.37Å; F576-G578 VanDerWaalsContact C-N 3.27Å; F576-G578 PolarHBondContact O-N 3.07Å |
| 577 | L | 86.2 | Confident | 89 | Confident | 22 Ų | 22 | 55.9 Ų | 55.9 | 12% | 0.115 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -75.9 | -14.2 | 178.2 | -63.9 | 172.6 | 0 | 0 | 0 | 113.4 | V500 L536 W548 I550 L573 A579 | V500-L577 WeakPolarHBondContact O-CD2 3.49Å; L536-L577 HydrophobicContact CD1-CD1 3.64Å; L536-L577 HydrophobicContact CD2-CD1 3.96Å; L536-L577 HydrophobicContact CG-CD1 4.49Å; W548-L577 HydrophobicContact CB-CD1 4.45Å; W548-L577 HydrophobicContact CD2-CB 4.33Å; W548-L577 HydrophobicContact CD2-CD1 4.43Å; W548-L577 HydrophobicContact CG-CD1 3.98Å; I550-L577 HydrophobicContact CD1-CD1 4.49Å; L573-L577 HydrophobicContact CD1-CD1 4Å; L573-L577 HydrophobicContact CD1-CG 4.22Å; L573-L577 HydrophobicContact CG-CD1 4.1Å; L573-L577 WeakPolarHBondContact O-CG 3.08Å; L573-L577 PolarHBondContact O-N 3.43Å; L577-A579 HydrophobicContact CB-CB 4.25Å; L577-A579 PolarHBondContact O-N 3.1Å |
| 578 | G | 81.3 | Confident | 88.8 | Confident | 57 Ų | 57 | 55.9 Ų | 55.9 | 59% | 0.588 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.5 | 20.5 | -169.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | R574 N575 F576 | R574-G578 PolarHBondContact O-N 2.94Å; R574-G578 VanDerWaalsContact O-N 3.15Å; N575-G578 PolarHBondContact O-N 3.08Å; F576-G578 VanDerWaalsContact C-N 3.27Å; F576-G578 PolarHBondContact O-N 3.07Å |
| 579 | A | 83.5 | Confident | 88.6 | Confident | 6 Ų | 6 | 56.5 Ų | 56.5 | 5% | 0.05 | 28% | 0.28 | C | S | . | . | trans | -66.9 | 135.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | W548 R574 L577 | W548-A579 HydrophobicContact CB-CB 4.08Å; W548-A579 HydrophobicContact CD2-CB 4.25Å; W548-A579 HydrophobicContact CE3-CB 3.69Å; W548-A579 HydrophobicContact CG-CB 4.45Å; W548-A579 HydrophobicContact CZ3-CB 4.49Å; R574-A579 HydrophobicContact CG-CB 4.28Å; R574-A579 PolarHBondContact NE-O 2.99Å; R574-A579 PolarHBondContact O-N 2.51Å; R574-A579 VanDerWaalsContact O-N 3.08Å; L577-A579 HydrophobicContact CB-CB 4.25Å; L577-A579 PolarHBondContact O-N 3.1Å | ||
| 580 | Q | 79.2 | Confident | 88.4 | Confident | 185 Ų | 185 | 62.2 Ų | 62.2 | 86% | 0.864 | 31% | 0.311 | S | S | * | . | trans | -83.5 | -14.6 | 177.9 | -63.2 | -172.3 | 9.5 | 0 | 0 | 113 | ||||
| 581 | C | 83.2 | Confident | 88.3 | Confident | 23 Ų | 23 | 63.4 Ų | 63.4 | 16% | 0.155 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -59.5 | 163.5 | 179.5 | 74.1 | 0 | 0 | 0 | 0 | 113 | W548 R574 | W548-C581 WeakPolarHBondContact O-CB 3.44Å; W548-C581 PolarHBondContact O-SG 3.34Å; R574-C581 WeakPolarHBondContact CD-O 3.49Å; R574-C581 PolarHBondContact NE-O 2.83Å |
| 582 | R | 88.8 | Confident | 88.2 | Confident | 185 Ų | 185 | 62.3 Ų | 62.3 | 70% | 0.698 | 31% | 0.312 | S | S | * | . | P | Polyproline II helix | trans | -88.1 | 152.8 | 168.5 | 62.9 | -178 | 179.1 | -178.8 | 0.5 | 110.2 | I584 | R582-I584 HydrophobicContact CG-CG1 3.99Š|
| 583 | T | 92.1 | Very high | 88 | Confident | 41 Ų | 41 | 67.1 Ų | 67.1 | 25% | 0.252 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 129 | 165.5 | 50.4 | 0 | 0 | 0 | 0 | 109.2 | I550 A570 V571 R574 | I550-T583 HydrophobicContact CB-CG2 4.33Å; I550-T583 HydrophobicContact CG2-CG2 4.01Å; I550-T583 WeakPolarHBondContact O-CA 3.47Å; A570-T583 HydrophobicContact CB-CG2 3.93Å; A570-T583 WeakPolarHBondContact O-CG2 3.35Å; V571-T583 HydrophobicContact CG2-CG2 4.43Å; R574-T583 HydrophobicContact CB-CG2 4.31Å |
| 584 | I | 93.4 | Very high | 87.9 | Confident | 28 Ų | 28 | 73 Ų | 73 | 14% | 0.144 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 131.1 | -175.3 | -58.2 | 170.6 | 0 | 0 | 0 | 108.7 | I550 Y551 Y552 R582 E586 | I550-I584 PolarHBondContact O-N 2.71Å; Y551-I584 CarbonylContact C-O 3.53Å; Y551-I584 VanDerWaalsContact CA-O 3.31Å; Y551-I584 WeakPolarHBondContact CA-O 3.48Å; Y551-I584 HydrophobicContact CD1-CB 3.63Å; Y551-I584 HydrophobicContact CD1-CD1 4.09Å; Y551-I584 HydrophobicContact CD1-CG1 4.42Å; Y551-I584 HydrophobicContact CD1-CG2 3.75Å; Y551-I584 HydrophobicContact CE1-CB 3.99Å; Y551-I584 HydrophobicContact CE1-CD1 3.55Å; Y551-I584 HydrophobicContact CE1-CG1 4.35Å; Y551-I584 HydrophobicContact CE1-CG2 3.98Å; Y551-I584 HydrophobicContact CG-CB 4.35Å; Y552-I584 WeakPolarHBondContact CD1-O 3.29Å; Y552-I584 PolarHBondContact N-O 2.82Å; R582-I584 HydrophobicContact CG-CG1 3.99Å; I584-E586 VanDerWaalsContact CG2-OE1 3.3Å; I584-E586 WeakPolarHBondContact CG2-OE1 3.49Å |
| 585 | R | 95.5 | Very high | 88.1 | Confident | 119 Ų | 119 | 69.3 Ų | 69.3 | 45% | 0.449 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 125.1 | 179.1 | -176.4 | -179.8 | 177.5 | 116 | -5.6 | 108.8 | Y552 I554 E587 | Y552-R585 HydrophobicContact CE1-CB 3.77Å; Y552-R585 HydrophobicContact CE1-CG 4.35Å; Y552-R585 HydrophobicContact CE2-CB 4.06Å; Y552-R585 HydrophobicContact CE2-CG 3.69Å; Y552-R585 VanDerWaalsContact CZ-CB 3.44Å; Y552-R585 VanDerWaalsContact OH-CB 3.31Å; Y552-R585 WeakPolarHBondContact OH-CB 3.19Å; Y552-R585 WeakPolarHBondContact OH-CD 3.03Å; Y552-R585 WeakPolarHBondContact OH-CG 3.37Å; I554-R585 HydrophobicContact CD1-CG 4.4Å; I554-R585 VanDerWaalsContact CD1-CZ 3.44Å; R585-E587 IonicContact CZ-OE1 3.93Å; R585-E587 IonicContact NE-OE1 3.53Å; R585-E587 PolarHBondContact NE-OE1 3.36Å; R585-E587 IonicContact NH2-OE1 3.72Å; R585-E587 PolarHBondContact NH2-OE1 2.76Å |
| 586 | E | 93.9 | Very high | 88.2 | Confident | 5 Ų | 5 | 70 Ų | 70 | 2% | 0.023 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 130.4 | 174.6 | -59.5 | -64.3 | 163.2 | 0 | 0 | 108.4 | Y551 Y552 W553 I554 I584 E591 S592 F595 | Y551-E586 HydrophobicContact CD1-CG 4Å; Y552-E586 PolarHBondContact O-N 2.99Å; W553-E586 CarbonylContact C-O 3.57Å; W553-E586 VanDerWaalsContact CA-O 3.29Å; W553-E586 WeakPolarHBondContact CA-O 3.34Å; W553-E586 HydrophobicContact CB-CB 4.46Å; I554-E586 PolarHBondContact N-O 2.87Å; I584-E586 VanDerWaalsContact CG2-OE1 3.3Å; I584-E586 WeakPolarHBondContact CG2-OE1 3.49Å; E586-E591 VanDerWaalsContact OE2-CA 3.28Å; E586-E591 WeakPolarHBondContact OE2-CA 3.38Å; E586-S592 WeakPolarHBondContact OE1-CB 3.32Å; E586-S592 PolarHBondContact OE1-OG 3.41Å; E586-S592 PolarHBondContact OE2-N 2.79Å; E586-F595 HydrophobicContact CG-CB 4.13Å; E586-F595 HydrophobicContact CG-CD1 4.25Å; E586-F595 HydrophobicContact CG-CD2 3.87Å; E586-F595 HydrophobicContact CG-CE2 4.3Å; E586-F595 HydrophobicContact CG-CG 3.83Å |
| 587 | E | 92 | Very high | 88.3 | Confident | 84 Ų | 84 | 73.8 Ų | 73.8 | 39% | 0.393 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 144.8 | 176.6 | -64 | -164.7 | 173.4 | 0 | 0 | 109.8 | R585 N589 D590 E591 | R585-E587 IonicContact CZ-OE1 3.93Å; R585-E587 IonicContact NE-OE1 3.53Å; R585-E587 PolarHBondContact NE-OE1 3.36Å; R585-E587 IonicContact NH2-OE1 3.72Å; R585-E587 PolarHBondContact NH2-OE1 2.76Å; E587-N589 PolarHBondContact O-N 3.09Å; E587-D590 CarbonylContact O-C 3.58Å; E587-D590 PolarHBondContact O-N 3.18Å; E587-E591 PolarHBondContact O-N 3.03Å |
| 588 | M | 87.3 | Confident | 88.4 | Confident | 27 Ų | 27 | 74 Ų | 74 | 13% | 0.133 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | 122.8 | 177.8 | -172.1 | 179 | 104.1 | 0 | 0 | 111.8 | E529 W553 I554 E556 D590 E591 Y605 | E529-M588 HydrophobicContact CB-CE 4.48Å; E529-M588 HydrophobicContact CB-SD 3.88Å; W553-M588 HydrophobicContact CH2-CB 4.24Å; W553-M588 HydrophobicContact CH2-CG 4.28Å; W553-M588 HydrophobicContact CH2-SD 4.21Å; W553-M588 HydrophobicContact CZ2-CB 3.62Å; W553-M588 HydrophobicContact CZ2-CG 3.69Å; W553-M588 HydrophobicContact CZ2-SD 4.2Å; I554-M588 PolarHBondContact O-N 2.8Å; E556-M588 HydrophobicContact CB-CE 3.38Å; E556-M588 HydrophobicContact CB-SD 3.98Å; E556-M588 HydrophobicContact CG-CE 4.3Å; E556-M588 WeakPolarHBondContact OE2-CE 3.08Å; M588-D590 VanDerWaalsContact C-N 3.34Å; M588-E591 VanDerWaalsContact CA-OE1 3.27Å; M588-E591 WeakPolarHBondContact CA-OE1 3.48Å; M588-Y605 HydrophobicContact CG-CD1 4.07Å; M588-Y605 HydrophobicContact CG-CE1 3.96Å; M588-Y605 HydrophobicContact SD-CD1 4.37Å |
| 589 | N | 86.3 | Confident | 88.8 | Confident | 109 Ų | 109 | 72.2 Ų | 72.2 | 58% | 0.583 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75 | 5.3 | -175.1 | -45.2 | -71.3 | 0 | 0 | 0 | 116.6 | E587 E591 | E587-N589 PolarHBondContact O-N 3.09Å; N589-E591 WeakPolarHBondContact CA-OE2 3.25Å; N589-E591 PolarHBondContact N-OE1 3.39Å; N589-E591 PolarHBondContact N-OE2 3.01Å |
| 590 | D | 88.3 | Confident | 88.5 | Confident | 134 Ų | 134 | 80.3 Ų | 80.3 | 72% | 0.717 | 40% | 0.397 | S | S | * | . | trans | -130.2 | 33.6 | 173.5 | -157.5 | 27 | 0 | 0 | 0 | 110.3 | E587 M588 | E587-D590 CarbonylContact O-C 3.58Å; E587-D590 PolarHBondContact O-N 3.18Å; M588-D590 VanDerWaalsContact C-N 3.34Å | ||
| 591 | E | 90.3 | Very high | 88.6 | Confident | 26 Ų | 26 | 78 Ų | 78 | 12% | 0.121 | 39% | 0.391 | C | S | . | . | trans | -70.6 | 138.6 | -179.8 | -65.6 | 86.9 | 174.8 | 0 | 0 | 112.6 | W553 E586 E587 M588 N589 F595 L596 Y605 | W553-E591 PolarHBondContact NE1-OE1 3.43Å; E586-E591 VanDerWaalsContact OE2-CA 3.28Å; E586-E591 WeakPolarHBondContact OE2-CA 3.38Å; E587-E591 PolarHBondContact O-N 3.03Å; M588-E591 VanDerWaalsContact CA-OE1 3.27Å; M588-E591 WeakPolarHBondContact CA-OE1 3.48Å; N589-E591 WeakPolarHBondContact CA-OE2 3.25Å; N589-E591 PolarHBondContact N-OE1 3.39Å; N589-E591 PolarHBondContact N-OE2 3.01Å; E591-F595 HydrophobicContact CB-CD1 4Å; E591-F595 HydrophobicContact CG-CD1 3.91Å; E591-F595 HydrophobicContact CG-CE1 4.05Å; E591-L596 HydrophobicContact CB-CD2 4.04Å; E591-L596 HydrophobicContact CB-CG 4.23Å; E591-Y605 VanDerWaalsContact CD-OH 3.23Å; E591-Y605 PolarHBondContact OE1-OH 3.22Å; E591-Y605 PolarHBondContact OE2-OH 2.79Å | ||
| 592 | S | 89.9 | Confident | 88.3 | Confident | 38 Ų | 38 | 84.2 Ų | 84.2 | 27% | 0.266 | 42% | 0.422 | S | S | . | . | trans | -69.7 | 147.2 | 174.9 | 68.2 | 0 | 0 | 0 | 0 | 112.8 | E586 E594 F595 L596 | E586-S592 WeakPolarHBondContact OE1-CB 3.32Å; E586-S592 PolarHBondContact OE1-OG 3.41Å; E586-S592 PolarHBondContact OE2-N 2.79Å; S592-E594 PolarHBondContact O-N 3.12Å; S592-F595 WeakPolarHBondContact O-CA 2.91Å; S592-F595 WeakPolarHBondContact O-CB 3.41Å; S592-F595 PolarHBondContact O-N 2.86Å; S592-F595 WeakPolarHBondContact OG-CB 3.33Å; S592-F595 PolarHBondContact OG-N 3.08Å; S592-L596 PolarHBondContact O-N 2.89Å | ||
| 593 | D | 86.2 | Confident | 88.3 | Confident | 130 Ų | 130 | 76.5 Ų | 76.5 | 70% | 0.695 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -55.9 | -38 | 176.4 | -64 | -32 | 0 | 0 | 0 | 111.6 | F595 L596 D597 | D593-F595 VanDerWaalsContact C-N 3.26Å; D593-F595 PolarHBondContact O-N 2.62Å; D593-L596 PolarHBondContact O-N 3.37Å; D593-D597 PolarHBondContact O-N 2.93Å |
| 594 | E | 88.6 | Confident | 87.9 | Confident | 124 Ų | 124 | 78.2 Ų | 78.2 | 58% | 0.579 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -61.9 | -31.3 | 175.9 | -64.5 | 177 | -177.4 | 0 | 0 | 113 | S592 | S592-E594 PolarHBondContact O-N 3.12Å |
| 595 | F | 92 | Very high | 87.7 | Confident | 0 Ų | 0 | 81 Ų | 81 | 0% | 0 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -79.1 | -38.6 | 176.2 | 177.7 | -101.2 | 0 | 0 | 0 | 111.8 | F527 V535 Y551 W553 E586 E591 S592 D593 D597 L598 F599 I603 | F527-F595 HydrophobicContact CE2-CE1 4.25Å; F527-F595 HydrophobicContact CE2-CZ 4Å; F527-F595 HydrophobicContact CZ-CZ 4.13Å; V535-F595 HydrophobicContact CB-CE2 4.09Å; V535-F595 HydrophobicContact CG1-CE2 4.33Å; V535-F595 HydrophobicContact CG2-CE2 3.84Å; V535-F595 HydrophobicContact CG2-CZ 4.18Å; Y551-F595 HydrophobicContact CD1-CB 4.22Å; Y551-F595 AromaticContact CD1-CD2 3.73Å; Y551-F595 HydrophobicContact CD1-CD2 3.73Å; Y551-F595 HydrophobicContact CD1-CG 4.41Å; Y551-F595 HydrophobicContact CD2-CD2 4.27Å; Y551-F595 HydrophobicContact CE1-CB 4.2Å; Y551-F595 HydrophobicContact CE1-CD2 4.37Å; Y551-F595 AromaticContact CG-CD2 3.69Å; Y551-F595 HydrophobicContact CG-CD2 3.69Å; Y551-F595 HydrophobicContact CG-CE2 4.24Å; W553-F595 HydrophobicContact CB-CZ 4.19Å; W553-F595 AromaticContact CD1-CE1 3.87Å; W553-F595 HydrophobicContact CG-CZ 4.4Å; E586-F595 HydrophobicContact CG-CB 4.13Å; E586-F595 HydrophobicContact CG-CD1 4.25Å; E586-F595 HydrophobicContact CG-CD2 3.87Å; E586-F595 HydrophobicContact CG-CE2 4.3Å; E586-F595 HydrophobicContact CG-CG 3.83Å; E591-F595 HydrophobicContact CB-CD1 4Å; E591-F595 HydrophobicContact CG-CD1 3.91Å; E591-F595 HydrophobicContact CG-CE1 4.05Å; S592-F595 WeakPolarHBondContact O-CA 2.91Å; S592-F595 WeakPolarHBondContact O-CB 3.41Å; S592-F595 PolarHBondContact O-N 2.86Å; S592-F595 WeakPolarHBondContact OG-CB 3.33Å; S592-F595 PolarHBondContact OG-N 3.08Å; D593-F595 VanDerWaalsContact C-N 3.26Å; D593-F595 PolarHBondContact O-N 2.62Å; F595-D597 VanDerWaalsContact C-N 3.33Å; F595-L598 HydrophobicContact CD2-CD1 3.91Å; F595-L598 HydrophobicContact CE2-CD1 4.49Å; F595-L598 VanDerWaalsContact O-CB 3.32Å; F595-L598 WeakPolarHBondContact O-CB 3.18Å; F595-L598 PolarHBondContact O-N 3.17Å; F595-F599 HydrophobicContact CD1-CE2 4.34Å; F595-F599 AromaticContact CE1-CE2 3.91Å; F595-F599 HydrophobicContact CE1-CE2 3.91Å; F595-F599 HydrophobicContact CE2-CE2 4.17Å; F595-F599 HydrophobicContact CE2-CZ 4.44Å; F595-F599 AromaticContact CZ-CE2 3.81Å; F595-F599 HydrophobicContact CZ-CE2 3.81Å; F595-F599 HydrophobicContact CZ-CZ 4.12Å; F595-F599 WeakPolarHBondContact O-CD2 3.5Å; F595-I603 HydrophobicContact CD1-CD1 4.02Å; F595-I603 HydrophobicContact CE1-CD1 3.55Å |
| 596 | L | 88.1 | Confident | 87.1 | Confident | 67 Ų | 67 | 77.6 Ų | 77.6 | 35% | 0.351 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63.7 | -39.6 | 176.9 | -64.7 | 175.1 | 0 | 0 | 0 | 111.5 | E591 S592 D593 L598 F599 I603 | E591-L596 HydrophobicContact CB-CD2 4.04Å; E591-L596 HydrophobicContact CB-CG 4.23Å; S592-L596 PolarHBondContact O-N 2.89Å; D593-L596 PolarHBondContact O-N 3.37Å; L596-L598 PolarHBondContact O-N 2.66Å; L596-F599 PolarHBondContact O-N 3.21Å; L596-I603 HydrophobicContact CD2-CD1 3.62Å; L596-I603 HydrophobicContact CD2-CG1 4.22Å |
| 597 | D | 87.9 | Confident | 86.2 | Confident | 139 Ų | 139 | 82.9 Ų | 82.9 | 74% | 0.743 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -11.9 | 176.3 | -78.2 | -12.5 | 0 | 0 | 0 | 114.2 | D593 F595 F599 | D593-D597 PolarHBondContact O-N 2.93Å; F595-D597 VanDerWaalsContact C-N 3.33Å; D597-F599 VanDerWaalsContact C-N 3.26Å; D597-F599 PolarHBondContact O-N 2.98Å |
| 598 | L | 88.6 | Confident | 85.5 | Confident | 26 Ų | 26 | 80.5 Ų | 80.5 | 14% | 0.136 | 44% | 0.435 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -18.6 | 177.1 | -64.4 | 173.3 | 0 | 0 | 0 | 113.3 | L506 V535 K537 Y551 F595 L596 | L506-L598 HydrophobicContact CD1-CB 4.41Å; V535-L598 HydrophobicContact CG1-CD1 4.21Å; K537-L598 HydrophobicContact CB-CD2 3.99Å; K537-L598 HydrophobicContact CD-CD2 4.09Å; K537-L598 HydrophobicContact CG-CD2 3.86Å; Y551-L598 HydrophobicContact CD2-CD1 3.83Å; Y551-L598 HydrophobicContact CE2-CD1 3.65Å; F595-L598 HydrophobicContact CD2-CD1 3.91Å; F595-L598 HydrophobicContact CE2-CD1 4.49Å; F595-L598 VanDerWaalsContact O-CB 3.32Å; F595-L598 WeakPolarHBondContact O-CB 3.18Å; F595-L598 PolarHBondContact O-N 3.17Å; L596-L598 PolarHBondContact O-N 2.66Å |
| 599 | F | 89.2 | Confident | 84.9 | Confident | 21 Ų | 21 | 82.2 Ų | 82.2 | 9% | 0.092 | 45% | 0.453 | C | S | . | . | S | Bend | trans | -111.9 | 131.5 | -175.3 | -55.3 | -81.1 | 0 | 0 | 0 | 109.9 | L506 I508 F527 V535 F595 L596 D597 D601 I603 | L506-F599 HydrophobicContact CD2-CD1 4.18Å; L506-F599 HydrophobicContact CD2-CE1 3.88Å; I508-F599 HydrophobicContact CD1-CE1 3.7Å; I508-F599 HydrophobicContact CD1-CZ 4.19Å; F527-F599 HydrophobicContact CE2-CE2 4.33Å; F527-F599 AromaticContact CE2-CZ 3.96Å; F527-F599 HydrophobicContact CE2-CZ 3.96Å; F527-F599 HydrophobicContact CZ-CE1 4.31Å; F527-F599 AromaticContact CZ-CZ 3.76Å; F527-F599 HydrophobicContact CZ-CZ 3.76Å; V535-F599 HydrophobicContact CG1-CZ 4.46Å; F595-F599 HydrophobicContact CD1-CE2 4.34Å; F595-F599 AromaticContact CE1-CE2 3.91Å; F595-F599 HydrophobicContact CE1-CE2 3.91Å; F595-F599 HydrophobicContact CE2-CE2 4.17Å; F595-F599 HydrophobicContact CE2-CZ 4.44Å; F595-F599 AromaticContact CZ-CE2 3.81Å; F595-F599 HydrophobicContact CZ-CE2 3.81Å; F595-F599 HydrophobicContact CZ-CZ 4.12Å; F595-F599 WeakPolarHBondContact O-CD2 3.5Å; L596-F599 PolarHBondContact O-N 3.21Å; D597-F599 VanDerWaalsContact C-N 3.26Å; D597-F599 PolarHBondContact O-N 2.98Å; F599-D601 WeakPolarHBondContact CB-O 3.19Å; F599-D601 PolarHBondContact O-N 3.23Å; F599-I603 HydrophobicContact CD2-CD1 3.98Å; F599-I603 HydrophobicContact CD2-CG1 3.94Å; F599-I603 HydrophobicContact CE2-CD1 3.96Å; F599-I603 HydrophobicContact CE2-CG1 4.31Å; F599-I603 HydrophobicContact CG-CG1 4.44Å |
| 600 | D | 78.6 | Confident | 84.3 | Confident | 175 Ų | 175 | 82.9 Ų | 82.9 | 94% | 0.936 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -67.6 | -24.2 | 179.1 | -64.6 | -37.3 | 0 | 0 | 0 | 112.4 | ||
| 601 | D | 79.4 | Confident | 83.7 | Confident | 138 Ų | 138 | 77 Ų | 77 | 74% | 0.738 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -118.5 | 153.9 | 177.7 | -68.9 | -43.8 | 0 | 0 | 0 | 110.5 | F599 | F599-D601 WeakPolarHBondContact CB-O 3.19Å; F599-D601 PolarHBondContact O-N 3.23Å |
| 602 | D | 78.6 | Confident | 82.7 | Confident | 153 Ų | 153 | 78.8 Ų | 78.8 | 82% | 0.818 | 43% | 0.432 | S | S | * | . | trans | -55.8 | 140.7 | 173.9 | -70.4 | -32.5 | 0 | 0 | 0 | 111.9 | V604 | D602-V604 PolarHBondContact O-N 3.5Š| ||
| 603 | I | 87.3 | Confident | 81.6 | Confident | 22 Ų | 22 | 78 Ų | 78 | 11% | 0.113 | 43% | 0.427 | C | S | . | . | trans | -62.6 | 131.3 | 178.3 | -63.9 | 178.4 | 0 | 0 | 0 | 110.8 | G525 F527 F595 L596 F599 Y605 | G525-I603 CarbonylContact O-C 3.46Å; G525-I603 WeakPolarHBondContact O-CA 3.28Å; F527-I603 HydrophobicContact CD2-CD1 4.44Å; F527-I603 HydrophobicContact CD2-CG2 3.56Å; F527-I603 HydrophobicContact CE2-CD1 4.06Å; F527-I603 HydrophobicContact CE2-CG1 4.46Å; F527-I603 HydrophobicContact CE2-CG2 4.11Å; F595-I603 HydrophobicContact CD1-CD1 4.02Å; F595-I603 HydrophobicContact CE1-CD1 3.55Å; L596-I603 HydrophobicContact CD2-CD1 3.62Å; L596-I603 HydrophobicContact CD2-CG1 4.22Å; F599-I603 HydrophobicContact CD2-CD1 3.98Å; F599-I603 HydrophobicContact CD2-CG1 3.94Å; F599-I603 HydrophobicContact CE2-CD1 3.96Å; F599-I603 HydrophobicContact CE2-CG1 4.31Å; F599-I603 HydrophobicContact CG-CG1 4.44Å; I603-Y605 HydrophobicContact CG2-CD1 4.14Å; I603-Y605 HydrophobicContact CG2-CE1 3.6Å | ||
| 604 | V | 85 | Confident | 80.3 | Confident | 77 Ų | 77 | 73 Ų | 73 | 47% | 0.467 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 118.2 | 177.8 | -178 | 0 | 0 | 0 | 0 | 110.6 | G525 K526 F527 D602 | G525-V604 PolarHBondContact O-N 2.91Å; K526-V604 WeakPolarHBondContact CA-O 3.44Å; K526-V604 HydrophobicContact CG-CB 4.3Å; F527-V604 PolarHBondContact N-O 2.8Å; D602-V604 PolarHBondContact O-N 3.5Å |
| 605 | Y | 87.8 | Confident | 78.6 | Confident | 87 Ų | 87 | 73.2 Ų | 73.2 | 34% | 0.341 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 129.1 | 175 | -52.4 | -61.5 | 0 | 0 | 0 | 112 | F527 W553 M588 E591 I603 | F527-Y605 CarbonylContact O-C 3.56Å; F527-Y605 WeakPolarHBondContact O-CA 3.18Å; W553-Y605 HydrophobicContact CH2-CD1 4.48Å; W553-Y605 AromaticContact CZ2-CD1 3.89Å; W553-Y605 HydrophobicContact CZ2-CD1 3.89Å; W553-Y605 AromaticContact CZ2-CE1 3.72Å; W553-Y605 HydrophobicContact CZ2-CE1 3.72Å; M588-Y605 HydrophobicContact CG-CD1 4.07Å; M588-Y605 HydrophobicContact CG-CE1 3.96Å; M588-Y605 HydrophobicContact SD-CD1 4.37Å; E591-Y605 VanDerWaalsContact CD-OH 3.23Å; E591-Y605 PolarHBondContact OE1-OH 3.22Å; E591-Y605 PolarHBondContact OE2-OH 2.79Å; I603-Y605 HydrophobicContact CG2-CD1 4.14Å; I603-Y605 HydrophobicContact CG2-CE1 3.6Å |
| 606 | I | 82.8 | Confident | 76.5 | Confident | 47 Ų | 47 | 82 Ų | 82 | 24% | 0.241 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 127.6 | 178 | -54.6 | 173.3 | 0 | 0 | 0 | 109.2 | M523 K526 F527 Y528 E529 | M523-I606 HydrophobicContact CE-CD1 4.41Å; K526-I606 HydrophobicContact CB-CD1 4.11Å; F527-I606 PolarHBondContact O-N 3.11Å; Y528-I606 WeakPolarHBondContact CA-O 3.35Å; Y528-I606 HydrophobicContact CD1-CB 3.84Å; Y528-I606 HydrophobicContact CD1-CG2 3.68Å; Y528-I606 HydrophobicContact CD2-CD1 4.4Å; Y528-I606 HydrophobicContact CE1-CB 3.92Å; Y528-I606 HydrophobicContact CE1-CD1 4.37Å; Y528-I606 HydrophobicContact CE1-CG2 3.37Å; Y528-I606 HydrophobicContact CE2-CD1 3.91Å; Y528-I606 HydrophobicContact CG-CB 4.17Å; Y528-I606 HydrophobicContact CG-CG2 4.49Å; E529-I606 PolarHBondContact N-O 3.13Å |
| 607 | T | 75.9 | Confident | 74.4 | Confident | 117 Ų | 117 | 84.3 Ų | 84.3 | 72% | 0.718 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -69.7 | 140.8 | 178.6 | 55.9 | 0 | 0 | 0 | 0 | 112 | E529 | E529-T607 VanDerWaalsContact OE1-CA 3.22Å; E529-T607 WeakPolarHBondContact OE1-CA 3.07Å; E529-T607 WeakPolarHBondContact OE1-CB 3.4Å |
| 608 | G | 76.9 | Confident | 72.2 | Confident | 34 Ų | 34 | 84.1 Ų | 84.1 | 35% | 0.351 | 46% | 0.46 | S | S | . | . | S | Bend | trans | 95 | -169.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | E529 G530 | E529-G608 PolarHBondContact OE1-N 3.42Å; G530-G608 PolarHBondContact N-O 2.88Å |
| 609 | A | 74.8 | Confident | 70.2 | Confident | 62 Ų | 62 | 91.3 Ų | 91.3 | 51% | 0.512 | 49% | 0.493 | S | S | . | . | trans | -122.3 | 135.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 610 | R | 74.7 | Confident | 68.2 | Low | 123 Ų | 123 | 93.8 Ų | 93.8 | 46% | 0.464 | 52% | 0.524 | S | S | . | . | S | Bend | trans | -89.7 | -38.2 | 174.3 | -179.1 | 175.1 | 169.1 | -124.4 | -4.8 | 110.9 | E510 Y528 D531 | E510-R610 IonicContact OE1-CZ 3.79Å; E510-R610 IonicContact OE1-NH1 3.19Å; E510-R610 PolarHBondContact OE1-NH1 3.4Å; E510-R610 IonicContact OE1-NH2 3.32Å; E510-R610 IonicContact OE2-CZ 3.2Å; E510-R610 IonicContact OE2-NH1 2.81Å; E510-R610 PolarHBondContact OE2-NH1 2.93Å; Y528-R610 HydrophobicContact CD1-CB 4.06Å; Y528-R610 HydrophobicContact CD2-CB 3.83Å; Y528-R610 HydrophobicContact CE1-CB 3.96Å; Y528-R610 HydrophobicContact CE2-CB 3.72Å; Y528-R610 HydrophobicContact CE2-CG 4.2Å; Y528-R610 HydrophobicContact CG-CB 3.98Å; D531-R610 WeakPolarHBondContact OD2-CA 3.47Å; D531-R610 WeakPolarHBondContact OD2-CB 3.47Å; D531-R610 PolarHBondContact OD2-N 3.33Å |
| 611 | T | 74.9 | Confident | 66.7 | Low | 12 Ų | 12 | 92.6 Ų | 92.6 | 7% | 0.074 | 52% | 0.517 | C | S | . | . | S | Bend | trans | -98.1 | 152.3 | -176.5 | 70.5 | 0 | 0 | 0 | 0 | 112.5 | E510 I511 E512 D531 K562 | E510-T611 HydrophobicContact CB-CG2 4.42Å; E510-T611 HydrophobicContact CG-CG2 4.03Å; I511-T611 WeakPolarHBondContact O-CB 3.43Å; I511-T611 PolarHBondContact O-OG1 2.86Å; E512-T611 HydrophobicContact CB-CG2 4.07Å; E512-T611 HydrophobicContact CG-CG2 4.37Å; D531-T611 PolarHBondContact OD1-OG1 2.95Å; D531-T611 VanDerWaalsContact OD1-OG1 3.09Å; D531-T611 PolarHBondContact OD2-N 3.43Å; D531-T611 VanDerWaalsContact OD2-N 3.12Å; K562-T611 PolarHBondContact NZ-O 3Å; K562-T611 PolarHBondContact NZ-OG1 2.88Å |
| 612 | S | 70.4 | Confident | 65.2 | Low | 62 Ų | 62 | 90.7 Ų | 90.7 | 43% | 0.434 | 52% | 0.52 | S | S | . | . | P | Polyproline II helix | trans | -83.9 | 143.5 | 174.8 | 48.1 | 0 | 0 | 0 | 0 | 111.9 | N513 | N513-S612 PolarHBondContact N-O 2.96Å; N513-S612 VanDerWaalsContact N-O 3.14Å; N513-S612 PolarHBondContact ND2-OG 3.41Å; N513-S612 PolarHBondContact OD1-O 2.77Å; N513-S612 PolarHBondContact OD1-OG 3.47Å |
| 613 | S | 66.2 | Low | 64.2 | Low | 23 Ų | 23 | 88 Ų | 88 | 16% | 0.161 | 50% | 0.499 | C | S | . | . | P | Polyproline II helix | trans | -65 | 144 | 166.4 | 90.4 | 0 | 0 | 0 | 0 | 108.9 | N513 D561 F615 | N513-S613 PolarHBondContact OD1-O 3.12Å; D561-S613 WeakPolarHBondContact OD2-CB 3.4Å; S613-F615 PolarHBondContact O-N 3.48Å; S613-F615 VanDerWaalsContact O-N 3.15Å; S613-F615 PolarHBondContact OG-N 3.28Å; S613-F615 PolarHBondContact OG-O 2.96Å |
| 614 | G | 58.2 | Low | 63.4 | Low | 23 Ų | 23 | 89.6 Ų | 89.6 | 24% | 0.237 | 52% | 0.52 | C | S | . | . | S | Bend | trans | -69.9 | -7.7 | 175 | 0 | 0 | 0 | 0 | 0 | 113.3 | F514 | F514-G614 VanDerWaalsContact CE2-O 3.23Å; F514-G614 WeakPolarHBondContact CE2-O 3.47Å; F514-G614 VanDerWaalsContact CZ-CA 3.47Å |
| 615 | F | 52.4 | Low | 63.4 | Low | 129 Ų | 129 | 88.4 Ų | 88.4 | 57% | 0.566 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -81.3 | 140.7 | 168.5 | -71.7 | -61.5 | 0 | 0 | 0 | 111.5 | F514 D561 S613 T617 | F514-F615 HydrophobicContact CE1-CD2 4.06Å; F514-F615 AromaticContact CE1-CE2 3.93Å; F514-F615 HydrophobicContact CE1-CE2 3.93Å; F514-F615 HydrophobicContact CE1-CZ 4.29Å; F514-F615 HydrophobicContact CZ-CD1 4.11Å; F514-F615 HydrophobicContact CZ-CD2 4.02Å; F514-F615 HydrophobicContact CZ-CE1 4.13Å; F514-F615 HydrophobicContact CZ-CE2 4.05Å; F514-F615 HydrophobicContact CZ-CG 4.05Å; F514-F615 HydrophobicContact CZ-CZ 4.09Å; D561-F615 HydrophobicContact CB-CD2 3.62Å; D561-F615 HydrophobicContact CB-CE2 3.41Å; D561-F615 VanDerWaalsContact CB-CE2 3.41Å; S613-F615 PolarHBondContact O-N 3.48Å; S613-F615 VanDerWaalsContact O-N 3.15Å; S613-F615 PolarHBondContact OG-N 3.28Å; S613-F615 PolarHBondContact OG-O 2.96Å; F615-T617 PolarHBondContact O-N 2.84Å |
| 616 | Y | 48.2 | Very low | 63.3 | Low | 185 Ų | 185 | 86.5 Ų | 86.5 | 73% | 0.725 | 51% | 0.507 | S | S | * | . | trans | -67.4 | 100.5 | 171.1 | -62.6 | -85 | 0 | 0 | 0 | 109.2 | T618 | Y616-T618 PolarHBondContact O-N 3.04Š| ||
| 617 | T | 43.6 | Very low | 63.7 | Low | 115 Ų | 115 | 84.3 Ų | 84.3 | 71% | 0.706 | 50% | 0.496 | S | S | * | . | trans | -70 | 106.6 | 167.2 | 39.2 | 0 | 0 | 0 | 0 | 108.4 | F615 E619 | F615-T617 PolarHBondContact O-N 2.84Å; T617-E619 VanDerWaalsContact C-N 3.32Å; T617-E619 PolarHBondContact O-N 2.79Å | ||
| 618 | T | 42.5 | Very low | 64.4 | Low | 135 Ų | 135 | 79 Ų | 79 | 83% | 0.828 | 46% | 0.463 | S | S | * | . | trans | -73.4 | 90.9 | 168.2 | 49.9 | 0 | 0 | 0 | 0 | 107.9 | Y616 G620 | Y616-T618 PolarHBondContact O-N 3.04Å; T618-G620 PolarHBondContact O-N 3.21Å; T618-G620 VanDerWaalsContact O-N 3.08Å | ||
| 619 | E | 46.9 | Very low | 65 | Low | 178 Ų | 178 | 78 Ų | 78 | 83% | 0.832 | 45% | 0.449 | S | S | * | . | trans | -57.2 | 114.9 | 157.5 | -71.2 | -176.3 | 174 | 0 | 0 | 106.4 | T617 L621 | T617-E619 VanDerWaalsContact C-N 3.32Å; T617-E619 PolarHBondContact O-N 2.79Å; E619-L621 VanDerWaalsContact C-N 3.32Å; E619-L621 PolarHBondContact O-N 3.08Å | ||
| 620 | G | 46.5 | Very low | 65.7 | Low | 72 Ų | 72 | 75 Ų | 75 | 74% | 0.742 | 43% | 0.425 | S | S | * | . | trans | -62.5 | 99.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 107.1 | T618 A622 | T618-G620 PolarHBondContact O-N 3.21Å; T618-G620 VanDerWaalsContact O-N 3.08Å; G620-A622 PolarHBondContact O-N 3.38Å | ||
| 621 | L | 48.3 | Very low | 66.1 | Low | 151 Ų | 151 | 70.6 Ų | 70.6 | 79% | 0.791 | 41% | 0.413 | S | S | * | . | trans | -49.5 | 113 | 175.8 | -152.3 | 88 | 0 | 0 | 0 | 106.5 | E619 R623 | E619-L621 VanDerWaalsContact C-N 3.32Å; E619-L621 PolarHBondContact O-N 3.08Å; L621-R623 VanDerWaalsContact C-N 3.26Å; L621-R623 PolarHBondContact O-N 2.85Å | ||
| 622 | A | 47.4 | Very low | 66 | Low | 98 Ų | 98 | 73.3 Ų | 73.3 | 81% | 0.81 | 43% | 0.432 | S | S | * | . | trans | -60.4 | 94.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 107.3 | G620 G624 | G620-A622 PolarHBondContact O-N 3.38Å; A622-G624 PolarHBondContact O-N 2.96Å | ||
| 623 | R | 57.4 | Low | 65.7 | Low | 96 Ų | 96 | 72.8 Ų | 72.8 | 36% | 0.362 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -67 | 120.9 | 179 | -77 | -174.7 | 175.4 | 162.1 | 5.6 | 106.5 | L621 N660 E690 | L621-R623 VanDerWaalsContact C-N 3.26Å; L621-R623 PolarHBondContact O-N 2.85Å; R623-N660 PolarHBondContact O-ND2 2.74Å; R623-E690 IonicContact NH1-OE2 3.4Å |
| 624 | G | 71.1 | Confident | 65.2 | Low | 55 Ų | 55 | 78.1 Ų | 78.1 | 57% | 0.567 | 45% | 0.447 | S | S | * | . | P | Polyproline II helix | trans | -57.5 | 162.3 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | A622 Q626 | A622-G624 PolarHBondContact O-N 2.96Å; G624-Q626 PolarHBondContact O-N 3.41Å |
| 625 | V | 84.5 | Confident | 65 | Low | 52 Ų | 52 | 81.2 Ų | 81.2 | 32% | 0.315 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -55.7 | 132.7 | 176.1 | -179 | 0 | 0 | 0 | 0 | 109.3 | V644 L657 D658 L712 | V625-V644 HydrophobicContact CG1-CG1 4.01Å; V625-V644 WeakPolarHBondContact O-CG2 3.48Å; V625-L657 HydrophobicContact CG1-CD1 3.47Å; V625-L657 VanDerWaalsContact CG1-CD1 3.47Å; V625-L657 HydrophobicContact CG1-CG 4.07Å; V625-D658 WeakPolarHBondContact CA-O 3.18Å; V625-L712 HydrophobicContact CG2-CD2 3.82Å |
| 626 | Q | 86.8 | Confident | 65.6 | Low | 47 Ų | 47 | 77.5 Ų | 77.5 | 22% | 0.22 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 141.4 | 176.5 | -70.4 | -157.5 | -32 | 0 | 0 | 111.5 | G624 Y628 L657 D658 | G624-Q626 PolarHBondContact O-N 3.41Å; Q626-Y628 HydrophobicContact CB-CE1 4.22Å; Q626-Y628 HydrophobicContact CB-CE2 4.14Å; Q626-Y628 PolarHBondContact OE1-OH 3.09Å; Q626-L657 WeakPolarHBondContact O-CA 3.4Å; Q626-D658 PolarHBondContact N-O 2.79Å; Q626-D658 VanDerWaalsContact N-O 3.16Å; Q626-D658 PolarHBondContact O-N 2.78Å |
| 627 | L | 90.7 | Very high | 66.9 | Low | 1 Ų | 1 | 69.6 Ų | 69.6 | 1% | 0.005 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 128.4 | 176.3 | -175.5 | 66.1 | 0 | 0 | 0 | 109.6 | V642 P643 V644 L649 F655 L657 L713 | L627-V642 HydrophobicContact CB-CG2 4.02Å; L627-V642 HydrophobicContact CD2-CG2 3.79Å; L627-V642 HydrophobicContact CG-CG2 3.64Å; L627-V642 VanDerWaalsContact O-CG2 3.31Å; L627-V642 WeakPolarHBondContact O-CG2 3.27Å; L627-V642 PolarHBondContact O-N 3.5Å; L627-P643 WeakPolarHBondContact CD2-O 3.44Å; L627-V644 HydrophobicContact CB-CG2 4.02Å; L627-L649 HydrophobicContact CD2-CD2 4.26Å; L627-F655 HydrophobicContact CD1-CB 3.95Å; L627-F655 HydrophobicContact CD1-CD1 4.29Å; L627-F655 HydrophobicContact CD2-CD1 4.31Å; L627-F655 HydrophobicContact CG-CD1 4.19Å; L627-L657 HydrophobicContact CB-CD1 4.18Å; L627-L657 HydrophobicContact CD1-CB 4.07Å; L627-L657 HydrophobicContact CD1-CD1 4.01Å; L627-L713 HydrophobicContact CD2-CD2 4.22Å |
| 628 | Y | 90.1 | Very high | 68.5 | Low | 7 Ų | 7 | 69 Ų | 69 | 3% | 0.027 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 128.6 | 179.5 | -52 | -71 | 0 | 0 | 0 | 111.3 | Q626 L639 E640 F655 I656 D658 F838 | Q626-Y628 HydrophobicContact CB-CE1 4.22Å; Q626-Y628 HydrophobicContact CB-CE2 4.14Å; Q626-Y628 PolarHBondContact OE1-OH 3.09Å; Y628-L639 HydrophobicContact CG-CD2 4.35Å; Y628-E640 CarbonylContact C-O 3.45Å; Y628-E640 WeakPolarHBondContact CA-O 3.47Å; Y628-F655 CarbonylContact O-C 3.55Å; Y628-F655 WeakPolarHBondContact O-CA 3.34Å; Y628-I656 HydrophobicContact CD2-CB 4.29Å; Y628-I656 HydrophobicContact CD2-CG2 4.34Å; Y628-I656 WeakPolarHBondContact CD2-O 3.35Å; Y628-I656 PolarHBondContact N-O 2.84Å; Y628-I656 PolarHBondContact O-N 2.99Å; Y628-D658 HydrophobicContact CE2-CB 4.09Å; Y628-F838 HydrophobicContact CD1-CD2 4.05Å; Y628-F838 AromaticContact CD1-CE2 3.47Å; Y628-F838 HydrophobicContact CD1-CE2 3.47Å; Y628-F838 VanDerWaalsContact CD1-CE2 3.47Å; Y628-F838 AromaticContact CD1-CZ 3.84Å; Y628-F838 HydrophobicContact CD1-CZ 3.84Å; Y628-F838 HydrophobicContact CE1-CD1 4.4Å; Y628-F838 AromaticContact CE1-CD2 3.94Å; Y628-F838 HydrophobicContact CE1-CD2 3.94Å; Y628-F838 HydrophobicContact CE1-CE1 4.08Å; Y628-F838 AromaticContact CE1-CE2 3.59Å; Y628-F838 HydrophobicContact CE1-CE2 3.59Å; Y628-F838 HydrophobicContact CE1-CG 4.34Å; Y628-F838 AromaticContact CE1-CZ 3.68Å; Y628-F838 HydrophobicContact CE1-CZ 3.68Å; Y628-F838 HydrophobicContact CG-CE2 4.33Å |
| 629 | M | 89.9 | Confident | 70.5 | Confident | 12 Ų | 12 | 62.8 Ų | 62.8 | 6% | 0.059 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 123.6 | 168.1 | -176.2 | -178.3 | 61.6 | 0 | 0 | 109.7 | L639 E640 V642 F653 F655 | M629-L639 WeakPolarHBondContact O-CA 3.39Å; M629-E640 HydrophobicContact CE-CB 4.39Å; M629-E640 WeakPolarHBondContact CE-OE2 3.35Å; M629-E640 PolarHBondContact N-O 2.98Å; M629-E640 PolarHBondContact O-N 3.34Å; M629-V642 HydrophobicContact CB-CG1 3.88Å; M629-V642 HydrophobicContact CB-CG2 4.46Å; M629-F653 HydrophobicContact CG-CB 4.14Å; M629-F653 HydrophobicContact CG-CG 4.29Å; M629-F653 HydrophobicContact SD-CD2 4.2Å; M629-F653 HydrophobicContact SD-CG 4.19Å; M629-F655 HydrophobicContact CB-CD1 4.04Å; M629-F655 HydrophobicContact CB-CE1 3.65Å; M629-F655 HydrophobicContact CB-CZ 4.24Å; M629-F655 HydrophobicContact CG-CD1 4.44Å; M629-F655 HydrophobicContact CG-CE1 3.81Å; M629-F655 HydrophobicContact CG-CZ 3.87Å; M629-F655 HydrophobicContact SD-CZ 4.32Å |
| 630 | V | 88.9 | Confident | 72.3 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 118.9 | 178.4 | -172.9 | 0 | 0 | 0 | 0 | 110 | L637 L639 V654 I656 L675 A679 | V630-L637 HydrophobicContact CG1-CD1 3.6Å; V630-L637 HydrophobicContact CG1-CD2 3.7Å; V630-L637 HydrophobicContact CG1-CG 3.52Å; V630-L639 HydrophobicContact CG2-CD2 4.44Å; V630-V654 WeakPolarHBondContact CA-O 3.29Å; V630-V654 HydrophobicContact CB-CB 4.34Å; V630-V654 VanDerWaalsContact CB-O 3.25Å; V630-V654 WeakPolarHBondContact CB-O 3.44Å; V630-V654 WeakPolarHBondContact CG2-O 3.31Å; V630-V654 PolarHBondContact N-O 2.97Å; V630-I656 HydrophobicContact CG2-CD1 3.69Å; V630-I656 HydrophobicContact CG2-CG1 3.85Å; V630-L675 HydrophobicContact CG1-CD1 3.84Å; V630-L675 HydrophobicContact CG1-CG 4.42Å; V630-A679 HydrophobicContact CG1-CB 4.31Å; V630-A679 HydrophobicContact CG2-CB 4.28Å |
| 631 | S | 83.6 | Confident | 74.3 | Confident | 29 Ų | 29 | 53.5 Ų | 53.5 | 20% | 0.203 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 166.5 | 174.8 | 67.6 | 0 | 0 | 0 | 0 | 111.2 | R638 | S631-R638 PolarHBondContact N-O 2.99Å; S631-R638 PolarHBondContact O-N 3.33Å; S631-R638 PolarHBondContact OG-O 3.46Å |
| 632 | S | 73.1 | Confident | 76.1 | Confident | 69 Ų | 69 | 47 Ų | 47 | 48% | 0.483 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 127.3 | 174.9 | -170.9 | 0 | 0 | 0 | 0 | 111.8 | Q636 | S632-Q636 VanDerWaalsContact CA-O 3.23Å; S632-Q636 WeakPolarHBondContact CA-O 3.38Å; S632-Q636 PolarHBondContact OG-O 3.45Å |
| 633 | D | 64.4 | Low | 78 | Confident | 51 Ų | 51 | 44.7 Ų | 44.7 | 27% | 0.273 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 123.6 | 170.3 | 177.9 | 22 | 0 | 0 | 0 | 108.5 | M635 Q636 R638 | D633-M635 VanDerWaalsContact C-N 3.26Å; D633-M635 PolarHBondContact O-N 3.31Å; D633-Q636 PolarHBondContact N-O 3.03Å; D633-Q636 PolarHBondContact O-N 3.26Å; D633-R638 IonicContact OD2-CZ 3.2Å; D633-R638 IonicContact OD2-NH2 2.66Å; D633-R638 PolarHBondContact OD2-NH2 3.09Å |
| 634 | H | 55.8 | Low | 79.4 | Confident | 136 Ų | 136 | 41.9 Ų | 41.9 | 63% | 0.63 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 28.4 | 53.7 | 173 | -61.2 | -43 | 0 | 0 | 0 | 116.5 | R864 | H634-R864 PolarHBondContact ND1-NH1 3.25Š|
| 635 | M | 53.9 | Low | 80.2 | Confident | 87 Ų | 87 | 41.3 Ų | 41.3 | 43% | 0.429 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 103.8 | -25.1 | 177 | -59 | -60.8 | -69.8 | 0 | 0 | 116.8 | D633 K678 D853 R856 | D633-M635 VanDerWaalsContact C-N 3.26Å; D633-M635 PolarHBondContact O-N 3.31Å; M635-K678 PolarHBondContact O-NZ 3.15Å; M635-D853 HydrophobicContact CE-CB 4.01Å; M635-R856 PolarHBondContact SD-NH2 2.93Å |
| 636 | Q | 64.1 | Low | 80.1 | Confident | 52 Ų | 52 | 40.6 Ų | 40.6 | 24% | 0.243 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 148.1 | -175.2 | -73.8 | 179.2 | -21.6 | 0 | 0 | 112.4 | S632 D633 V844 G845 | S632-Q636 VanDerWaalsContact CA-O 3.23Å; S632-Q636 WeakPolarHBondContact CA-O 3.38Å; S632-Q636 PolarHBondContact OG-O 3.45Å; D633-Q636 PolarHBondContact N-O 3.03Å; D633-Q636 PolarHBondContact O-N 3.26Å; Q636-V844 VanDerWaalsContact OE1-CG2 3.26Å; Q636-G845 VanDerWaalsContact NE2-N 3.19Å |
| 637 | L | 76 | Confident | 79.9 | Confident | 19 Ų | 19 | 41.1 Ų | 41.1 | 10% | 0.099 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 120.3 | 176.8 | -170.5 | 143 | 0 | 0 | 0 | 107.8 | V630 L639 K678 F682 | V630-L637 HydrophobicContact CG1-CD1 3.6Å; V630-L637 HydrophobicContact CG1-CD2 3.7Å; V630-L637 HydrophobicContact CG1-CG 3.52Å; L637-L639 HydrophobicContact CD2-CD1 3.27Å; L637-L639 HydrophobicContact CD2-CG 3.76Å; L637-K678 HydrophobicContact CD1-CB 3.35Å; L637-K678 HydrophobicContact CD1-CG 4.49Å; L637-F682 HydrophobicContact CD2-CD2 4.2Å; L637-F682 HydrophobicContact CD2-CG 4.4Å |
| 638 | R | 77 | Confident | 79.8 | Confident | 103 Ų | 103 | 41.7 Ų | 41.7 | 39% | 0.389 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 123.4 | 176.5 | -71.5 | -170.3 | -175.3 | 175.1 | 11 | 108.7 | S631 D633 E734 | S631-R638 PolarHBondContact N-O 2.99Å; S631-R638 PolarHBondContact O-N 3.33Å; S631-R638 PolarHBondContact OG-O 3.46Å; D633-R638 IonicContact OD2-CZ 3.2Å; D633-R638 IonicContact OD2-NH2 2.66Å; D633-R638 PolarHBondContact OD2-NH2 3.09Å; R638-E734 IonicContact NH1-OE2 2.69Å; R638-E734 PolarHBondContact NH1-OE2 3.45Å |
| 639 | L | 85.1 | Confident | 79.7 | Confident | 3 Ų | 3 | 41.4 Ų | 41.4 | 2% | 0.016 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 129.8 | 170.7 | -61.4 | 97.3 | 0 | 0 | 0 | 109.1 | Y628 M629 V630 L637 I656 F682 F838 S841 K842 | Y628-L639 HydrophobicContact CG-CD2 4.35Å; M629-L639 WeakPolarHBondContact O-CA 3.39Å; V630-L639 HydrophobicContact CG2-CD2 4.44Å; L637-L639 HydrophobicContact CD2-CD1 3.27Å; L637-L639 HydrophobicContact CD2-CG 3.76Å; L639-I656 HydrophobicContact CD2-CD1 3.96Å; L639-F682 HydrophobicContact CD1-CD1 4.48Å; L639-F682 HydrophobicContact CD1-CD2 4.1Å; L639-F682 HydrophobicContact CD1-CE1 3.97Å; L639-F682 HydrophobicContact CD1-CE2 3.55Å; L639-F682 HydrophobicContact CD1-CZ 3.47Å; L639-F682 VanDerWaalsContact CD1-CZ 3.47Å; L639-F682 HydrophobicContact CD2-CD1 4.02Å; L639-F682 HydrophobicContact CD2-CE1 3.49Å; L639-F682 VanDerWaalsContact CD2-CE1 3.49Å; L639-F682 HydrophobicContact CD2-CZ 3.81Å; L639-F682 HydrophobicContact CG-CE1 4.41Å; L639-F682 HydrophobicContact CG-CZ 4.33Å; L639-F838 HydrophobicContact CB-CD2 3.73Å; L639-F838 HydrophobicContact CB-CE2 3.49Å; L639-F838 VanDerWaalsContact CB-CE2 3.49Å; L639-F838 HydrophobicContact CD2-CD2 4.31Å; L639-F838 HydrophobicContact CG-CD2 4.45Å; L639-S841 VanDerWaalsContact CD1-CB 3.5Å; L639-S841 WeakPolarHBondContact CD1-OG 3.42Å; L639-K842 PolarHBondContact O-NZ 2.74Å |
| 640 | E | 84.1 | Confident | 79.6 | Confident | 51 Ų | 51 | 40.9 Ų | 40.9 | 24% | 0.238 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 132.5 | 172.5 | -170.8 | -178.7 | 161 | 0 | 0 | 108.5 | Y628 M629 R732 | Y628-E640 CarbonylContact C-O 3.45Å; Y628-E640 WeakPolarHBondContact CA-O 3.47Å; M629-E640 HydrophobicContact CE-CB 4.39Å; M629-E640 WeakPolarHBondContact CE-OE2 3.35Å; M629-E640 PolarHBondContact N-O 2.98Å; M629-E640 PolarHBondContact O-N 3.34Å; E640-R732 IonicContact OE1-CZ 2.88Å; E640-R732 IonicContact OE1-NH1 3.5Å; E640-R732 PolarHBondContact OE1-NH1 3.34Å; E640-R732 IonicContact OE1-NH2 3.22Å; E640-R732 IonicContact OE2-NH1 3.67Å; E640-R732 PolarHBondContact OE2-NH1 3Å |
| 641 | S | 87.2 | Confident | 79.6 | Confident | 4 Ų | 4 | 41.4 Ų | 41.4 | 3% | 0.028 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 133.1 | 172.4 | -171.9 | 0 | 0 | 0 | 0 | 109.3 | D779 Y824 | S641-D779 WeakPolarHBondContact CB-OD1 3.2Å; S641-Y824 WeakPolarHBondContact O-CE2 3.42Å |
| 642 | V | 87.9 | Confident | 79.8 | Confident | 15 Ų | 15 | 42.3 Ų | 42.3 | 9% | 0.091 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 157.5 | 178.9 | -67 | 0 | 0 | 0 | 0 | 109.8 | L627 M629 V644 F655 | L627-V642 HydrophobicContact CB-CG2 4.02Å; L627-V642 HydrophobicContact CD2-CG2 3.79Å; L627-V642 HydrophobicContact CG-CG2 3.64Å; L627-V642 VanDerWaalsContact O-CG2 3.31Å; L627-V642 WeakPolarHBondContact O-CG2 3.27Å; L627-V642 PolarHBondContact O-N 3.5Å; M629-V642 HydrophobicContact CB-CG1 3.88Å; M629-V642 HydrophobicContact CB-CG2 4.46Å; V642-V644 PolarHBondContact O-N 3.36Å; V642-F655 HydrophobicContact CG2-CD1 4.23Å; V642-F655 HydrophobicContact CG2-CE1 4.16Å |
| 643 | P | 86.1 | Confident | 80.5 | Confident | 49 Ų | 49 | 40.8 Ų | 40.8 | 32% | 0.318 | 22% | 0.218 | S | C | . | . | trans | -55.1 | 139.2 | 177 | -19.5 | 26.3 | 0 | 0 | 0 | 111.6 | L627 S645 S648 Y824 | L627-P643 WeakPolarHBondContact CD2-O 3.44Å; P643-S645 PolarHBondContact O-N 2.95Å; P643-S648 WeakPolarHBondContact CD-OG 3.35Å; P643-S648 VanDerWaalsContact O-CB 3.27Å; P643-S648 WeakPolarHBondContact O-CB 3.33Å; P643-S648 PolarHBondContact O-OG 3.27Å; P643-Y824 HydrophobicContact CB-CD1 4.34Å; P643-Y824 HydrophobicContact CG-CD1 3.56Å; P643-Y824 HydrophobicContact CG-CE1 3.6Å; P643-Y824 HydrophobicContact CG-CG 4.37Å | ||
| 644 | V | 87.8 | Confident | 81.8 | Confident | 38 Ų | 38 | 38.4 Ų | 38.4 | 23% | 0.23 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -76.6 | 76.1 | 173.7 | -172.7 | 0 | 0 | 0 | 0 | 108.8 | V625 L627 V642 L657 L712 L713 | V625-V644 HydrophobicContact CG1-CG1 4.01Å; V625-V644 WeakPolarHBondContact O-CG2 3.48Å; L627-V644 HydrophobicContact CB-CG2 4.02Å; V642-V644 PolarHBondContact O-N 3.36Å; V644-L657 HydrophobicContact CG1-CD1 4.13Å; V644-L712 WeakPolarHBondContact CG1-O 3.41Å; V644-L713 HydrophobicContact CG1-CD2 3.88Å |
| 645 | S | 86.4 | Confident | 83.6 | Confident | 42 Ų | 42 | 31.9 Ų | 31.9 | 29% | 0.294 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -150.5 | 158.2 | -178.2 | 73.2 | 0 | 0 | 0 | 0 | 111.2 | P643 G647 S648 | P643-S645 PolarHBondContact O-N 2.95Å; S645-G647 PolarHBondContact O-N 3.38Å; S645-S648 WeakPolarHBondContact O-CB 3.48Å; S645-S648 PolarHBondContact O-N 3.38Å; S645-S648 PolarHBondContact OG-OG 3.47Å |
| 646 | L | 83.2 | Confident | 85.5 | Confident | 38 Ų | 38 | 27.8 Ų | 27.8 | 20% | 0.199 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -55.4 | -40 | 174.3 | -177 | 77.2 | 0 | 0 | 0 | 112.3 | S648 L649 W710 E715 I724 | L646-S648 PolarHBondContact O-N 3.47Å; L646-S648 VanDerWaalsContact O-N 3.12Å; L646-L649 PolarHBondContact O-N 2.99Å; L646-L649 VanDerWaalsContact O-N 3.12Å; L646-W710 HydrophobicContact CD1-CH2 4.35Å; L646-W710 HydrophobicContact CD1-CZ3 3.66Å; L646-E715 HydrophobicContact CB-CG 4.26Å; L646-I724 HydrophobicContact CD1-CG1 4.4Å |
| 647 | G | 82.8 | Confident | 86.8 | Confident | 57 Ų | 57 | 25.3 Ų | 25.3 | 59% | 0.588 | 14% | 0.144 | S | C | * | . | G | 310 helix | trans | -61.6 | -19.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | S645 H727 | S645-G647 PolarHBondContact O-N 3.38Å; G647-H727 PolarHBondContact O-CE1 3.05Å; G647-H727 PolarHBondContact O-NE2 3.33Å |
| 648 | S | 87.7 | Confident | 87.4 | Confident | 13 Ų | 13 | 24.7 Ų | 24.7 | 9% | 0.091 | 14% | 0.14 | C | C | . | . | G | 310 helix | trans | -79.8 | -21.2 | 178 | -59.9 | 0 | 0 | 0 | 0 | 113.7 | P643 S645 L646 F655 | P643-S648 WeakPolarHBondContact CD-OG 3.35Å; P643-S648 VanDerWaalsContact O-CB 3.27Å; P643-S648 WeakPolarHBondContact O-CB 3.33Å; P643-S648 PolarHBondContact O-OG 3.27Å; S645-S648 WeakPolarHBondContact O-CB 3.48Å; S645-S648 PolarHBondContact O-N 3.38Å; S645-S648 PolarHBondContact OG-OG 3.47Å; L646-S648 PolarHBondContact O-N 3.47Å; L646-S648 VanDerWaalsContact O-N 3.12Å; S648-F655 WeakPolarHBondContact O-CE1 3.35Å; S648-F655 WeakPolarHBondContact O-CZ 3.49Å |
| 649 | L | 89 | Confident | 87.9 | Confident | 2 Ų | 2 | 20.4 Ų | 20.4 | 1% | 0.01 | 13% | 0.127 | C | C | . | . | trans | -74.1 | 133 | -175.9 | -64.3 | 178.6 | 0 | 0 | 0 | 110.8 | L627 L646 F655 W666 F709 L713 I724 H727 | L627-L649 HydrophobicContact CD2-CD2 4.26Å; L646-L649 PolarHBondContact O-N 2.99Å; L646-L649 VanDerWaalsContact O-N 3.12Å; L649-F655 HydrophobicContact CD2-CB 4.07Å; L649-F655 HydrophobicContact CD2-CD1 4.02Å; L649-F655 HydrophobicContact CD2-CD2 4.01Å; L649-F655 HydrophobicContact CD2-CE1 4.45Å; L649-F655 HydrophobicContact CD2-CE2 4.45Å; L649-F655 HydrophobicContact CD2-CG 3.77Å; L649-W666 HydrophobicContact CB-CH2 4.22Å; L649-W666 HydrophobicContact CB-CZ3 4.4Å; L649-W666 HydrophobicContact CD2-CD2 4.25Å; L649-W666 HydrophobicContact CD2-CE3 4.05Å; L649-W666 HydrophobicContact CD2-CZ3 4.34Å; L649-F709 HydrophobicContact CD1-CE1 4.41Å; L649-F709 HydrophobicContact CD1-CZ 4.41Å; L649-L713 HydrophobicContact CD1-CD1 4.05Å; L649-I724 HydrophobicContact CB-CD1 4.28Å; L649-I724 HydrophobicContact CB-CG2 3.9Å; L649-I724 HydrophobicContact CD1-CD1 4.05Å; L649-I724 WeakPolarHBondContact O-CG2 3.43Å; L649-H727 PolarHBondContact O-CE1 2.92Å | ||
| 650 | D | 87.4 | Confident | 87.7 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | trans | -128.1 | 129.6 | 176.7 | -175.6 | -52.4 | 0 | 0 | 0 | 110.3 | R652 F653 F655 W666 V728 | D650-R652 PolarHBondContact O-N 3.48Å; D650-R652 VanDerWaalsContact OD1-CB 3.3Å; D650-R652 WeakPolarHBondContact OD1-CB 3.49Å; D650-R652 WeakPolarHBondContact OD1-CG 3.05Å; D650-R652 IonicContact OD1-CZ 3.45Å; D650-R652 PolarHBondContact OD1-N 3Å; D650-R652 IonicContact OD1-NE 3.43Å; D650-R652 PolarHBondContact OD1-NE 3.22Å; D650-R652 IonicContact OD1-NH2 2.83Å; D650-R652 IonicContact OD2-CZ 3.8Å; D650-R652 IonicContact OD2-NE 3.82Å; D650-R652 PolarHBondContact OD2-NE 2.77Å; D650-R652 IonicContact OD2-NH2 3.03Å; D650-R652 PolarHBondContact OD2-NH2 2.72Å; D650-F653 HydrophobicContact CB-CD2 3.97Å; D650-F653 PolarHBondContact O-N 2.89Å; D650-F655 HydrophobicContact CB-CE2 4.34Å; D650-F655 HydrophobicContact CB-CZ 4.21Å; D650-F655 VanDerWaalsContact N-CE2 3.31Å; D650-W666 WeakPolarHBondContact O-CZ3 3.33Å; D650-V728 HydrophobicContact CB-CG2 4.23Å; D650-V728 PolarHBondContact OD2-N 2.97Å | ||
| 651 | P | 89.1 | Confident | 87.6 | Confident | 12 Ų | 12 | 25.4 Ų | 25.4 | 8% | 0.078 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -17.8 | -176.2 | -24.7 | 35.7 | 0 | 0 | 0 | 115.1 | G668 K669 R670 S671 I724 | P651-G668 CarbonylContact O-C 3.45Å; P651-G668 VanDerWaalsContact O-CA 3.29Å; P651-G668 WeakPolarHBondContact O-CA 3.11Å; P651-K669 PolarHBondContact O-N 3.46Å; P651-R670 CarbonylContact O-C 3.56Å; P651-R670 WeakPolarHBondContact O-CA 3.47Å; P651-R670 WeakPolarHBondContact O-CB 3.46Å; P651-R670 PolarHBondContact O-N 3.04Å; P651-S671 PolarHBondContact O-N 2.92Å; P651-I724 HydrophobicContact CG-CB 4.49Å; P651-I724 HydrophobicContact CG-CG2 4.14Å; P651-I724 WeakPolarHBondContact CG-O 3.24Å |
| 652 | R | 86.8 | Confident | 87.7 | Confident | 48 Ų | 48 | 27.6 Ų | 27.6 | 18% | 0.181 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -15.9 | -177.4 | -62.9 | 172.5 | -68.4 | -177.3 | 13.3 | 113.8 | D650 R670 S671 E726 V728 | D650-R652 PolarHBondContact O-N 3.48Å; D650-R652 VanDerWaalsContact OD1-CB 3.3Å; D650-R652 WeakPolarHBondContact OD1-CB 3.49Å; D650-R652 WeakPolarHBondContact OD1-CG 3.05Å; D650-R652 IonicContact OD1-CZ 3.45Å; D650-R652 PolarHBondContact OD1-N 3Å; D650-R652 IonicContact OD1-NE 3.43Å; D650-R652 PolarHBondContact OD1-NE 3.22Å; D650-R652 IonicContact OD1-NH2 2.83Å; D650-R652 IonicContact OD2-CZ 3.8Å; D650-R652 IonicContact OD2-NE 3.82Å; D650-R652 PolarHBondContact OD2-NE 2.77Å; D650-R652 IonicContact OD2-NH2 3.03Å; D650-R652 PolarHBondContact OD2-NH2 2.72Å; R652-R670 HydrophobicContact CG-CB 4.24Å; R652-S671 VanDerWaalsContact O-CA 3.31Å; R652-S671 WeakPolarHBondContact O-CA 3.42Å; R652-E726 WeakPolarHBondContact CD-OE2 3.32Å; R652-E726 HydrophobicContact CG-CG 4.14Å; R652-E726 IonicContact CZ-OE2 3.27Å; R652-E726 IonicContact NE-OE2 3.61Å; R652-E726 PolarHBondContact NE-OE2 3.03Å; R652-E726 IonicContact NH1-OE2 3.83Å; R652-E726 PolarHBondContact NH1-OE2 3Å; R652-V728 PolarHBondContact NH2-O 3.16Å |
| 653 | F | 89.7 | Confident | 87.8 | Confident | 37 Ų | 37 | 26.9 Ų | 26.9 | 16% | 0.162 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -114.9 | 173.4 | -174.1 | -61.6 | -82.3 | 0 | 0 | 0 | 112.1 | M629 D650 F655 G668 S671 V728 | M629-F653 HydrophobicContact CG-CB 4.14Å; M629-F653 HydrophobicContact CG-CG 4.29Å; M629-F653 HydrophobicContact SD-CD2 4.2Å; M629-F653 HydrophobicContact SD-CG 4.19Å; D650-F653 HydrophobicContact CB-CD2 3.97Å; D650-F653 PolarHBondContact O-N 2.89Å; F653-F655 HydrophobicContact CB-CD2 4.43Å; F653-F655 HydrophobicContact CB-CE2 3.78Å; F653-F655 HydrophobicContact CB-CZ 4.31Å; F653-G668 PolarHBondContact O-N 3.13Å; F653-S671 WeakPolarHBondContact O-CB 3.47Å; F653-V728 HydrophobicContact CE2-CB 4.4Å |
| 654 | V | 91.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 139.2 | 172.6 | -177.8 | 0 | 0 | 0 | 0 | 106.8 | V630 V665 W666 L675 R676 A679 | V630-V654 WeakPolarHBondContact CA-O 3.29Å; V630-V654 HydrophobicContact CB-CB 4.34Å; V630-V654 VanDerWaalsContact CB-O 3.25Å; V630-V654 WeakPolarHBondContact CB-O 3.44Å; V630-V654 WeakPolarHBondContact CG2-O 3.31Å; V630-V654 PolarHBondContact N-O 2.97Å; V654-V665 HydrophobicContact CG1-CG1 3.76Å; V654-W666 WeakPolarHBondContact CA-O 3.44Å; V654-W666 WeakPolarHBondContact CG1-O 3.42Å; V654-L675 HydrophobicContact CB-CG 4.47Å; V654-L675 HydrophobicContact CG2-CB 4.39Å; V654-L675 HydrophobicContact CG2-CD2 4.11Å; V654-L675 HydrophobicContact CG2-CG 4Å; V654-R676 HydrophobicContact CG2-CB 4.44Å; V654-R676 HydrophobicContact CG2-CG 3.76Å; V654-A679 HydrophobicContact CB-CB 4.26Å; V654-A679 HydrophobicContact CG1-CB 3.59Å |
| 655 | F | 93.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 143.7 | -179 | -67.4 | -104.4 | 0 | 0 | 0 | 110.1 | L627 Y628 M629 V642 S648 L649 D650 F653 V665 W666 | L627-F655 HydrophobicContact CD1-CB 3.95Å; L627-F655 HydrophobicContact CD1-CD1 4.29Å; L627-F655 HydrophobicContact CD2-CD1 4.31Å; L627-F655 HydrophobicContact CG-CD1 4.19Å; Y628-F655 CarbonylContact O-C 3.55Å; Y628-F655 WeakPolarHBondContact O-CA 3.34Å; M629-F655 HydrophobicContact CB-CD1 4.04Å; M629-F655 HydrophobicContact CB-CE1 3.65Å; M629-F655 HydrophobicContact CB-CZ 4.24Å; M629-F655 HydrophobicContact CG-CD1 4.44Å; M629-F655 HydrophobicContact CG-CE1 3.81Å; M629-F655 HydrophobicContact CG-CZ 3.87Å; M629-F655 HydrophobicContact SD-CZ 4.32Å; V642-F655 HydrophobicContact CG2-CD1 4.23Å; V642-F655 HydrophobicContact CG2-CE1 4.16Å; S648-F655 WeakPolarHBondContact O-CE1 3.35Å; S648-F655 WeakPolarHBondContact O-CZ 3.49Å; L649-F655 HydrophobicContact CD2-CB 4.07Å; L649-F655 HydrophobicContact CD2-CD1 4.02Å; L649-F655 HydrophobicContact CD2-CD2 4.01Å; L649-F655 HydrophobicContact CD2-CE1 4.45Å; L649-F655 HydrophobicContact CD2-CE2 4.45Å; L649-F655 HydrophobicContact CD2-CG 3.77Å; D650-F655 HydrophobicContact CB-CE2 4.34Å; D650-F655 HydrophobicContact CB-CZ 4.21Å; D650-F655 VanDerWaalsContact N-CE2 3.31Å; F653-F655 HydrophobicContact CB-CD2 4.43Å; F653-F655 HydrophobicContact CB-CE2 3.78Å; F653-F655 HydrophobicContact CB-CZ 4.31Å; F655-V665 CarbonylContact O-C 3.53Å; F655-W666 HydrophobicContact CB-CB 4.47Å; F655-W666 HydrophobicContact CB-CE3 4.29Å; F655-W666 AromaticContact CD2-CE3 3.53Å; F655-W666 HydrophobicContact CD2-CE3 3.53Å; F655-W666 AromaticContact CD2-CZ3 3.58Å; F655-W666 HydrophobicContact CD2-CZ3 3.58Å; F655-W666 HydrophobicContact CE2-CE3 4.27Å; F655-W666 AromaticContact CE2-CZ3 3.85Å; F655-W666 HydrophobicContact CE2-CZ3 3.85Å; F655-W666 HydrophobicContact CG-CE3 4.27Å; F655-W666 PolarHBondContact N-O 2.78Å; F655-W666 PolarHBondContact O-N 2.94Å |
| 656 | I | 92.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 117.6 | 175.7 | -60.5 | 171.1 | 0 | 0 | 0 | 106.9 | Y628 V630 L639 Y664 A679 F682 M686 | Y628-I656 HydrophobicContact CD2-CB 4.29Å; Y628-I656 HydrophobicContact CD2-CG2 4.34Å; Y628-I656 WeakPolarHBondContact CD2-O 3.35Å; Y628-I656 PolarHBondContact N-O 2.84Å; Y628-I656 PolarHBondContact O-N 2.99Å; V630-I656 HydrophobicContact CG2-CD1 3.69Å; V630-I656 HydrophobicContact CG2-CG1 3.85Å; L639-I656 HydrophobicContact CD2-CD1 3.96Å; I656-Y664 WeakPolarHBondContact CA-O 3.37Å; I656-A679 HydrophobicContact CD1-CB 4.44Å; I656-F682 HydrophobicContact CD1-CD1 3.88Å; I656-F682 HydrophobicContact CD1-CE1 4.46Å; I656-M686 HydrophobicContact CG2-CE 4.34Å |
| 657 | L | 92.4 | Very high | 89.1 | Confident | 1 Ų | 1 | 19.2 Ų | 19.2 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 115.2 | 173.6 | -176.7 | 72.7 | 0 | 0 | 0 | 108.3 | V625 Q626 L627 V644 Y664 F709 L712 L713 | V625-L657 HydrophobicContact CG1-CD1 3.47Å; V625-L657 VanDerWaalsContact CG1-CD1 3.47Å; V625-L657 HydrophobicContact CG1-CG 4.07Å; Q626-L657 WeakPolarHBondContact O-CA 3.4Å; L627-L657 HydrophobicContact CB-CD1 4.18Å; L627-L657 HydrophobicContact CD1-CB 4.07Å; L627-L657 HydrophobicContact CD1-CD1 4.01Å; V644-L657 HydrophobicContact CG1-CD1 4.13Å; L657-Y664 HydrophobicContact CB-CD2 4.49Å; L657-Y664 HydrophobicContact CD2-CD2 3.99Å; L657-Y664 HydrophobicContact CG-CD2 4.49Å; L657-Y664 PolarHBondContact N-O 2.95Å; L657-Y664 PolarHBondContact O-N 2.83Å; L657-F709 HydrophobicContact CB-CE2 4.16Å; L657-F709 HydrophobicContact CD2-CD2 3.59Å; L657-F709 HydrophobicContact CD2-CE2 3.74Å; L657-L712 HydrophobicContact CD2-CB 3.85Å; L657-L712 HydrophobicContact CD2-CD1 4.05Å; L657-L713 HydrophobicContact CD1-CD2 4.26Å |
| 658 | D | 89 | Confident | 89.4 | Confident | 5 Ų | 5 | 16.5 Ų | 16.5 | 3% | 0.027 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 106.3 | 177.3 | -172.5 | -7.5 | 0 | 0 | 0 | 110.2 | V625 Q626 Y628 N660 L663 R691 | V625-D658 WeakPolarHBondContact CA-O 3.18Å; Q626-D658 PolarHBondContact N-O 2.79Å; Q626-D658 VanDerWaalsContact N-O 3.16Å; Q626-D658 PolarHBondContact O-N 2.78Å; Y628-D658 HydrophobicContact CE2-CB 4.09Å; D658-N660 PolarHBondContact OD1-N 2.69Å; D658-L663 HydrophobicContact CB-CD2 3.99Å; D658-L663 VanDerWaalsContact OD1-CD2 3.29Å; D658-L663 WeakPolarHBondContact OD1-CD2 2.92Å; D658-R691 IonicContact OD1-CZ 2.8Å; D658-R691 IonicContact OD1-NH2 2.7Å; D658-R691 PolarHBondContact OD1-NH2 2.63Å; D658-R691 IonicContact OD2-CZ 3.38Å; D658-R691 IonicContact OD2-NH2 3.38Å; D658-R691 PolarHBondContact OD2-NH2 2.83Å |
| 659 | A | 86.9 | Confident | 89.3 | Confident | 14 Ų | 14 | 24 Ų | 24 | 12% | 0.116 | 12% | 0.119 | C | C | . | . | trans | -109.3 | 27 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | T661 K662 Y664 L712 | A659-T661 VanDerWaalsContact C-N 3.25Å; A659-T661 PolarHBondContact O-N 3.32Å; A659-K662 CarbonylContact C-O 3.3Å; A659-K662 WeakPolarHBondContact CA-O 3.11Å; A659-K662 WeakPolarHBondContact CB-O 3.48Å; A659-K662 PolarHBondContact N-O 2.82Å; A659-Y664 HydrophobicContact CB-CE2 4.33Å; A659-L712 HydrophobicContact CB-CD1 3.67Å; A659-L712 HydrophobicContact CB-CD2 4.02Å | ||
| 660 | N | 80.6 | Confident | 89.1 | Confident | 50 Ų | 50 | 32.4 Ų | 32.4 | 27% | 0.267 | 15% | 0.151 | S | C | . | . | S | Bend | trans | 62.5 | -64.1 | -178.1 | -62 | -47.5 | 0 | 0 | 0 | 116.8 | R623 D658 R691 S695 | R623-N660 PolarHBondContact O-ND2 2.74Å; D658-N660 PolarHBondContact OD1-N 2.69Å; N660-R691 PolarHBondContact O-NH1 3.37Å; N660-R691 PolarHBondContact OD1-NH1 3.05Å; N660-R691 PolarHBondContact OD1-NH2 2.96Å; N660-S695 PolarHBondContact O-OG 2.89Å |
| 661 | T | 82.7 | Confident | 88.9 | Confident | 109 Ų | 109 | 32.8 Ų | 32.8 | 67% | 0.669 | 15% | 0.153 | S | C | * | . | S | Bend | trans | -79.4 | -31.2 | 178.8 | 54 | 0 | 0 | 0 | 0 | 111.6 | A659 S695 E696 | A659-T661 VanDerWaalsContact C-N 3.25Å; A659-T661 PolarHBondContact O-N 3.32Å; T661-S695 WeakPolarHBondContact O-CA 3.19Å; T661-S695 WeakPolarHBondContact O-CB 3.24Å; T661-E696 PolarHBondContact O-N 2.76Å; T661-E696 VanDerWaalsContact O-N 3.11Å |
| 662 | K | 88.4 | Confident | 88.5 | Confident | 50 Ų | 50 | 40 Ų | 40 | 22% | 0.217 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 143.9 | 176.2 | -65.1 | -170.2 | 174.3 | -178.6 | 0 | 111.4 | A659 Y664 E696 E708 | A659-K662 CarbonylContact C-O 3.3Å; A659-K662 WeakPolarHBondContact CA-O 3.11Å; A659-K662 WeakPolarHBondContact CB-O 3.48Å; A659-K662 PolarHBondContact N-O 2.82Å; K662-Y664 HydrophobicContact CB-CE2 3.79Å; K662-Y664 VanDerWaalsContact CD-OH 3.27Å; K662-Y664 WeakPolarHBondContact CD-OH 3.49Å; K662-E696 WeakPolarHBondContact CA-O 3.19Å; K662-E696 VanDerWaalsContact CE-OE2 3.31Å; K662-E696 WeakPolarHBondContact CE-OE2 3.49Å; K662-E696 HydrophobicContact CG-CB 4.26Å; K662-E696 IonicContact NZ-OE2 3.97Å; K662-E708 IonicContact NZ-OE1 2.73Å; K662-E708 PolarHBondContact NZ-OE1 2.65Å; K662-E708 IonicContact NZ-OE2 3.17Å; K662-E708 PolarHBondContact NZ-OE2 3.14Å |
| 663 | L | 91.1 | Very high | 88 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 115.6 | 175 | -63.7 | 174.9 | 0 | 0 | 0 | 108.8 | D658 T683 M686 N687 E696 I697 E698 | D658-L663 HydrophobicContact CB-CD2 3.99Å; D658-L663 VanDerWaalsContact OD1-CD2 3.29Å; D658-L663 WeakPolarHBondContact OD1-CD2 2.92Å; L663-T683 HydrophobicContact CB-CG2 3.64Å; L663-T683 HydrophobicContact CD1-CG2 3.73Å; L663-T683 HydrophobicContact CG-CG2 4.27Å; L663-M686 HydrophobicContact CD1-CE 3.61Å; L663-M686 HydrophobicContact CD2-CE 3.51Å; L663-M686 HydrophobicContact CG-CE 4.16Å; L663-N687 HydrophobicContact CD1-CB 4.04Å; L663-E696 PolarHBondContact N-O 3.06Å; L663-I697 HydrophobicContact CB-CG1 4.39Å; L663-I697 HydrophobicContact CD1-CG1 4.36Å; L663-I697 WeakPolarHBondContact O-CA 3.44Å; L663-E698 PolarHBondContact O-N 3.38Å |
| 664 | Y | 92.8 | Very high | 87.2 | Confident | 4 Ų | 4 | 44.3 Ų | 44.3 | 2% | 0.016 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 129.8 | 179.3 | -55.2 | -90.6 | 0 | 0 | 0 | 110.7 | I656 L657 A659 K662 E698 F700 P706 E708 F709 L712 | I656-Y664 WeakPolarHBondContact CA-O 3.37Å; L657-Y664 HydrophobicContact CB-CD2 4.49Å; L657-Y664 HydrophobicContact CD2-CD2 3.99Å; L657-Y664 HydrophobicContact CG-CD2 4.49Å; L657-Y664 PolarHBondContact N-O 2.95Å; L657-Y664 PolarHBondContact O-N 2.83Å; A659-Y664 HydrophobicContact CB-CE2 4.33Å; K662-Y664 HydrophobicContact CB-CE2 3.79Å; K662-Y664 VanDerWaalsContact CD-OH 3.27Å; K662-Y664 WeakPolarHBondContact CD-OH 3.49Å; Y664-E698 CarbonylContact C-O 3.52Å; Y664-E698 WeakPolarHBondContact CA-O 3.33Å; Y664-E698 HydrophobicContact CD1-CB 4.04Å; Y664-E698 HydrophobicContact CE1-CB 4.43Å; Y664-E698 WeakPolarHBondContact CE1-OE2 3.46Å; Y664-F700 AromaticContact CD1-CE1 3.67Å; Y664-F700 HydrophobicContact CD1-CE1 3.67Å; Y664-F700 HydrophobicContact CD1-CZ 4.01Å; Y664-F700 HydrophobicContact CG-CE1 4.22Å; Y664-F700 HydrophobicContact CG-CZ 4.34Å; Y664-P706 HydrophobicContact CD1-CG 4.2Å; Y664-P706 HydrophobicContact CE1-CG 3.89Å; Y664-E708 WeakPolarHBondContact OH-CB 3.12Å; Y664-E708 PolarHBondContact OH-OE2 3.3Å; Y664-F709 HydrophobicContact CD1-CB 4.48Å; Y664-F709 HydrophobicContact CD1-CD2 4.45Å; Y664-F709 HydrophobicContact CD2-CD2 4.45Å; Y664-F709 HydrophobicContact CG-CD2 4.02Å; Y664-L712 HydrophobicContact CD2-CD1 4.11Å; Y664-L712 HydrophobicContact CE2-CD1 3.37Å |
| 665 | V | 92.9 | Very high | 86.8 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 94 | 174.1 | -175.4 | 0 | 0 | 0 | 0 | 108.9 | V654 F655 A679 T683 I697 E698 M699 F700 | V654-V665 HydrophobicContact CG1-CG1 3.76Å; F655-V665 CarbonylContact O-C 3.53Å; V665-A679 HydrophobicContact CG1-CB 4.27Å; V665-T683 HydrophobicContact CG2-CG2 3.89Å; V665-T683 WeakPolarHBondContact CG2-OG1 3.22Å; V665-I697 HydrophobicContact CG2-CG2 4.47Å; V665-E698 PolarHBondContact N-O 3.41Å; V665-M699 HydrophobicContact CB-CB 4.13Å; V665-M699 HydrophobicContact CB-CG 4.01Å; V665-M699 HydrophobicContact CG1-CG 4.14Å; V665-F700 PolarHBondContact O-N 3.46Å |
| 666 | W | 93.6 | Very high | 86.3 | Confident | 1 Ų | 1 | 47 Ų | 47 | 0% | 0.004 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 118.4 | 178 | -178.1 | 91.2 | 0 | 0 | 0 | 110.7 | L649 D650 V654 F655 G668 F700 Q702 E705 F709 I724 | L649-W666 HydrophobicContact CB-CH2 4.22Å; L649-W666 HydrophobicContact CB-CZ3 4.4Å; L649-W666 HydrophobicContact CD2-CD2 4.25Å; L649-W666 HydrophobicContact CD2-CE3 4.05Å; L649-W666 HydrophobicContact CD2-CZ3 4.34Å; D650-W666 WeakPolarHBondContact O-CZ3 3.33Å; V654-W666 WeakPolarHBondContact CA-O 3.44Å; V654-W666 WeakPolarHBondContact CG1-O 3.42Å; F655-W666 HydrophobicContact CB-CB 4.47Å; F655-W666 HydrophobicContact CB-CE3 4.29Å; F655-W666 AromaticContact CD2-CE3 3.53Å; F655-W666 HydrophobicContact CD2-CE3 3.53Å; F655-W666 AromaticContact CD2-CZ3 3.58Å; F655-W666 HydrophobicContact CD2-CZ3 3.58Å; F655-W666 HydrophobicContact CE2-CE3 4.27Å; F655-W666 AromaticContact CE2-CZ3 3.85Å; F655-W666 HydrophobicContact CE2-CZ3 3.85Å; F655-W666 HydrophobicContact CG-CE3 4.27Å; F655-W666 PolarHBondContact N-O 2.78Å; F655-W666 PolarHBondContact O-N 2.94Å; W666-G668 VanDerWaalsContact CZ3-CA 3.46Å; W666-F700 HydrophobicContact CB-CE2 4.33Å; W666-F700 AromaticContact CD1-CE2 3.74Å; W666-F700 HydrophobicContact CG-CE2 4.44Å; W666-Q702 HydrophobicContact CZ2-CB 3.78Å; W666-Q702 HydrophobicContact CZ2-CG 3.69Å; W666-E705 PolarHBondContact NE1-OE1 3.12Å; W666-F709 HydrophobicContact CB-CE2 4.17Å; W666-F709 HydrophobicContact CB-CZ 3.91Å; W666-F709 AromaticContact CD1-CE1 3.95Å; W666-F709 AromaticContact CD1-CZ 3.85Å; W666-F709 HydrophobicContact CG-CZ 4.01Å; W666-I724 HydrophobicContact CH2-CD1 4.34Å; W666-I724 HydrophobicContact CZ2-CD1 3.67Å |
| 667 | C | 91.8 | Very high | 85.5 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.007 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 105.9 | -179.1 | -64.2 | 0 | 0 | 0 | 0 | 111.4 | R676 M699 F700 K701 Q702 | C667-R676 HydrophobicContact CB-CG 4.18Å; C667-M699 WeakPolarHBondContact SG-CE 3.13Å; C667-F700 WeakPolarHBondContact CB-O 3.47Å; C667-F700 PolarHBondContact N-O 2.84Å; C667-K701 HydrophobicContact CB-CG 4.44Å; C667-Q702 PolarHBondContact O-N 3.39Å |
| 668 | G | 88.5 | Confident | 85 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.241 | C | C | . | . | trans | -57.2 | 146 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | P651 F653 W666 R670 S671 R676 | P651-G668 CarbonylContact O-C 3.45Å; P651-G668 VanDerWaalsContact O-CA 3.29Å; P651-G668 WeakPolarHBondContact O-CA 3.11Å; F653-G668 PolarHBondContact O-N 3.13Å; W666-G668 VanDerWaalsContact CZ3-CA 3.46Å; G668-R670 PolarHBondContact O-N 2.84Å; G668-R670 VanDerWaalsContact O-N 3.11Å; G668-S671 WeakPolarHBondContact O-CB 3.36Å; G668-S671 PolarHBondContact O-N 2.92Å; G668-S671 PolarHBondContact O-OG 3.27Å; G668-R676 PolarHBondContact O-NH2 2.94Å | ||
| 669 | K | 85.4 | Confident | 84.8 | Confident | 170 Ų | 170 | 49.7 Ų | 49.7 | 74% | 0.739 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -34.7 | -173.4 | -170.9 | 173.6 | -177.8 | 175.5 | 0 | 113.3 | P651 R676 Q702 | P651-K669 PolarHBondContact O-N 3.46Å; K669-R676 PolarHBondContact O-NH2 2.94Å; K669-Q702 HydrophobicContact CB-CB 4.36Å; K669-Q702 VanDerWaalsContact CB-OE1 3.31Å |
| 670 | R | 85 | Confident | 84.7 | Confident | 179 Ų | 179 | 53.1 Ų | 53.1 | 68% | 0.675 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98 | 3.8 | -179.7 | -65.6 | -178.5 | 175.1 | -177.3 | -1.1 | 114 | P651 R652 G668 E726 | P651-R670 CarbonylContact O-C 3.56Å; P651-R670 WeakPolarHBondContact O-CA 3.47Å; P651-R670 WeakPolarHBondContact O-CB 3.46Å; P651-R670 PolarHBondContact O-N 3.04Å; R652-R670 HydrophobicContact CG-CB 4.24Å; G668-R670 PolarHBondContact O-N 2.84Å; G668-R670 VanDerWaalsContact O-N 3.11Å; R670-E726 WeakPolarHBondContact CD-OE1 3.35Å; R670-E726 IonicContact CZ-OE1 3.51Å; R670-E726 IonicContact NE-OE1 3.86Å; R670-E726 IonicContact NH1-OE1 3.19Å; R670-E726 PolarHBondContact NH1-OE1 2.84Å |
| 671 | S | 83.4 | Confident | 84.7 | Confident | 8 Ų | 8 | 53.1 Ų | 53.1 | 6% | 0.056 | 25% | 0.25 | C | C | . | . | trans | -67.5 | 141.5 | 177.8 | 62.3 | 0 | 0 | 0 | 0 | 113 | P651 R652 F653 G668 R676 | P651-S671 PolarHBondContact O-N 2.92Å; R652-S671 VanDerWaalsContact O-CA 3.31Å; R652-S671 WeakPolarHBondContact O-CA 3.42Å; F653-S671 WeakPolarHBondContact O-CB 3.47Å; G668-S671 WeakPolarHBondContact O-CB 3.36Å; G668-S671 PolarHBondContact O-N 2.92Å; G668-S671 PolarHBondContact O-OG 3.27Å; S671-R676 PolarHBondContact O-NE 3.48Å; S671-R676 PolarHBondContact O-NH2 2.77Å; S671-R676 VanDerWaalsContact O-NH2 3.16Å; S671-R676 PolarHBondContact OG-NE 3.31Å; S671-R676 PolarHBondContact OG-NH2 2.99Å | ||
| 672 | K | 80.5 | Confident | 84.9 | Confident | 163 Ų | 163 | 48.1 Ų | 48.1 | 71% | 0.709 | 22% | 0.219 | S | C | * | . | trans | -69.2 | 139.2 | -177.7 | -64.9 | 179.7 | -178.8 | 175.2 | 0 | 110.9 | V674 L675 R676 | K672-V674 VanDerWaalsContact C-N 3.26Å; K672-V674 PolarHBondContact O-N 3.08Å; K672-L675 HydrophobicContact CB-CB 4.24Å; K672-L675 WeakPolarHBondContact O-CB 3.35Å; K672-L675 PolarHBondContact O-N 3.42Å; K672-R676 PolarHBondContact O-N 2.81Å | ||
| 673 | L | 76 | Confident | 84.8 | Confident | 125 Ų | 125 | 45.8 Ų | 45.8 | 65% | 0.654 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -52.5 | -44.6 | 177.5 | 178.8 | 61.4 | 0 | 0 | 0 | 112.4 | L675 R676 T677 | L673-L675 VanDerWaalsContact C-N 3.31Å; L673-L675 PolarHBondContact O-N 2.91Å; L673-R676 WeakPolarHBondContact O-CB 3.3Å; L673-R676 PolarHBondContact O-N 3.29Å; L673-T677 PolarHBondContact O-N 3.11Å; L673-T677 PolarHBondContact O-OG1 3.39Å |
| 674 | V | 73.3 | Confident | 84.4 | Confident | 51 Ų | 51 | 49.3 Ų | 49.3 | 31% | 0.309 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -56.7 | -47.1 | 177.6 | -176.7 | 0 | 0 | 0 | 0 | 110.8 | K672 R676 T677 K678 T855 | K672-V674 VanDerWaalsContact C-N 3.26Å; K672-V674 PolarHBondContact O-N 3.08Å; V674-R676 VanDerWaalsContact C-N 3.33Å; V674-R676 PolarHBondContact O-N 2.88Å; V674-T677 PolarHBondContact O-N 3.34Å; V674-K678 HydrophobicContact CG1-CG 4.19Å; V674-K678 WeakPolarHBondContact O-CG 3.37Å; V674-K678 PolarHBondContact O-N 2.72Å; V674-T855 HydrophobicContact CG2-CG2 4.23Å; V674-T855 VanDerWaalsContact CG2-OG1 3.31Å; V674-T855 WeakPolarHBondContact CG2-OG1 3.4Å |
| 675 | L | 82.8 | Confident | 83.9 | Confident | 19 Ų | 19 | 51.8 Ų | 51.8 | 10% | 0.099 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.3 | -40.4 | 179.9 | -169.1 | 65.8 | 0 | 0 | 0 | 111.6 | V630 V654 K672 L673 K678 A679 | V630-L675 HydrophobicContact CG1-CD1 3.84Å; V630-L675 HydrophobicContact CG1-CG 4.42Å; V654-L675 HydrophobicContact CB-CG 4.47Å; V654-L675 HydrophobicContact CG2-CB 4.39Å; V654-L675 HydrophobicContact CG2-CD2 4.11Å; V654-L675 HydrophobicContact CG2-CG 4Å; K672-L675 HydrophobicContact CB-CB 4.24Å; K672-L675 WeakPolarHBondContact O-CB 3.35Å; K672-L675 PolarHBondContact O-N 3.42Å; L673-L675 VanDerWaalsContact C-N 3.31Å; L673-L675 PolarHBondContact O-N 2.91Å; L675-K678 PolarHBondContact O-N 2.74Å; L675-A679 WeakPolarHBondContact O-CB 3.35Å; L675-A679 PolarHBondContact O-N 2.78Å |
| 676 | R | 82.3 | Confident | 83.5 | Confident | 37 Ų | 37 | 52 Ų | 52 | 14% | 0.14 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.1 | -48.6 | 175.4 | -63.2 | 178.3 | -174.1 | 172.3 | -1.6 | 111.8 | V654 C667 G668 K669 S671 K672 L673 V674 A679 R680 M699 | V654-R676 HydrophobicContact CG2-CB 4.44Å; V654-R676 HydrophobicContact CG2-CG 3.76Å; C667-R676 HydrophobicContact CB-CG 4.18Å; G668-R676 PolarHBondContact O-NH2 2.94Å; K669-R676 PolarHBondContact O-NH2 2.94Å; S671-R676 PolarHBondContact O-NE 3.48Å; S671-R676 PolarHBondContact O-NH2 2.77Å; S671-R676 VanDerWaalsContact O-NH2 3.16Å; S671-R676 PolarHBondContact OG-NE 3.31Å; S671-R676 PolarHBondContact OG-NH2 2.99Å; K672-R676 PolarHBondContact O-N 2.81Å; L673-R676 WeakPolarHBondContact O-CB 3.3Å; L673-R676 PolarHBondContact O-N 3.29Å; V674-R676 VanDerWaalsContact C-N 3.33Å; V674-R676 PolarHBondContact O-N 2.88Å; R676-A679 PolarHBondContact O-N 2.89Å; R676-R680 PolarHBondContact O-N 3.08Å; R676-M699 HydrophobicContact CB-CE 3.82Å |
| 677 | T | 76.8 | Confident | 83.1 | Confident | 47 Ų | 47 | 52.8 Ų | 52.8 | 29% | 0.288 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -63.9 | -42.9 | 178.7 | -53.4 | 0 | 0 | 0 | 0 | 111.4 | L673 V674 A679 R680 L681 | L673-T677 PolarHBondContact O-N 3.11Å; L673-T677 PolarHBondContact O-OG1 3.39Å; V674-T677 PolarHBondContact O-N 3.34Å; T677-A679 VanDerWaalsContact C-N 3.35Å; T677-A679 PolarHBondContact O-N 2.59Å; T677-R680 PolarHBondContact O-N 2.86Å; T677-L681 HydrophobicContact CG2-CD1 4.12Å; T677-L681 WeakPolarHBondContact O-CG 3.35Å; T677-L681 PolarHBondContact O-N 2.89Å |
| 678 | K | 80.4 | Confident | 82.5 | Confident | 16 Ų | 16 | 60.6 Ų | 60.6 | 7% | 0.07 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63 | -41.4 | 177.1 | -55.1 | -139.6 | 177.9 | 177.9 | 0 | 111.6 | M635 L637 V674 L675 F682 I850 | M635-K678 PolarHBondContact O-NZ 3.15Å; L637-K678 HydrophobicContact CD1-CB 3.35Å; L637-K678 HydrophobicContact CD1-CG 4.49Å; V674-K678 HydrophobicContact CG1-CG 4.19Å; V674-K678 WeakPolarHBondContact O-CG 3.37Å; V674-K678 PolarHBondContact O-N 2.72Å; L675-K678 PolarHBondContact O-N 2.74Å; K678-F682 WeakPolarHBondContact O-CB 3.48Å; K678-F682 PolarHBondContact O-N 3.12Å; K678-I850 HydrophobicContact CB-CD1 4.1Å; K678-I850 HydrophobicContact CD-CD1 3.71Å; K678-I850 HydrophobicContact CG-CD1 3.48Å; K678-I850 VanDerWaalsContact CG-CD1 3.48Å |
| 679 | A | 85.5 | Confident | 82 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.4 | -42.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V630 V654 I656 V665 L675 R676 T677 F682 T683 | V630-A679 HydrophobicContact CG1-CB 4.31Å; V630-A679 HydrophobicContact CG2-CB 4.28Å; V654-A679 HydrophobicContact CB-CB 4.26Å; V654-A679 HydrophobicContact CG1-CB 3.59Å; I656-A679 HydrophobicContact CD1-CB 4.44Å; V665-A679 HydrophobicContact CG1-CB 4.27Å; L675-A679 WeakPolarHBondContact O-CB 3.35Å; L675-A679 PolarHBondContact O-N 2.78Å; R676-A679 PolarHBondContact O-N 2.89Å; T677-A679 VanDerWaalsContact C-N 3.35Å; T677-A679 PolarHBondContact O-N 2.59Å; A679-F682 PolarHBondContact O-N 3.44Å; A679-T683 WeakPolarHBondContact O-CB 3.4Å; A679-T683 PolarHBondContact O-N 3.13Å; A679-T683 PolarHBondContact O-OG1 3.16Å |
| 680 | R | 84.7 | Confident | 81.7 | Confident | 85 Ų | 85 | 58.8 Ų | 58.8 | 32% | 0.321 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -58.9 | -52.9 | 174.2 | -176.4 | -172.2 | 67.2 | 92.9 | -0.1 | 111.5 | R676 T677 F682 T683 E684 M699 | R676-R680 PolarHBondContact O-N 3.08Å; T677-R680 PolarHBondContact O-N 2.86Å; R680-F682 VanDerWaalsContact C-N 3.26Å; R680-F682 PolarHBondContact O-N 3.03Å; R680-T683 WeakPolarHBondContact O-CB 3.48Å; R680-T683 PolarHBondContact O-N 2.83Å; R680-E684 IonicContact CZ-OE1 2.73Å; R680-E684 IonicContact CZ-OE2 2.76Å; R680-E684 IonicContact NH1-OE1 3.27Å; R680-E684 PolarHBondContact NH1-OE1 3.43Å; R680-E684 IonicContact NH1-OE2 3.65Å; R680-E684 PolarHBondContact NH1-OE2 3.09Å; R680-E684 PolarHBondContact O-N 3.23Å; R680-M699 HydrophobicContact CB-SD 3.9Å; R680-M699 HydrophobicContact CG-SD 4Å |
| 681 | L | 81.4 | Confident | 81.5 | Confident | 51 Ų | 51 | 52.3 Ų | 52.3 | 27% | 0.267 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -61.6 | -35.7 | 179.8 | -68.5 | 173.2 | 0 | 0 | 0 | 111.9 | T677 T683 K685 V849 I850 | T677-L681 HydrophobicContact CG2-CD1 4.12Å; T677-L681 WeakPolarHBondContact O-CG 3.35Å; T677-L681 PolarHBondContact O-N 2.89Å; L681-T683 VanDerWaalsContact C-N 3.34Å; L681-K685 WeakPolarHBondContact O-CB 3.45Å; L681-K685 PolarHBondContact O-N 3.32Å; L681-V849 VanDerWaalsContact C-CG1 3.46Å; L681-V849 HydrophobicContact CB-CG1 3.49Å; L681-V849 VanDerWaalsContact CB-CG1 3.49Å; L681-I850 HydrophobicContact CD1-CD1 3.89Å; L681-I850 HydrophobicContact CD1-CG1 3.74Å |
| 682 | F | 85.9 | Confident | 81.2 | Confident | 4 Ų | 4 | 60.6 Ų | 60.6 | 2% | 0.018 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63 | -44.6 | 174.3 | 179.5 | -85.2 | 0 | 0 | 0 | 110.5 | L637 L639 I656 K678 A679 R680 K685 M686 M837 V849 | L637-F682 HydrophobicContact CD2-CD2 4.2Å; L637-F682 HydrophobicContact CD2-CG 4.4Å; L639-F682 HydrophobicContact CD1-CD1 4.48Å; L639-F682 HydrophobicContact CD1-CD2 4.1Å; L639-F682 HydrophobicContact CD1-CE1 3.97Å; L639-F682 HydrophobicContact CD1-CE2 3.55Å; L639-F682 HydrophobicContact CD1-CZ 3.47Å; L639-F682 VanDerWaalsContact CD1-CZ 3.47Å; L639-F682 HydrophobicContact CD2-CD1 4.02Å; L639-F682 HydrophobicContact CD2-CE1 3.49Å; L639-F682 VanDerWaalsContact CD2-CE1 3.49Å; L639-F682 HydrophobicContact CD2-CZ 3.81Å; L639-F682 HydrophobicContact CG-CE1 4.41Å; L639-F682 HydrophobicContact CG-CZ 4.33Å; I656-F682 HydrophobicContact CD1-CD1 3.88Å; I656-F682 HydrophobicContact CD1-CE1 4.46Å; K678-F682 WeakPolarHBondContact O-CB 3.48Å; K678-F682 PolarHBondContact O-N 3.12Å; A679-F682 PolarHBondContact O-N 3.44Å; R680-F682 VanDerWaalsContact C-N 3.26Å; R680-F682 PolarHBondContact O-N 3.03Å; F682-K685 PolarHBondContact O-N 2.9Å; F682-M686 HydrophobicContact CE1-SD 4.12Å; F682-M686 WeakPolarHBondContact O-CB 3.4Å; F682-M686 PolarHBondContact O-N 3.21Å; F682-M837 HydrophobicContact CD2-CE 3.83Å; F682-M837 HydrophobicContact CE1-CB 4.44Å; F682-M837 HydrophobicContact CE2-CB 4.03Å; F682-M837 HydrophobicContact CE2-CE 3.8Å; F682-M837 HydrophobicContact CZ-CB 3.75Å; F682-V849 HydrophobicContact CB-CG1 4.06Å; F682-V849 HydrophobicContact CB-CG2 3.96Å; F682-V849 HydrophobicContact CD2-CG2 3.55Å; F682-V849 HydrophobicContact CG-CG2 4.23Å; F682-V849 VanDerWaalsContact N-CG1 3.26Å |
| 683 | T | 87.2 | Confident | 81.1 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.8 | -40.8 | 179.8 | -50.1 | 0 | 0 | 0 | 0 | 111.8 | L663 V665 A679 R680 L681 M686 N687 I697 | L663-T683 HydrophobicContact CB-CG2 3.64Å; L663-T683 HydrophobicContact CD1-CG2 3.73Å; L663-T683 HydrophobicContact CG-CG2 4.27Å; V665-T683 HydrophobicContact CG2-CG2 3.89Å; V665-T683 WeakPolarHBondContact CG2-OG1 3.22Å; A679-T683 WeakPolarHBondContact O-CB 3.4Å; A679-T683 PolarHBondContact O-N 3.13Å; A679-T683 PolarHBondContact O-OG1 3.16Å; R680-T683 WeakPolarHBondContact O-CB 3.48Å; R680-T683 PolarHBondContact O-N 2.83Å; L681-T683 VanDerWaalsContact C-N 3.34Å; T683-M686 HydrophobicContact CG2-CE 4.39Å; T683-M686 WeakPolarHBondContact O-CB 3.37Å; T683-M686 PolarHBondContact O-N 3.35Å; T683-N687 WeakPolarHBondContact O-CB 3.34Å; T683-N687 PolarHBondContact O-N 3.23Å; T683-I697 HydrophobicContact CG2-CD1 4.32Å; T683-I697 HydrophobicContact CG2-CG1 4.26Å; T683-I697 HydrophobicContact CG2-CG2 3.88Å |
| 684 | E | 83.2 | Confident | 81.3 | Confident | 74 Ų | 74 | 56.5 Ų | 56.5 | 35% | 0.346 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.5 | -45.5 | 173.8 | -77.5 | 170.4 | -174 | 0 | 0 | 112.4 | R680 M686 N687 K688 I697 | R680-E684 IonicContact CZ-OE1 2.73Å; R680-E684 IonicContact CZ-OE2 2.76Å; R680-E684 IonicContact NH1-OE1 3.27Å; R680-E684 PolarHBondContact NH1-OE1 3.43Å; R680-E684 IonicContact NH1-OE2 3.65Å; R680-E684 PolarHBondContact NH1-OE2 3.09Å; R680-E684 PolarHBondContact O-N 3.23Å; E684-M686 VanDerWaalsContact C-N 3.32Å; E684-M686 PolarHBondContact O-N 3.34Å; E684-N687 PolarHBondContact O-N 3.08Å; E684-K688 PolarHBondContact O-N 3.15Å; E684-I697 VanDerWaalsContact CA-CD1 3.49Å; E684-I697 HydrophobicContact CB-CD1 4.15Å; E684-I697 HydrophobicContact CG-CD1 3.57Å |
| 685 | K | 82.4 | Confident | 81.8 | Confident | 56 Ų | 56 | 54.6 Ų | 54.6 | 24% | 0.243 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.6 | -38.8 | 176.3 | -172.2 | 169 | 172.9 | -178.8 | 0 | 111.3 | L681 F682 K688 T689 M837 D847 | L681-K685 WeakPolarHBondContact O-CB 3.45Å; L681-K685 PolarHBondContact O-N 3.32Å; F682-K685 PolarHBondContact O-N 2.9Å; K685-K688 PolarHBondContact O-N 3.37Å; K685-T689 VanDerWaalsContact O-CB 3.25Å; K685-T689 WeakPolarHBondContact O-CB 3.25Å; K685-T689 PolarHBondContact O-N 3.42Å; K685-T689 PolarHBondContact O-OG1 2.89Å; K685-M837 HydrophobicContact CB-CE 3.99Å; K685-M837 HydrophobicContact CD-CE 3.58Å; K685-M837 HydrophobicContact CD-SD 3.94Å; K685-M837 HydrophobicContact CG-CE 3.7Å; K685-M837 HydrophobicContact CG-SD 3.84Å; K685-D847 IonicContact NZ-OD1 3.6Å; K685-D847 PolarHBondContact NZ-OD1 3.11Å |
| 686 | M | 83.4 | Confident | 82 | Confident | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.02 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.3 | -44.9 | 173.9 | -173.1 | 174.2 | 72.5 | 0 | 0 | 111.7 | I656 L663 F682 T683 E684 T689 E690 M837 | I656-M686 HydrophobicContact CG2-CE 4.34Å; L663-M686 HydrophobicContact CD1-CE 3.61Å; L663-M686 HydrophobicContact CD2-CE 3.51Å; L663-M686 HydrophobicContact CG-CE 4.16Å; F682-M686 HydrophobicContact CE1-SD 4.12Å; F682-M686 WeakPolarHBondContact O-CB 3.4Å; F682-M686 PolarHBondContact O-N 3.21Å; T683-M686 HydrophobicContact CG2-CE 4.39Å; T683-M686 WeakPolarHBondContact O-CB 3.37Å; T683-M686 PolarHBondContact O-N 3.35Å; E684-M686 VanDerWaalsContact C-N 3.32Å; E684-M686 PolarHBondContact O-N 3.34Å; M686-T689 PolarHBondContact O-N 2.57Å; M686-E690 WeakPolarHBondContact O-CB 3.23Å; M686-E690 PolarHBondContact O-N 2.84Å; M686-M837 HydrophobicContact CB-CB 4.4Å; M686-M837 HydrophobicContact CB-CG 4.31Å; M686-M837 HydrophobicContact CG-CB 4.47Å |
| 687 | N | 84.8 | Confident | 82.3 | Confident | 19 Ų | 19 | 59.6 Ų | 59.6 | 10% | 0.102 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.3 | -48.3 | 175.6 | -173.1 | 20.3 | 0 | 0 | 0 | 112 | L663 T683 E684 T689 R691 K692 G693 S695 I697 | L663-N687 HydrophobicContact CD1-CB 4.04Å; T683-N687 WeakPolarHBondContact O-CB 3.34Å; T683-N687 PolarHBondContact O-N 3.23Å; E684-N687 PolarHBondContact O-N 3.08Å; N687-T689 PolarHBondContact O-N 2.84Å; N687-R691 CarbonylContact O-C 3.1Å; N687-R691 VanDerWaalsContact O-C 3.23Å; N687-R691 VanDerWaalsContact O-CA 3.3Å; N687-R691 WeakPolarHBondContact O-CA 3.42Å; N687-R691 VanDerWaalsContact O-CB 3.31Å; N687-R691 WeakPolarHBondContact O-CB 3Å; N687-R691 PolarHBondContact O-N 3.36Å; N687-R691 VanDerWaalsContact O-N 3.07Å; N687-R691 WeakPolarHBondContact OD1-CB 3.4Å; N687-K692 PolarHBondContact O-N 3.22Å; N687-G693 PolarHBondContact O-N 2.92Å; N687-S695 PolarHBondContact ND2-O 3.03Å; N687-S695 WeakPolarHBondContact OD1-CB 3.46Å; N687-S695 PolarHBondContact OD1-N 3.47Å; N687-S695 VanDerWaalsContact OD1-N 3.1Å; N687-S695 PolarHBondContact OD1-O 3.4Å; N687-I697 HydrophobicContact CB-CD1 3.76Å; N687-I697 HydrophobicContact CB-CG1 4.23Å |
| 688 | K | 79.6 | Confident | 82.8 | Confident | 164 Ų | 164 | 60.4 Ų | 60.4 | 71% | 0.713 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -62.8 | -42.2 | 179.3 | -171.9 | 173.2 | -178.2 | 173 | 0 | 112.3 | E684 K685 | E684-K688 PolarHBondContact O-N 3.15Å; K685-K688 PolarHBondContact O-N 3.37Å |
| 689 | T | 77.3 | Confident | 83.3 | Confident | 79 Ų | 79 | 63.4 Ų | 63.4 | 49% | 0.485 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -85.2 | -46.2 | -171.3 | -46.8 | 0 | 0 | 0 | 0 | 112.6 | K685 M686 N687 | K685-T689 VanDerWaalsContact O-CB 3.25Å; K685-T689 WeakPolarHBondContact O-CB 3.25Å; K685-T689 PolarHBondContact O-N 3.42Å; K685-T689 PolarHBondContact O-OG1 2.89Å; M686-T689 PolarHBondContact O-N 2.57Å; N687-T689 PolarHBondContact O-N 2.84Å |
| 690 | E | 80.3 | Confident | 83.4 | Confident | 53 Ų | 53 | 64.2 Ų | 64.2 | 25% | 0.248 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -98.5 | -32.6 | -173.3 | -63.6 | -176.5 | -141.6 | 0 | 0 | 112.7 | R623 M686 T836 M837 | R623-E690 IonicContact NH1-OE2 3.4Å; M686-E690 WeakPolarHBondContact O-CB 3.23Å; M686-E690 PolarHBondContact O-N 2.84Å; E690-T836 WeakPolarHBondContact OE1-CA 3.41Å; E690-T836 WeakPolarHBondContact OE1-CB 3.35Å; E690-M837 WeakPolarHBondContact OE1-CB 3.45Å; E690-M837 PolarHBondContact OE1-N 2.89Å |
| 691 | R | 81 | Confident | 83.6 | Confident | 44 Ų | 44 | 66.4 Ų | 66.4 | 17% | 0.166 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -103.1 | 4 | -176.7 | -47.4 | -66.7 | -176.4 | 160.6 | -2.6 | 113.1 | D658 N660 N687 G693 L694 S695 | D658-R691 IonicContact OD1-CZ 2.8Å; D658-R691 IonicContact OD1-NH2 2.7Å; D658-R691 PolarHBondContact OD1-NH2 2.63Å; D658-R691 IonicContact OD2-CZ 3.38Å; D658-R691 IonicContact OD2-NH2 3.38Å; D658-R691 PolarHBondContact OD2-NH2 2.83Å; N660-R691 PolarHBondContact O-NH1 3.37Å; N660-R691 PolarHBondContact OD1-NH1 3.05Å; N660-R691 PolarHBondContact OD1-NH2 2.96Å; N687-R691 CarbonylContact O-C 3.1Å; N687-R691 VanDerWaalsContact O-C 3.23Å; N687-R691 VanDerWaalsContact O-CA 3.3Å; N687-R691 WeakPolarHBondContact O-CA 3.42Å; N687-R691 VanDerWaalsContact O-CB 3.31Å; N687-R691 WeakPolarHBondContact O-CB 3Å; N687-R691 PolarHBondContact O-N 3.36Å; N687-R691 VanDerWaalsContact O-N 3.07Å; N687-R691 WeakPolarHBondContact OD1-CB 3.4Å; R691-G693 PolarHBondContact O-N 3.22Å; R691-G693 VanDerWaalsContact O-N 3.1Å; R691-L694 WeakPolarHBondContact O-CB 3.34Å; R691-L694 PolarHBondContact O-N 3.36Å; R691-S695 VanDerWaalsContact CB-OG 3.27Å; R691-S695 WeakPolarHBondContact CB-OG 3.18Å; R691-S695 VanDerWaalsContact CG-OG 3.27Å; R691-S695 WeakPolarHBondContact CG-OG 3.42Å |
| 692 | K | 77.4 | Confident | 83.8 | Confident | 182 Ų | 182 | 66.5 Ų | 66.5 | 79% | 0.791 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 26.9 | -177.2 | -56.7 | 177.9 | -178.5 | 175.3 | 0 | 113.7 | N687 L694 | N687-K692 PolarHBondContact O-N 3.22Å; K692-L694 VanDerWaalsContact C-N 3.28Å; K692-L694 PolarHBondContact O-N 3.18Å |
| 693 | G | 77.2 | Confident | 83.6 | Confident | 47 Ų | 47 | 69.1 Ų | 69.1 | 49% | 0.485 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74 | 12.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | N687 R691 | N687-G693 PolarHBondContact O-N 2.92Å; R691-G693 PolarHBondContact O-N 3.22Å; R691-G693 VanDerWaalsContact O-N 3.1Å |
| 694 | L | 80.3 | Confident | 83.6 | Confident | 154 Ų | 154 | 77.2 Ų | 77.2 | 81% | 0.806 | 39% | 0.39 | S | S | * | . | trans | -84.6 | -18 | -178.9 | -62.3 | 173 | 0 | 0 | 0 | 113.4 | R691 K692 | R691-L694 WeakPolarHBondContact O-CB 3.34Å; R691-L694 PolarHBondContact O-N 3.36Å; K692-L694 VanDerWaalsContact C-N 3.28Å; K692-L694 PolarHBondContact O-N 3.18Å | ||
| 695 | S | 85.1 | Confident | 83.8 | Confident | 12 Ų | 12 | 75.3 Ų | 75.3 | 8% | 0.084 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -85.4 | 143.1 | 180 | -54.9 | 0 | 0 | 0 | 0 | 111.3 | N660 T661 N687 R691 | N660-S695 PolarHBondContact O-OG 2.89Å; T661-S695 WeakPolarHBondContact O-CA 3.19Å; T661-S695 WeakPolarHBondContact O-CB 3.24Å; N687-S695 PolarHBondContact ND2-O 3.03Å; N687-S695 WeakPolarHBondContact OD1-CB 3.46Å; N687-S695 PolarHBondContact OD1-N 3.47Å; N687-S695 VanDerWaalsContact OD1-N 3.1Å; N687-S695 PolarHBondContact OD1-O 3.4Å; R691-S695 VanDerWaalsContact CB-OG 3.27Å; R691-S695 WeakPolarHBondContact CB-OG 3.18Å; R691-S695 VanDerWaalsContact CG-OG 3.27Å; R691-S695 WeakPolarHBondContact CG-OG 3.42Å |
| 696 | E | 85.8 | Confident | 84 | Confident | 112 Ų | 112 | 74 Ų | 74 | 52% | 0.523 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 139.7 | 171.8 | -170.2 | 177.5 | -172.6 | 0 | 0 | 110.1 | T661 K662 L663 | T661-E696 PolarHBondContact O-N 2.76Å; T661-E696 VanDerWaalsContact O-N 3.11Å; K662-E696 WeakPolarHBondContact CA-O 3.19Å; K662-E696 VanDerWaalsContact CE-OE2 3.31Å; K662-E696 WeakPolarHBondContact CE-OE2 3.49Å; K662-E696 HydrophobicContact CG-CB 4.26Å; K662-E696 IonicContact NZ-OE2 3.97Å; L663-E696 PolarHBondContact N-O 3.06Å |
| 697 | I | 87.8 | Confident | 84.1 | Confident | 48 Ų | 48 | 79.1 Ų | 79.1 | 25% | 0.246 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 116.9 | 177.1 | -56.9 | 172.9 | 0 | 0 | 0 | 108.7 | L663 V665 T683 E684 N687 | L663-I697 HydrophobicContact CB-CG1 4.39Å; L663-I697 HydrophobicContact CD1-CG1 4.36Å; L663-I697 WeakPolarHBondContact O-CA 3.44Å; V665-I697 HydrophobicContact CG2-CG2 4.47Å; T683-I697 HydrophobicContact CG2-CD1 4.32Å; T683-I697 HydrophobicContact CG2-CG1 4.26Å; T683-I697 HydrophobicContact CG2-CG2 3.88Å; E684-I697 VanDerWaalsContact CA-CD1 3.49Å; E684-I697 HydrophobicContact CB-CD1 4.15Å; E684-I697 HydrophobicContact CG-CD1 3.57Å; N687-I697 HydrophobicContact CB-CD1 3.76Å; N687-I697 HydrophobicContact CB-CG1 4.23Å |
| 698 | E | 89 | Confident | 84.2 | Confident | 64 Ų | 64 | 82.8 Ų | 82.8 | 30% | 0.299 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 120.8 | 178.3 | -160.1 | -177.2 | 162.4 | 0 | 0 | 110.3 | L663 Y664 V665 F700 | L663-E698 PolarHBondContact O-N 3.38Å; Y664-E698 CarbonylContact C-O 3.52Å; Y664-E698 WeakPolarHBondContact CA-O 3.33Å; Y664-E698 HydrophobicContact CD1-CB 4.04Å; Y664-E698 HydrophobicContact CE1-CB 4.43Å; Y664-E698 WeakPolarHBondContact CE1-OE2 3.46Å; V665-E698 PolarHBondContact N-O 3.41Å; E698-F700 HydrophobicContact CB-CE1 4.47Å; E698-F700 HydrophobicContact CG-CD1 4.08Å; E698-F700 HydrophobicContact CG-CE1 4.39Å |
| 699 | M | 89.9 | Confident | 84.6 | Confident | 80 Ų | 80 | 75 Ų | 75 | 39% | 0.394 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 122.1 | -178.9 | -178.4 | -174.9 | -179 | 0 | 0 | 110.5 | V665 C667 R676 R680 | V665-M699 HydrophobicContact CB-CB 4.13Å; V665-M699 HydrophobicContact CB-CG 4.01Å; V665-M699 HydrophobicContact CG1-CG 4.14Å; C667-M699 WeakPolarHBondContact SG-CE 3.13Å; R676-M699 HydrophobicContact CB-CE 3.82Å; R680-M699 HydrophobicContact CB-SD 3.9Å; R680-M699 HydrophobicContact CG-SD 4Å |
| 700 | F | 88.8 | Confident | 85 | Confident | 16 Ų | 16 | 71.6 Ų | 71.6 | 7% | 0.07 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 156.3 | -176.8 | 46.6 | -80.8 | 0 | 0 | 0 | 111.8 | Y664 V665 W666 C667 E698 K704 E705 P706 F709 | Y664-F700 AromaticContact CD1-CE1 3.67Å; Y664-F700 HydrophobicContact CD1-CE1 3.67Å; Y664-F700 HydrophobicContact CD1-CZ 4.01Å; Y664-F700 HydrophobicContact CG-CE1 4.22Å; Y664-F700 HydrophobicContact CG-CZ 4.34Å; V665-F700 PolarHBondContact O-N 3.46Å; W666-F700 HydrophobicContact CB-CE2 4.33Å; W666-F700 AromaticContact CD1-CE2 3.74Å; W666-F700 HydrophobicContact CG-CE2 4.44Å; C667-F700 WeakPolarHBondContact CB-O 3.47Å; C667-F700 PolarHBondContact N-O 2.84Å; E698-F700 HydrophobicContact CB-CE1 4.47Å; E698-F700 HydrophobicContact CG-CD1 4.08Å; E698-F700 HydrophobicContact CG-CE1 4.39Å; F700-K704 HydrophobicContact CB-CB 4.44Å; F700-K704 WeakPolarHBondContact CB-O 3.09Å; F700-E705 HydrophobicContact CD2-CB 4.02Å; F700-E705 HydrophobicContact CD2-CG 3.71Å; F700-E705 HydrophobicContact CE2-CB 3.78Å; F700-E705 HydrophobicContact CE2-CG 3.51Å; F700-P706 HydrophobicContact CE1-CG 4.32Å; F700-P706 HydrophobicContact CZ-CG 4.33Å; F700-F709 HydrophobicContact CE2-CD1 4.26Å; F700-F709 HydrophobicContact CE2-CD2 4.24Å; F700-F709 HydrophobicContact CE2-CE1 4.47Å; F700-F709 HydrophobicContact CE2-CE2 4.44Å; F700-F709 HydrophobicContact CE2-CG 4.14Å; F700-F709 HydrophobicContact CZ-CB 4.22Å; F700-F709 HydrophobicContact CZ-CD1 4.42Å; F700-F709 AromaticContact CZ-CD2 3.66Å; F700-F709 HydrophobicContact CZ-CD2 3.66Å; F700-F709 HydrophobicContact CZ-CE2 4.06Å; F700-F709 AromaticContact CZ-CG 3.85Å; F700-F709 HydrophobicContact CZ-CG 3.85Å |
| 701 | K | 87.9 | Confident | 85.3 | Confident | 132 Ų | 132 | 73 Ų | 73 | 57% | 0.574 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90 | 153.8 | 176.3 | -66.5 | 177.2 | -175.6 | 169.3 | 0 | 109.7 | C667 G703 K704 | C667-K701 HydrophobicContact CB-CG 4.44Å; K701-G703 PolarHBondContact O-N 2.97Å; K701-K704 PolarHBondContact O-N 3.34Å |
| 702 | Q | 84.9 | Confident | 85.5 | Confident | 53 Ų | 53 | 73.1 Ų | 73.1 | 25% | 0.248 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48.1 | 123.1 | 170.7 | -175.8 | 177.4 | 2.8 | 0 | 0 | 111.4 | W666 C667 K669 E705 | W666-Q702 HydrophobicContact CZ2-CB 3.78Å; W666-Q702 HydrophobicContact CZ2-CG 3.69Å; C667-Q702 PolarHBondContact O-N 3.39Å; K669-Q702 HydrophobicContact CB-CB 4.36Å; K669-Q702 VanDerWaalsContact CB-OE1 3.31Å; Q702-E705 VanDerWaalsContact CA-OE1 3.24Å; Q702-E705 WeakPolarHBondContact CA-OE1 3.31Å |
| 703 | G | 82.8 | Confident | 85.9 | Confident | 59 Ų | 59 | 64.6 Ų | 64.6 | 61% | 0.608 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.5 | 3.5 | -174 | 0 | 0 | 0 | 0 | 0 | 115.9 | K701 E705 | K701-G703 PolarHBondContact O-N 2.97Å; G703-E705 WeakPolarHBondContact CA-OE2 3.36Å; G703-E705 PolarHBondContact N-OE1 3.34Å; G703-E705 PolarHBondContact N-OE2 2.74Å |
| 704 | K | 86.6 | Confident | 86.1 | Confident | 170 Ų | 170 | 69 Ų | 69 | 74% | 0.739 | 36% | 0.358 | S | S | * | . | trans | -129.8 | 30 | 176.5 | -68 | -66.4 | -175.9 | -176.9 | 0 | 111.6 | F700 K701 | F700-K704 HydrophobicContact CB-CB 4.44Å; F700-K704 WeakPolarHBondContact CB-O 3.09Å; K701-K704 PolarHBondContact O-N 3.34Å | ||
| 705 | E | 87.2 | Confident | 86 | Confident | 33 Ų | 33 | 65.2 Ų | 65.2 | 15% | 0.154 | 34% | 0.336 | C | S | . | . | trans | -76 | 137.1 | -177.5 | -58 | 87.3 | 169.9 | 0 | 0 | 112.2 | W666 F700 Q702 G703 F709 W710 | W666-E705 PolarHBondContact NE1-OE1 3.12Å; F700-E705 HydrophobicContact CD2-CB 4.02Å; F700-E705 HydrophobicContact CD2-CG 3.71Å; F700-E705 HydrophobicContact CE2-CB 3.78Å; F700-E705 HydrophobicContact CE2-CG 3.51Å; Q702-E705 VanDerWaalsContact CA-OE1 3.24Å; Q702-E705 WeakPolarHBondContact CA-OE1 3.31Å; G703-E705 WeakPolarHBondContact CA-OE2 3.36Å; G703-E705 PolarHBondContact N-OE1 3.34Å; G703-E705 PolarHBondContact N-OE2 2.74Å; E705-F709 HydrophobicContact CB-CD1 4.05Å; E705-F709 HydrophobicContact CG-CD1 4.12Å; E705-F709 HydrophobicContact CG-CE1 4.21Å; E705-W710 HydrophobicContact CB-CZ2 3.63Å; E705-W710 HydrophobicContact CG-CH2 4.26Å; E705-W710 HydrophobicContact CG-CZ2 3.52Å | ||
| 706 | P | 86.9 | Confident | 85.6 | Confident | 29 Ų | 29 | 69.1 Ų | 69.1 | 19% | 0.188 | 36% | 0.356 | C | S | . | . | trans | -73.9 | 157.3 | 173.7 | 31.3 | -34.3 | 0 | 0 | 0 | 111.9 | Y664 F700 E708 F709 | Y664-P706 HydrophobicContact CD1-CG 4.2Å; Y664-P706 HydrophobicContact CE1-CG 3.89Å; F700-P706 HydrophobicContact CE1-CG 4.32Å; F700-P706 HydrophobicContact CZ-CG 4.33Å; P706-E708 VanDerWaalsContact C-N 3.3Å; P706-E708 PolarHBondContact O-N 3.5Å; P706-F709 HydrophobicContact CG-CB 3.87Å; P706-F709 WeakPolarHBondContact O-CB 3.45Å; P706-F709 PolarHBondContact O-N 2.92Å; P706-F709 VanDerWaalsContact O-N 3.15Å | ||
| 707 | D | 85.4 | Confident | 84.8 | Confident | 111 Ų | 111 | 65.5 Ų | 65.5 | 59% | 0.594 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -64.1 | -34 | -177.9 | -63.8 | -30.7 | 0 | 0 | 0 | 113 | F709 W710 T711 P717 | D707-F709 VanDerWaalsContact C-N 3.26Å; D707-F709 PolarHBondContact O-N 2.9Å; D707-W710 PolarHBondContact O-N 2.82Å; D707-T711 PolarHBondContact O-N 3.3Å; D707-T711 PolarHBondContact O-OG1 3.45Å; D707-T711 VanDerWaalsContact O-OG1 3.09Å; D707-P717 HydrophobicContact CB-CB 4.12Å; D707-P717 HydrophobicContact CB-CG 4.32Å |
| 708 | E | 86 | Confident | 84 | Confident | 96 Ų | 96 | 70.1 Ų | 70.1 | 45% | 0.449 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.4 | -35.5 | 175.5 | -66.3 | 179.5 | 176.7 | 0 | 0 | 112.4 | K662 Y664 P706 W710 T711 L712 | K662-E708 IonicContact NZ-OE1 2.73Å; K662-E708 PolarHBondContact NZ-OE1 2.65Å; K662-E708 IonicContact NZ-OE2 3.17Å; K662-E708 PolarHBondContact NZ-OE2 3.14Å; Y664-E708 WeakPolarHBondContact OH-CB 3.12Å; Y664-E708 PolarHBondContact OH-OE2 3.3Å; P706-E708 VanDerWaalsContact C-N 3.3Å; P706-E708 PolarHBondContact O-N 3.5Å; E708-W710 VanDerWaalsContact C-N 3.3Å; E708-W710 PolarHBondContact O-N 2.9Å; E708-T711 PolarHBondContact O-N 2.99Å; E708-L712 WeakPolarHBondContact O-CG 3.42Å; E708-L712 PolarHBondContact O-N 2.79Å; E708-L712 VanDerWaalsContact O-N 3.08Å |
| 709 | F | 88.6 | Confident | 83.1 | Confident | 1 Ų | 1 | 69.2 Ų | 69.2 | 0% | 0.004 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -62.9 | -38.5 | 179 | 173.5 | -98.1 | 0 | 0 | 0 | 111.6 | L649 L657 Y664 W666 F700 E705 P706 D707 L713 | L649-F709 HydrophobicContact CD1-CE1 4.41Å; L649-F709 HydrophobicContact CD1-CZ 4.41Å; L657-F709 HydrophobicContact CB-CE2 4.16Å; L657-F709 HydrophobicContact CD2-CD2 3.59Å; L657-F709 HydrophobicContact CD2-CE2 3.74Å; Y664-F709 HydrophobicContact CD1-CB 4.48Å; Y664-F709 HydrophobicContact CD1-CD2 4.45Å; Y664-F709 HydrophobicContact CD2-CD2 4.45Å; Y664-F709 HydrophobicContact CG-CD2 4.02Å; W666-F709 HydrophobicContact CB-CE2 4.17Å; W666-F709 HydrophobicContact CB-CZ 3.91Å; W666-F709 AromaticContact CD1-CE1 3.95Å; W666-F709 AromaticContact CD1-CZ 3.85Å; W666-F709 HydrophobicContact CG-CZ 4.01Å; F700-F709 HydrophobicContact CE2-CD1 4.26Å; F700-F709 HydrophobicContact CE2-CD2 4.24Å; F700-F709 HydrophobicContact CE2-CE1 4.47Å; F700-F709 HydrophobicContact CE2-CE2 4.44Å; F700-F709 HydrophobicContact CE2-CG 4.14Å; F700-F709 HydrophobicContact CZ-CB 4.22Å; F700-F709 HydrophobicContact CZ-CD1 4.42Å; F700-F709 AromaticContact CZ-CD2 3.66Å; F700-F709 HydrophobicContact CZ-CD2 3.66Å; F700-F709 HydrophobicContact CZ-CE2 4.06Å; F700-F709 AromaticContact CZ-CG 3.85Å; F700-F709 HydrophobicContact CZ-CG 3.85Å; E705-F709 HydrophobicContact CB-CD1 4.05Å; E705-F709 HydrophobicContact CG-CD1 4.12Å; E705-F709 HydrophobicContact CG-CE1 4.21Å; P706-F709 HydrophobicContact CG-CB 3.87Å; P706-F709 WeakPolarHBondContact O-CB 3.45Å; P706-F709 PolarHBondContact O-N 2.92Å; P706-F709 VanDerWaalsContact O-N 3.15Å; D707-F709 VanDerWaalsContact C-N 3.26Å; D707-F709 PolarHBondContact O-N 2.9Å; F709-L713 HydrophobicContact CD1-CD1 4.12Å; F709-L713 HydrophobicContact CE1-CD1 3.5Å; F709-L713 HydrophobicContact CE2-CD1 4.45Å; F709-L713 HydrophobicContact CZ-CD1 3.7Å; F709-L713 PolarHBondContact O-N 3.48Å |
| 710 | W | 86.2 | Confident | 81.9 | Confident | 8 Ų | 8 | 73.9 Ų | 73.9 | 3% | 0.03 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -71.4 | -40.8 | 178 | -61.1 | 113.3 | 0 | 0 | 0 | 112.1 | L646 E705 D707 E708 L712 L713 E715 P717 R721 | L646-W710 HydrophobicContact CD1-CH2 4.35Å; L646-W710 HydrophobicContact CD1-CZ3 3.66Å; E705-W710 HydrophobicContact CB-CZ2 3.63Å; E705-W710 HydrophobicContact CG-CH2 4.26Å; E705-W710 HydrophobicContact CG-CZ2 3.52Å; D707-W710 PolarHBondContact O-N 2.82Å; E708-W710 VanDerWaalsContact C-N 3.3Å; E708-W710 PolarHBondContact O-N 2.9Å; W710-L712 PolarHBondContact O-N 2.92Å; W710-L713 HydrophobicContact CE3-CD1 4.11Å; W710-L713 HydrophobicContact CZ3-CD1 4.14Å; W710-L713 PolarHBondContact O-N 3.43Å; W710-E715 CarbonylContact C-O 3.6Å; W710-E715 PolarHBondContact O-N 2.81Å; W710-E715 VanDerWaalsContact O-N 3.14Å; W710-E715 VanDerWaalsContact O-O 3.12Å; W710-P717 HydrophobicContact CB-CG 4.47Å; W710-R721 VanDerWaalsContact CG-CZ 3.49Å; W710-R721 VanDerWaalsContact CZ2-NH1 3.33Å |
| 711 | T | 85.8 | Confident | 80.8 | Confident | 83 Ų | 83 | 77.1 Ų | 77.1 | 51% | 0.509 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -57.4 | -40.4 | 175.8 | -51.7 | 0 | 0 | 0 | 0 | 111.2 | D707 E708 L713 N714 | D707-T711 PolarHBondContact O-N 3.3Å; D707-T711 PolarHBondContact O-OG1 3.45Å; D707-T711 VanDerWaalsContact O-OG1 3.09Å; E708-T711 PolarHBondContact O-N 2.99Å; T711-L713 VanDerWaalsContact C-N 3.31Å; T711-L713 PolarHBondContact O-N 3.2Å; T711-N714 PolarHBondContact O-N 2.8Å |
| 712 | L | 86.3 | Confident | 79.7 | Confident | 46 Ų | 46 | 79 Ų | 79 | 24% | 0.241 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -71 | -21 | 177.4 | -70.4 | 165.4 | 0 | 0 | 0 | 114.3 | V625 V644 L657 A659 Y664 E708 W710 N714 | V625-L712 HydrophobicContact CG2-CD2 3.82Å; V644-L712 WeakPolarHBondContact CG1-O 3.41Å; L657-L712 HydrophobicContact CD2-CB 3.85Å; L657-L712 HydrophobicContact CD2-CD1 4.05Å; A659-L712 HydrophobicContact CB-CD1 3.67Å; A659-L712 HydrophobicContact CB-CD2 4.02Å; Y664-L712 HydrophobicContact CD2-CD1 4.11Å; Y664-L712 HydrophobicContact CE2-CD1 3.37Å; E708-L712 WeakPolarHBondContact O-CG 3.42Å; E708-L712 PolarHBondContact O-N 2.79Å; E708-L712 VanDerWaalsContact O-N 3.08Å; W710-L712 PolarHBondContact O-N 2.92Å; L712-N714 VanDerWaalsContact C-N 3.26Å |
| 713 | L | 85.5 | Confident | 79.1 | Confident | 2 Ų | 2 | 80.6 Ų | 80.6 | 1% | 0.01 | 44% | 0.441 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | 9.9 | 173.5 | -70.1 | 175.9 | 0 | 0 | 0 | 113 | L627 V644 L649 L657 F709 W710 T711 E715 | L627-L713 HydrophobicContact CD2-CD2 4.22Å; V644-L713 HydrophobicContact CG1-CD2 3.88Å; L649-L713 HydrophobicContact CD1-CD1 4.05Å; L657-L713 HydrophobicContact CD1-CD2 4.26Å; F709-L713 HydrophobicContact CD1-CD1 4.12Å; F709-L713 HydrophobicContact CE1-CD1 3.5Å; F709-L713 HydrophobicContact CE2-CD1 4.45Å; F709-L713 HydrophobicContact CZ-CD1 3.7Å; F709-L713 PolarHBondContact O-N 3.48Å; W710-L713 HydrophobicContact CE3-CD1 4.11Å; W710-L713 HydrophobicContact CZ3-CD1 4.14Å; W710-L713 PolarHBondContact O-N 3.43Å; T711-L713 VanDerWaalsContact C-N 3.31Å; T711-L713 PolarHBondContact O-N 3.2Å; L713-E715 VanDerWaalsContact C-N 3.27Å; L713-E715 PolarHBondContact O-N 3.1Å |
| 714 | N | 80.9 | Confident | 79 | Confident | 141 Ų | 141 | 79.2 Ų | 79.2 | 75% | 0.754 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.8 | 29.7 | -173.6 | -57.3 | -44.3 | 0 | 0 | 0 | 114 | T711 L712 | T711-N714 PolarHBondContact O-N 2.8Å; L712-N714 VanDerWaalsContact C-N 3.26Å |
| 715 | E | 77.7 | Confident | 78.7 | Confident | 74 Ų | 74 | 76.1 Ų | 76.1 | 35% | 0.346 | 41% | 0.414 | S | S | . | . | trans | -117 | 145.7 | 179.7 | -71.4 | -69.8 | 170 | 0 | 0 | 111.1 | L646 W710 L713 P717 | L646-E715 HydrophobicContact CB-CG 4.26Å; W710-E715 CarbonylContact C-O 3.6Å; W710-E715 PolarHBondContact O-N 2.81Å; W710-E715 VanDerWaalsContact O-N 3.14Å; W710-E715 VanDerWaalsContact O-O 3.12Å; L713-E715 VanDerWaalsContact C-N 3.27Å; L713-E715 PolarHBondContact O-N 3.1Å; E715-P717 WeakPolarHBondContact O-CD 3.45Å | ||
| 716 | D | 76.6 | Confident | 78.4 | Confident | 93 Ų | 93 | 77.9 Ų | 77.9 | 50% | 0.497 | 42% | 0.422 | S | S | . | . | trans | -70.4 | 126 | 175.4 | -171 | -17.1 | 0 | 0 | 0 | 110 | N718 A719 R721 | D716-N718 PolarHBondContact O-N 3Å; D716-N718 VanDerWaalsContact O-N 3.13Å; D716-N718 PolarHBondContact OD1-N 3.43Å; D716-A719 HydrophobicContact CB-CB 4.15Å; D716-A719 PolarHBondContact O-N 3.15Å; D716-R721 PolarHBondContact O-NH2 3.26Å | ||
| 717 | P | 69 | Low | 78 | Confident | 37 Ų | 37 | 81.3 Ų | 81.3 | 24% | 0.24 | 44% | 0.436 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | -31.3 | 172.8 | -28.6 | 35.9 | 0 | 0 | 0 | 114 | D707 W710 E715 R721 | D707-P717 HydrophobicContact CB-CB 4.12Å; D707-P717 HydrophobicContact CB-CG 4.32Å; W710-P717 HydrophobicContact CB-CG 4.47Å; E715-P717 WeakPolarHBondContact O-CD 3.45Å; P717-R721 VanDerWaalsContact C-NH2 3.33Å; P717-R721 VanDerWaalsContact CA-NH2 3.26Å; P717-R721 PolarHBondContact O-NH2 2.65Å |
| 718 | N | 71.2 | Confident | 77.4 | Confident | 144 Ų | 144 | 77.5 Ų | 77.5 | 77% | 0.77 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | -2.7 | -173.4 | -68.8 | -38.9 | 0 | 0 | 0 | 115.2 | D716 | D716-N718 PolarHBondContact O-N 3Å; D716-N718 VanDerWaalsContact O-N 3.13Å; D716-N718 PolarHBondContact OD1-N 3.43Å |
| 719 | A | 71.3 | Confident | 76.5 | Confident | 45 Ų | 45 | 77.1 Ų | 77.1 | 37% | 0.372 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -71.3 | 143.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | D716 R721 | D716-A719 HydrophobicContact CB-CB 4.15Å; D716-A719 PolarHBondContact O-N 3.15Å; A719-R721 WeakPolarHBondContact O-CG 3.31Å; A719-R721 PolarHBondContact O-N 3Å; A719-R721 VanDerWaalsContact O-N 3.11Å |
| 720 | I | 64.5 | Low | 75.2 | Confident | 178 Ų | 178 | 84.2 Ų | 84.2 | 91% | 0.913 | 46% | 0.462 | S | S | * | . | trans | -68.6 | 107 | 170.4 | -59.9 | 172.8 | 0 | 0 | 0 | 107.8 | ||||
| 721 | R | 65.9 | Low | 73.6 | Confident | 85 Ų | 85 | 93.5 Ų | 93.5 | 32% | 0.321 | 50% | 0.502 | S | S | . | . | P | Polyproline II helix | trans | -85.4 | 141.4 | -175.6 | -58.3 | -175.6 | -174.1 | 112.8 | 16.7 | 112.3 | W710 D716 P717 A719 | W710-R721 VanDerWaalsContact CG-CZ 3.49Å; W710-R721 VanDerWaalsContact CZ2-NH1 3.33Å; D716-R721 PolarHBondContact O-NH2 3.26Å; P717-R721 VanDerWaalsContact C-NH2 3.33Å; P717-R721 VanDerWaalsContact CA-NH2 3.26Å; P717-R721 PolarHBondContact O-NH2 2.65Å; A719-R721 WeakPolarHBondContact O-CG 3.31Å; A719-R721 PolarHBondContact O-N 3Å; A719-R721 VanDerWaalsContact O-N 3.11Å |
| 722 | E | 65.2 | Low | 72.1 | Confident | 172 Ų | 172 | 96 Ų | 96 | 80% | 0.804 | 50% | 0.502 | S | S | * | . | P | Polyproline II helix | trans | -65.1 | 149.5 | 163.1 | -65.4 | -172.6 | 170.2 | 0 | 0 | 110.5 | I724 | E722-I724 PolarHBondContact O-N 3.1Š|
| 723 | A | 72 | Confident | 70.5 | Confident | 86 Ų | 86 | 102.6 Ų | 102.6 | 71% | 0.711 | 53% | 0.529 | S | S | * | . | P | Polyproline II helix | trans | -65.4 | 127.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | V725 | A723-V725 WeakPolarHBondContact O-CG2 3.31Å; A723-V725 PolarHBondContact O-N 3.13Å |
| 724 | I | 79.5 | Confident | 69.2 | Low | 29 Ų | 29 | 108.7 Ų | 108.7 | 15% | 0.149 | 56% | 0.557 | C | S | . | * | trans | -58.1 | 112.2 | 175.6 | -55.9 | 172.3 | 0 | 0 | 0 | 109.2 | L646 L649 P651 W666 E722 | L646-I724 HydrophobicContact CD1-CG1 4.4Å; L649-I724 HydrophobicContact CB-CD1 4.28Å; L649-I724 HydrophobicContact CB-CG2 3.9Å; L649-I724 HydrophobicContact CD1-CD1 4.05Å; L649-I724 WeakPolarHBondContact O-CG2 3.43Å; P651-I724 HydrophobicContact CG-CB 4.49Å; P651-I724 HydrophobicContact CG-CG2 4.14Å; P651-I724 WeakPolarHBondContact CG-O 3.24Å; W666-I724 HydrophobicContact CH2-CD1 4.34Å; W666-I724 HydrophobicContact CZ2-CD1 3.67Å; E722-I724 PolarHBondContact O-N 3.1Å | ||
| 725 | V | 81.5 | Confident | 68.6 | Low | 106 Ų | 106 | 107.1 Ų | 107.1 | 64% | 0.642 | 55% | 0.545 | S | S | * | . | trans | -100.1 | 151.7 | -175.7 | -168.3 | 0 | 0 | 0 | 0 | 111.5 | A723 H727 | A723-V725 WeakPolarHBondContact O-CG2 3.31Å; A723-V725 PolarHBondContact O-N 3.13Å; V725-H727 PolarHBondContact O-N 3.47Å; V725-H727 PolarHBondContact O-ND1 2.87Å | ||
| 726 | E | 81.1 | Confident | 68.5 | Low | 70 Ų | 70 | 110.9 Ų | 110.9 | 33% | 0.327 | 56% | 0.556 | S | S | . | * | trans | -68.3 | 113.1 | 170.1 | -61.5 | -175.1 | -170.3 | 0 | 0 | 111 | R652 R670 | R652-E726 WeakPolarHBondContact CD-OE2 3.32Å; R652-E726 HydrophobicContact CG-CG 4.14Å; R652-E726 IonicContact CZ-OE2 3.27Å; R652-E726 IonicContact NE-OE2 3.61Å; R652-E726 PolarHBondContact NE-OE2 3.03Å; R652-E726 IonicContact NH1-OE2 3.83Å; R652-E726 PolarHBondContact NH1-OE2 3Å; R670-E726 WeakPolarHBondContact CD-OE1 3.35Å; R670-E726 IonicContact CZ-OE1 3.51Å; R670-E726 IonicContact NE-OE1 3.86Å; R670-E726 IonicContact NH1-OE1 3.19Å; R670-E726 PolarHBondContact NH1-OE1 2.84Å | ||
| 727 | H | 77.7 | Confident | 69 | Low | 100 Ų | 100 | 108.1 Ų | 108.1 | 46% | 0.463 | 54% | 0.544 | S | S | . | . | trans | -121.7 | -20.4 | 179.8 | 60.9 | -86.2 | 0 | 0 | 0 | 112.8 | G647 L649 V725 S729 | G647-H727 PolarHBondContact O-CE1 3.05Å; G647-H727 PolarHBondContact O-NE2 3.33Å; L649-H727 PolarHBondContact O-CE1 2.92Å; V725-H727 PolarHBondContact O-N 3.47Å; V725-H727 PolarHBondContact O-ND1 2.87Å; H727-S729 PolarHBondContact O-N 3.11Å | ||
| 728 | V | 73.2 | Confident | 69.9 | Low | 32 Ų | 32 | 107.5 Ų | 107.5 | 19% | 0.194 | 54% | 0.537 | C | S | . | . | S | Bend | trans | -72.5 | 122.4 | -177.5 | -175.8 | 0 | 0 | 0 | 0 | 110.9 | D650 R652 F653 L730 | D650-V728 HydrophobicContact CB-CG2 4.23Å; D650-V728 PolarHBondContact OD2-N 2.97Å; R652-V728 PolarHBondContact NH2-O 3.16Å; F653-V728 HydrophobicContact CE2-CB 4.4Å; V728-L730 PolarHBondContact O-N 2.91Å |
| 729 | S | 66.6 | Low | 71 | Confident | 88 Ų | 88 | 100.7 Ų | 100.7 | 62% | 0.615 | 50% | 0.5 | S | S | * | . | trans | -72.4 | 125.2 | 177.9 | -76 | 0 | 0 | 0 | 0 | 111.9 | H727 K731 R732 | H727-S729 PolarHBondContact O-N 3.11Å; S729-K731 PolarHBondContact O-N 3.3Å; S729-K731 VanDerWaalsContact O-N 3.1Å; S729-R732 PolarHBondContact O-N 3.07Å | ||
| 730 | L | 60.7 | Low | 71.9 | Confident | 150 Ų | 150 | 98.6 Ų | 98.6 | 79% | 0.785 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -15.7 | 177.8 | -69.2 | 171.4 | 0 | 0 | 0 | 114.1 | V728 | V728-L730 PolarHBondContact O-N 2.91Š|
| 731 | K | 52.8 | Low | 73.2 | Confident | 202 Ų | 202 | 92.5 Ų | 92.5 | 88% | 0.878 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.3 | 26 | -179.2 | -65.9 | -174.2 | 179.8 | 178.1 | 0 | 113.5 | S729 K733 | S729-K731 PolarHBondContact O-N 3.3Å; S729-K731 VanDerWaalsContact O-N 3.1Å; K731-K733 PolarHBondContact O-N 2.73Å |
| 732 | R | 55.3 | Low | 74.3 | Confident | 135 Ų | 135 | 88.7 Ų | 88.7 | 51% | 0.509 | 44% | 0.437 | S | S | . | . | trans | -55.1 | 126.7 | 176.5 | -160.8 | 172.8 | -171.5 | -169 | -1.6 | 109.1 | E640 S729 E734 | E640-R732 IonicContact OE1-CZ 2.88Å; E640-R732 IonicContact OE1-NH1 3.5Å; E640-R732 PolarHBondContact OE1-NH1 3.34Å; E640-R732 IonicContact OE1-NH2 3.22Å; E640-R732 IonicContact OE2-NH1 3.67Å; E640-R732 PolarHBondContact OE2-NH1 3Å; S729-R732 PolarHBondContact O-N 3.07Å; R732-E734 PolarHBondContact O-N 3.47Å | ||
| 733 | K | 52.7 | Low | 75.2 | Confident | 185 Ų | 185 | 82 Ų | 82 | 80% | 0.804 | 41% | 0.408 | S | S | * | . | trans | -60.2 | 102.7 | 171.2 | -86.1 | -179.4 | 178.6 | 173.9 | 0 | 106.8 | K731 Q735 | K731-K733 PolarHBondContact O-N 2.73Å; K733-Q735 PolarHBondContact O-N 3.38Å; K733-Q735 VanDerWaalsContact O-N 3.08Å | ||
| 734 | E | 58.4 | Low | 75.5 | Confident | 130 Ų | 130 | 80.3 Ų | 80.3 | 61% | 0.607 | 39% | 0.387 | S | S | * | . | trans | -59.7 | 113.1 | -179.8 | -67.2 | -179.5 | -162.3 | 0 | 0 | 110 | R638 R732 R736 | R638-E734 IonicContact NH1-OE2 2.69Å; R638-E734 PolarHBondContact NH1-OE2 3.45Å; R732-E734 PolarHBondContact O-N 3.47Å; E734-R736 PolarHBondContact O-N 3.47Å | ||
| 735 | Q | 66.9 | Low | 74.9 | Confident | 108 Ų | 108 | 80.8 Ų | 80.8 | 51% | 0.505 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -72.9 | 118.1 | 171 | -66 | -153.4 | 16.4 | 0 | 0 | 108.8 | K733 H777 | K733-Q735 PolarHBondContact O-N 3.38Å; K733-Q735 VanDerWaalsContact O-N 3.08Å; Q735-H777 VanDerWaalsContact OE1-CB 3.32Å; Q735-H777 VanDerWaalsContact OE1-CG 3.23Å; Q735-H777 PolarHBondContact OE1-ND1 2.88Å |
| 736 | R | 76.6 | Confident | 74.1 | Confident | 153 Ų | 153 | 83.4 Ų | 83.4 | 58% | 0.577 | 41% | 0.406 | S | S | * | . | P | Polyproline II helix | trans | -78.4 | 137.6 | 179.1 | -68.1 | -174.8 | 177 | -156.5 | -3 | 109.7 | E734 | E734-R736 PolarHBondContact O-N 3.47Š|
| 737 | P | 86.4 | Confident | 73.4 | Confident | 36 Ų | 36 | 82.4 Ų | 82.4 | 23% | 0.234 | 42% | 0.415 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 144.7 | 177.3 | 29.3 | -35.9 | 0 | 0 | 0 | 110.9 | L761 L774 D775 | P737-L761 HydrophobicContact CB-CD1 3.82Å; P737-L761 HydrophobicContact CG-CD1 3.55Å; P737-L761 HydrophobicContact CG-CG 4.14Å; P737-L774 HydrophobicContact CB-CD1 4.02Å; P737-D775 CarbonylContact C-O 3.52Å; P737-D775 VanDerWaalsContact CA-O 3.3Å; P737-D775 WeakPolarHBondContact CA-O 3.33Å |
| 738 | R | 89.2 | Confident | 73.4 | Confident | 23 Ų | 23 | 82.3 Ų | 82.3 | 9% | 0.087 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 134.3 | -179.7 | -57.3 | 178.7 | -165.4 | 117.7 | -1.7 | 108.4 | R17 N18 Y740 D775 | R17-R738 PolarHBondContact O-NE 2.76Å; R17-R738 PolarHBondContact O-NH2 3.45Å; N18-R738 PolarHBondContact OD1-NH1 3.2Å; N18-R738 PolarHBondContact OD1-NH2 3.2Å; R738-Y740 HydrophobicContact CB-CE2 3.81Å; R738-D775 HydrophobicContact CB-CB 4.3Å; R738-D775 PolarHBondContact N-O 3.02Å; R738-D775 IonicContact NH1-OD2 3.19Å; R738-D775 PolarHBondContact NH1-OD2 2.66Å; R738-D775 PolarHBondContact O-N 2.96Å |
| 739 | L | 92.7 | Very high | 74 | Confident | 1 Ų | 1 | 81.1 Ų | 81.1 | 1% | 0.005 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 115.6 | 179.6 | -175.7 | 66.6 | 0 | 0 | 0 | 108.8 | Q753 V754 V756 L761 M765 L766 Y772 L774 | L739-Q753 CarbonylContact O-C 3.6Å; L739-Q753 WeakPolarHBondContact O-CA 3.25Å; L739-Q753 WeakPolarHBondContact O-CG 3.4Å; L739-V754 HydrophobicContact CB-CB 4.3Å; L739-V754 HydrophobicContact CD2-CB 4.01Å; L739-V754 HydrophobicContact CD2-CG1 4.27Å; L739-V754 HydrophobicContact CD2-CG2 4.2Å; L739-V754 HydrophobicContact CG-CB 4.22Å; L739-V754 HydrophobicContact CG-CG2 4.25Å; L739-V754 PolarHBondContact O-N 3.28Å; L739-V756 HydrophobicContact CB-CG2 4.4Å; L739-L761 HydrophobicContact CB-CD2 4.13Å; L739-L761 HydrophobicContact CD2-CD2 4.29Å; L739-M765 HydrophobicContact CD2-CB 4.07Å; L739-L766 HydrophobicContact CD1-CD2 4.09Å; L739-L766 HydrophobicContact CD2-CD2 4.16Å; L739-Y772 HydrophobicContact CD1-CD1 4.34Å; L739-Y772 HydrophobicContact CD1-CG 4.4Å; L739-Y772 HydrophobicContact CD2-CD1 4.37Å; L739-Y772 HydrophobicContact CG-CD1 4.18Å; L739-L774 HydrophobicContact CD1-CB 4.04Å; L739-L774 HydrophobicContact CD1-CD1 4.33Å |
| 740 | Y | 92.1 | Very high | 75.1 | Confident | 1 Ų | 1 | 79.1 Ų | 79.1 | 0% | 0.004 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 142.2 | 175.5 | -59.9 | -89.7 | 0 | 0 | 0 | 109.5 | D14 R738 L751 P752 Y772 I773 D775 | D14-Y740 WeakPolarHBondContact O-CE1 3.39Å; R738-Y740 HydrophobicContact CB-CE2 3.81Å; Y740-L751 HydrophobicContact CD1-CB 4.49Å; Y740-P752 WeakPolarHBondContact CA-O 3.49Å; Y740-Y772 CarbonylContact O-C 3.5Å; Y740-Y772 WeakPolarHBondContact O-CA 3.48Å; Y740-Y772 WeakPolarHBondContact O-CB 3.24Å; Y740-Y772 WeakPolarHBondContact O-CD1 3.34Å; Y740-I773 PolarHBondContact N-O 3.01Å; Y740-I773 PolarHBondContact O-N 2.89Å; Y740-D775 HydrophobicContact CD2-CB 4.45Å; Y740-D775 HydrophobicContact CE2-CB 3.98Å |
| 741 | Q | 91.3 | Very high | 76.5 | Confident | 51 Ų | 51 | 72 Ų | 72 | 24% | 0.238 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 127.8 | 168.1 | -177.3 | 177.8 | -10.4 | 0 | 0 | 108.4 | P752 V754 C770 Y772 | Q741-P752 HydrophobicContact CB-CG 4.32Å; Q741-P752 PolarHBondContact N-O 3.16Å; Q741-P752 VanDerWaalsContact O-CD 3.31Å; Q741-P752 WeakPolarHBondContact O-CD 3.38Å; Q741-V754 HydrophobicContact CB-CG2 4.27Å; Q741-C770 HydrophobicContact CG-CB 4.49Å; Q741-C770 PolarHBondContact NE2-SG 2.98Å; Q741-Y772 HydrophobicContact CB-CD1 3.8Å; Q741-Y772 HydrophobicContact CB-CE1 3.7Å; Q741-Y772 HydrophobicContact CG-CD1 4.12Å; Q741-Y772 HydrophobicContact CG-CE1 3.74Å |
| 742 | V | 89 | Confident | 78.4 | Confident | 5 Ų | 5 | 63.9 Ų | 63.9 | 3% | 0.03 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 109.1 | 172.4 | -172.3 | 0 | 0 | 0 | 0 | 107.1 | L749 L751 V771 I773 V804 L811 | V742-L749 HydrophobicContact CG1-CD1 3.63Å; V742-L751 HydrophobicContact CG2-CD2 4.1Å; V742-V771 HydrophobicContact CB-CB 4.13Å; V742-V771 HydrophobicContact CB-CG1 4.12Å; V742-V771 HydrophobicContact CG2-CG1 4.08Å; V742-V771 PolarHBondContact N-O 2.93Å; V742-I773 HydrophobicContact CG2-CD1 3.74Å; V742-I773 HydrophobicContact CG2-CG1 3.75Å; V742-V804 HydrophobicContact CG1-CG1 4Å; V742-L811 HydrophobicContact CG1-CD1 4.21Å |
| 743 | C | 84.1 | Confident | 80.2 | Confident | 30 Ų | 30 | 58.8 Ų | 58.8 | 20% | 0.203 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 154.2 | 179.8 | 51.9 | 0 | 0 | 0 | 0 | 111.9 | E750 P752 | C743-E750 PolarHBondContact N-O 3Å; C743-E750 VanDerWaalsContact N-O 3.11Å; C743-E750 PolarHBondContact O-N 2.97Å; C743-P752 VanDerWaalsContact SG-CD 3.53Å |
| 744 | L | 76.9 | Confident | 81.9 | Confident | 52 Ų | 52 | 51.5 Ų | 51.5 | 27% | 0.272 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 112.2 | 165.7 | -65.8 | 172.8 | 0 | 0 | 0 | 107.4 | Y748 L749 L800 V804 | L744-Y748 CarbonylContact C-O 3.53Å; L744-Y748 VanDerWaalsContact CA-O 3.24Å; L744-Y748 WeakPolarHBondContact CA-O 3.24Å; L744-L749 HydrophobicContact CD2-CD1 4.33Å; L744-L800 HydrophobicContact CD1-CD1 4.07Å; L744-L800 HydrophobicContact CD1-CD2 3.66Å; L744-L800 HydrophobicContact CD1-CG 3.53Å; L744-V804 HydrophobicContact CD1-CG2 3.24Å; L744-V804 HydrophobicContact CD2-CG2 4.34Å; L744-V804 HydrophobicContact CG-CG2 3.55Å |
| 745 | G | 67 | Low | 82.9 | Confident | 38 Ų | 38 | 56 Ų | 56 | 39% | 0.392 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -73.2 | -105.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | G747 Y748 | G745-G747 PolarHBondContact O-N 3Å; G745-Y748 PolarHBondContact N-O 3.39Å |
| 746 | M | 65.3 | Low | 83.4 | Confident | 162 Ų | 162 | 51.8 Ų | 51.8 | 80% | 0.798 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -78.1 | 45.7 | 173.5 | -63 | -67.1 | 132 | 0 | 0 | 112.4 | Y748 | M746-Y748 VanDerWaalsContact C-N 3.27Å; M746-Y748 HydrophobicContact CB-CD2 4.45Å; M746-Y748 WeakPolarHBondContact O-CD2 3.3Å; M746-Y748 WeakPolarHBondContact O-CE2 3.15Å; M746-Y748 PolarHBondContact O-N 3.42Å |
| 747 | G | 66.8 | Low | 83.2 | Confident | 49 Ų | 49 | 47.8 Ų | 47.8 | 51% | 0.505 | 25% | 0.253 | S | S | . | . | S | Bend | trans | 78.7 | 2.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | G745 | G745-G747 PolarHBondContact O-N 3Š|
| 748 | Y | 78.4 | Confident | 82.4 | Confident | 97 Ų | 97 | 57.5 Ų | 57.5 | 38% | 0.38 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -113.4 | 158.8 | 177.4 | -59.5 | -88 | 0 | 0 | 0 | 112.5 | R11 L744 G745 M746 | R11-Y748 HydrophobicContact CG-CD1 4.16Å; R11-Y748 HydrophobicContact CG-CD2 4.23Å; R11-Y748 HydrophobicContact CG-CG 3.65Å; L744-Y748 CarbonylContact C-O 3.53Å; L744-Y748 VanDerWaalsContact CA-O 3.24Å; L744-Y748 WeakPolarHBondContact CA-O 3.24Å; G745-Y748 PolarHBondContact N-O 3.39Å; M746-Y748 VanDerWaalsContact C-N 3.27Å; M746-Y748 HydrophobicContact CB-CD2 4.45Å; M746-Y748 WeakPolarHBondContact O-CD2 3.3Å; M746-Y748 WeakPolarHBondContact O-CE2 3.15Å; M746-Y748 PolarHBondContact O-N 3.42Å |
| 749 | L | 85.4 | Confident | 81.5 | Confident | 7 Ų | 7 | 64.4 Ų | 64.4 | 4% | 0.037 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 128.9 | -170.9 | -163.8 | 61.6 | 0 | 0 | 0 | 112.1 | V6 F9 V10 R11 V742 L744 A807 L811 | V6-L749 HydrophobicContact CG1-CD2 3.38Å; F9-L749 PolarHBondContact O-N 3.41Å; V10-L749 CarbonylContact C-O 3.56Å; V10-L749 VanDerWaalsContact CA-O 3.31Å; V10-L749 WeakPolarHBondContact CA-O 3.43Å; V10-L749 HydrophobicContact CG2-CD2 4.13Å; R11-L749 PolarHBondContact N-O 3.26Å; V742-L749 HydrophobicContact CG1-CD1 3.63Å; L744-L749 HydrophobicContact CD2-CD1 4.33Å; L749-A807 HydrophobicContact CD1-CB 4.14Å; L749-A807 HydrophobicContact CD2-CB 3.94Å; L749-L811 HydrophobicContact CD1-CD1 3.91Å; L749-L811 HydrophobicContact CD2-CD1 3.26Å; L749-L811 HydrophobicContact CD2-CD2 3.88Å; L749-L811 HydrophobicContact CD2-CG 3.6Å; L749-L811 HydrophobicContact CG-CD1 3.6Å; L749-L811 HydrophobicContact CG-CG 4.46Å |
| 750 | E | 88.4 | Confident | 80.7 | Confident | 46 Ų | 46 | 65.6 Ų | 65.6 | 22% | 0.215 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 147.3 | 176 | -64.3 | -177.3 | -153.8 | 0 | 0 | 110.7 | R11 G12 W37 C743 P752 | R11-E750 HydrophobicContact CB-CG 4.24Å; G12-E750 CarbonylContact O-C 3.36Å; G12-E750 WeakPolarHBondContact O-CA 3.4Å; W37-E750 HydrophobicContact CZ2-CB 4.35Å; W37-E750 PolarHBondContact NE1-OE2 2.83Å; C743-E750 PolarHBondContact N-O 3Å; C743-E750 VanDerWaalsContact N-O 3.11Å; C743-E750 PolarHBondContact O-N 2.97Å; E750-P752 VanDerWaalsContact C-CD 3.4Å |
| 751 | L | 91.8 | Very high | 80.4 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 64.6 | -177.2 | -81.3 | 163.3 | 0 | 0 | 0 | 112 | G12 I13 D14 Y740 V742 I773 L811 | G12-L751 PolarHBondContact O-N 2.98Å; I13-L751 HydrophobicContact CB-CB 4.48Å; I13-L751 HydrophobicContact CD1-CB 4.45Å; I13-L751 HydrophobicContact CD1-CD1 3.84Å; I13-L751 HydrophobicContact CG1-CB 4.02Å; I13-L751 HydrophobicContact CG1-CD1 4.32Å; D14-L751 PolarHBondContact N-O 2.77Å; D14-L751 VanDerWaalsContact N-O 3.13Å; Y740-L751 HydrophobicContact CD1-CB 4.49Å; V742-L751 HydrophobicContact CG2-CD2 4.1Å; L751-I773 HydrophobicContact CD2-CD1 3.97Å; L751-L811 HydrophobicContact CD1-CD1 3.68Å; L751-L811 HydrophobicContact CD1-CD2 3.85Å; L751-L811 HydrophobicContact CD1-CG 4.25Å; L751-L811 HydrophobicContact CD2-CD1 4.06Å; L751-L811 HydrophobicContact CG-CD1 3.91Å |
| 752 | P | 91.6 | Very high | 80.1 | Confident | 32 Ų | 32 | 67.5 Ų | 67.5 | 21% | 0.208 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -67.3 | 141.9 | 170.2 | 28.3 | -35.1 | 0 | 0 | 0 | 112.4 | W37 Y740 Q741 C743 E750 | W37-P752 HydrophobicContact CH2-CB 4.05Å; W37-P752 HydrophobicContact CZ2-CB 4.25Å; Y740-P752 WeakPolarHBondContact CA-O 3.49Å; Q741-P752 HydrophobicContact CB-CG 4.32Å; Q741-P752 PolarHBondContact N-O 3.16Å; Q741-P752 VanDerWaalsContact O-CD 3.31Å; Q741-P752 WeakPolarHBondContact O-CD 3.38Å; C743-P752 VanDerWaalsContact SG-CD 3.53Å; E750-P752 VanDerWaalsContact C-CD 3.4Å |
| 753 | Q | 92.4 | Very high | 79.9 | Confident | 28 Ų | 28 | 71.7 Ų | 71.7 | 13% | 0.131 | 36% | 0.355 | C | S | . | . | B | Isolated β-bridge | trans | -85.1 | 128.1 | 173.2 | -169 | -179.4 | 79.6 | 0 | 0 | 110.5 | D14 S16 L739 | D14-Q753 HydrophobicContact CB-CB 3.84Å; D14-Q753 WeakPolarHBondContact OD2-CB 3.42Å; S16-Q753 PolarHBondContact O-NE2 3.01Å; L739-Q753 CarbonylContact O-C 3.6Å; L739-Q753 WeakPolarHBondContact O-CA 3.25Å; L739-Q753 WeakPolarHBondContact O-CG 3.4Å |
| 754 | V | 89.1 | Confident | 79.8 | Confident | 32 Ų | 32 | 76.8 Ų | 76.8 | 19% | 0.194 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -73.9 | 132.7 | 171.9 | -176.5 | 0 | 0 | 0 | 0 | 109 | L739 Q741 V756 M765 Y772 | L739-V754 HydrophobicContact CB-CB 4.3Å; L739-V754 HydrophobicContact CD2-CB 4.01Å; L739-V754 HydrophobicContact CD2-CG1 4.27Å; L739-V754 HydrophobicContact CD2-CG2 4.2Å; L739-V754 HydrophobicContact CG-CB 4.22Å; L739-V754 HydrophobicContact CG-CG2 4.25Å; L739-V754 PolarHBondContact O-N 3.28Å; Q741-V754 HydrophobicContact CB-CG2 4.27Å; V754-V756 PolarHBondContact O-N 3.3Å; V754-M765 HydrophobicContact CG1-CB 4.43Å; V754-Y772 HydrophobicContact CG2-CD1 4.13Å; V754-Y772 HydrophobicContact CG2-CE1 3.81Å |
| 755 | R | 80.1 | Confident | 80.3 | Confident | 226 Ų | 226 | 75.7 Ų | 75.7 | 85% | 0.853 | 37% | 0.374 | S | S | * | . | trans | -66.4 | 99.9 | -177.7 | -71.1 | -175.7 | 176.3 | -179.1 | 0.6 | 111.7 | T757 | R755-T757 PolarHBondContact O-N 3.38Š| ||
| 756 | V | 77.4 | Confident | 81.4 | Confident | 18 Ų | 18 | 74.8 Ų | 74.8 | 11% | 0.109 | 36% | 0.36 | C | S | . | . | trans | -73.5 | 118.6 | 170.9 | -171.2 | 0 | 0 | 0 | 0 | 109.9 | L739 V754 L761 | L739-V756 HydrophobicContact CB-CG2 4.4Å; V754-V756 PolarHBondContact O-N 3.3Å; V756-L761 HydrophobicContact CB-CD2 4.4Å; V756-L761 HydrophobicContact CG1-CD2 3.91Å; V756-L761 HydrophobicContact CG1-CG 4.06Å; V756-L761 HydrophobicContact CG2-CD2 3.6Å | ||
| 757 | T | 73 | Confident | 82.4 | Confident | 69 Ų | 69 | 72.5 Ų | 72.5 | 42% | 0.423 | 35% | 0.347 | S | S | . | . | B | Isolated β-bridge | trans | -69.8 | 164.5 | -179.3 | 71.7 | 0 | 0 | 0 | 0 | 112.1 | R755 K759 G760 M765 | R755-T757 PolarHBondContact O-N 3.38Å; T757-K759 PolarHBondContact O-N 3.05Å; T757-K759 PolarHBondContact OG1-N 2.81Å; T757-G760 PolarHBondContact O-N 2.83Å; T757-G760 VanDerWaalsContact O-N 3.14Å; T757-G760 PolarHBondContact OG1-O 3.19Å; T757-M765 HydrophobicContact CG2-CE 4.24Å |
| 758 | R | 69.5 | Low | 83.2 | Confident | 240 Ų | 240 | 71.2 Ų | 71.2 | 91% | 0.906 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -17 | 172.1 | -70.1 | -172.6 | -179.6 | -175.6 | 0.4 | 113.5 | G760 | R758-G760 VanDerWaalsContact C-N 3.34Š|
| 759 | K | 68.6 | Low | 83.3 | Confident | 169 Ų | 169 | 74.2 Ų | 74.2 | 74% | 0.735 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | 4.5 | 179.9 | -63.8 | -174.6 | 177.6 | -178.4 | 0 | 113.6 | T757 V844 | T757-K759 PolarHBondContact O-N 3.05Å; T757-K759 PolarHBondContact OG1-N 2.81Å; K759-V844 VanDerWaalsContact O-CG2 3.28Å; K759-V844 WeakPolarHBondContact O-CG2 3.39Å |
| 760 | G | 77.1 | Confident | 83.3 | Confident | 25 Ų | 25 | 74.9 Ų | 74.9 | 26% | 0.258 | 35% | 0.352 | S | S | . | . | B | Isolated β-bridge | trans | 93.9 | -176.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | T757 R758 | T757-G760 PolarHBondContact O-N 2.83Å; T757-G760 VanDerWaalsContact O-N 3.14Å; T757-G760 PolarHBondContact OG1-O 3.19Å; R758-G760 VanDerWaalsContact C-N 3.34Å |
| 761 | L | 85.3 | Confident | 83.3 | Confident | 1 Ų | 1 | 73 Ų | 73 | 1% | 0.005 | 34% | 0.344 | C | S | . | . | B | Isolated β-bridge | trans | -74.4 | 141.1 | 176.6 | -71.1 | 164.5 | 0 | 0 | 0 | 110.3 | P737 L739 V756 M765 L774 K842 F843 V844 | P737-L761 HydrophobicContact CB-CD1 3.82Å; P737-L761 HydrophobicContact CG-CD1 3.55Å; P737-L761 HydrophobicContact CG-CG 4.14Å; L739-L761 HydrophobicContact CB-CD2 4.13Å; L739-L761 HydrophobicContact CD2-CD2 4.29Å; V756-L761 HydrophobicContact CB-CD2 4.4Å; V756-L761 HydrophobicContact CG1-CD2 3.91Å; V756-L761 HydrophobicContact CG1-CG 4.06Å; V756-L761 HydrophobicContact CG2-CD2 3.6Å; L761-M765 HydrophobicContact CD2-SD 4.17Å; L761-L774 HydrophobicContact CD1-CD1 3.49Å; L761-L774 VanDerWaalsContact CD1-CD1 3.49Å; L761-L774 HydrophobicContact CD1-CD2 4.48Å; L761-K842 HydrophobicContact CD1-CB 4.49Å; L761-F843 HydrophobicContact CB-CB 4.49Å; L761-F843 HydrophobicContact CB-CD1 3.56Å; L761-F843 HydrophobicContact CB-CE1 3.92Å; L761-F843 HydrophobicContact CB-CG 4.03Å; L761-V844 WeakPolarHBondContact O-CB 3.48Å; L761-V844 WeakPolarHBondContact O-CG2 3.34Å; L761-V844 PolarHBondContact O-N 3.2Å |
| 762 | K | 85.4 | Confident | 83.3 | Confident | 91 Ų | 91 | 73 Ų | 73 | 40% | 0.396 | 34% | 0.344 | S | S | . | . | trans | -123.7 | 148.9 | 175.1 | -72.2 | -172.5 | 167 | -161.1 | 0 | 110.3 | D764 M765 | K762-D764 VanDerWaalsContact C-N 3.26Å; K762-D764 PolarHBondContact O-N 3.22Å; K762-M765 HydrophobicContact CB-CE 4.2Å; K762-M765 HydrophobicContact CB-CG 4.32Å; K762-M765 HydrophobicContact CG-CE 4.48Å; K762-M765 PolarHBondContact N-SD 3.17Å; K762-M765 VanDerWaalsContact O-CB 3.24Å; K762-M765 WeakPolarHBondContact O-CB 3.31Å; K762-M765 VanDerWaalsContact O-CG 3.31Å; K762-M765 WeakPolarHBondContact O-CG 3.3Å; K762-M765 PolarHBondContact O-N 3.17Å; K762-M765 VanDerWaalsContact O-N 3.07Å | ||
| 763 | Q | 84.1 | Confident | 83.3 | Confident | 94 Ų | 94 | 71.5 Ų | 71.5 | 44% | 0.439 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -55.3 | -41.3 | 178.2 | -176.3 | -175.5 | -2.8 | 0 | 0 | 112.1 | M765 L766 W846 | Q763-M765 PolarHBondContact O-N 3.35Å; Q763-L766 PolarHBondContact O-N 2.97Å; Q763-W846 HydrophobicContact CB-CD2 3.87Å; Q763-W846 HydrophobicContact CB-CE3 3.84Å; Q763-W846 HydrophobicContact CB-CG 4.24Å; Q763-W846 HydrophobicContact CB-CZ3 4.33Å; Q763-W846 HydrophobicContact CG-CD2 3.79Å; Q763-W846 HydrophobicContact CG-CE3 3.98Å; Q763-W846 HydrophobicContact CG-CG 4.37Å; Q763-W846 HydrophobicContact CG-CH2 4.12Å; Q763-W846 HydrophobicContact CG-CZ2 3.87Å; Q763-W846 HydrophobicContact CG-CZ3 4.18Å |
| 764 | D | 83.4 | Confident | 83.3 | Confident | 137 Ų | 137 | 70.2 Ų | 70.2 | 73% | 0.733 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -56.6 | -14.2 | 178.7 | -50.7 | -22.7 | 0 | 0 | 0 | 114.5 | K762 L766 | K762-D764 VanDerWaalsContact C-N 3.26Å; K762-D764 PolarHBondContact O-N 3.22Å; D764-L766 VanDerWaalsContact C-N 3.29Å |
| 765 | M | 87.3 | Confident | 83.4 | Confident | 29 Ų | 29 | 68.9 Ų | 68.9 | 14% | 0.143 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -73.7 | -21.7 | 174.7 | -60.2 | 178.7 | 178.2 | 0 | 0 | 112.5 | L739 V754 T757 L761 K762 Q763 Y772 | L739-M765 HydrophobicContact CD2-CB 4.07Å; V754-M765 HydrophobicContact CG1-CB 4.43Å; T757-M765 HydrophobicContact CG2-CE 4.24Å; L761-M765 HydrophobicContact CD2-SD 4.17Å; K762-M765 HydrophobicContact CB-CE 4.2Å; K762-M765 HydrophobicContact CB-CG 4.32Å; K762-M765 HydrophobicContact CG-CE 4.48Å; K762-M765 PolarHBondContact N-SD 3.17Å; K762-M765 VanDerWaalsContact O-CB 3.24Å; K762-M765 WeakPolarHBondContact O-CB 3.31Å; K762-M765 VanDerWaalsContact O-CG 3.31Å; K762-M765 WeakPolarHBondContact O-CG 3.3Å; K762-M765 PolarHBondContact O-N 3.17Å; K762-M765 VanDerWaalsContact O-N 3.07Å; Q763-M765 PolarHBondContact O-N 3.35Å; M765-Y772 PolarHBondContact O-OH 3.13Å |
| 766 | L | 89.1 | Confident | 83.8 | Confident | 19 Ų | 19 | 59.2 Ų | 59.2 | 10% | 0.099 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -95.1 | 114.7 | 178.7 | -60.8 | 173.5 | 0 | 0 | 0 | 109.8 | L739 Q763 D764 Y772 W783 F839 F843 W846 | L739-L766 HydrophobicContact CD1-CD2 4.09Å; L739-L766 HydrophobicContact CD2-CD2 4.16Å; Q763-L766 PolarHBondContact O-N 2.97Å; D764-L766 VanDerWaalsContact C-N 3.29Å; L766-Y772 HydrophobicContact CB-CD2 4.49Å; L766-Y772 HydrophobicContact CB-CE2 4.38Å; L766-Y772 HydrophobicContact CD2-CD1 4.26Å; L766-Y772 HydrophobicContact CD2-CD2 3.5Å; L766-Y772 VanDerWaalsContact CD2-CD2 3.5Å; L766-Y772 HydrophobicContact CD2-CE2 4.08Å; L766-Y772 HydrophobicContact CD2-CG 3.6Å; L766-W783 HydrophobicContact CB-CD2 4.43Å; L766-W783 HydrophobicContact CB-CE3 4.39Å; L766-W783 HydrophobicContact CB-CH2 3.89Å; L766-W783 HydrophobicContact CB-CZ2 3.98Å; L766-W783 HydrophobicContact CB-CZ3 4.12Å; L766-W783 HydrophobicContact CD1-CD2 4.09Å; L766-W783 HydrophobicContact CD1-CG 4.19Å; L766-W783 HydrophobicContact CD1-CZ2 4.36Å; L766-W783 HydrophobicContact CD2-CD2 4.27Å; L766-W783 HydrophobicContact CD2-CE3 4.27Å; L766-F839 HydrophobicContact CD1-CE1 4.06Å; L766-F839 HydrophobicContact CD1-CZ 4Å; L766-F843 HydrophobicContact CD1-CE1 3.86Å; L766-F843 HydrophobicContact CD1-CE2 4.47Å; L766-F843 HydrophobicContact CD1-CZ 3.67Å; L766-F843 HydrophobicContact CD2-CZ 4.49Å; L766-F843 HydrophobicContact CG-CE1 4.12Å; L766-F843 HydrophobicContact CG-CZ 4.23Å; L766-W846 HydrophobicContact CD1-CH2 3.3Å; L766-W846 HydrophobicContact CD1-CZ3 3.37Å |
| 767 | Q | 86.5 | Confident | 84.1 | Confident | 113 Ų | 113 | 60.5 Ų | 60.5 | 53% | 0.528 | 29% | 0.291 | S | S | . | . | trans | -96.7 | 133.5 | 177.8 | -61.9 | -179.5 | 2 | 0 | 0 | 111.5 | K769 C770 Y772 W783 | Q767-K769 PolarHBondContact O-N 2.89Å; Q767-C770 HydrophobicContact CB-CB 4.42Å; Q767-C770 PolarHBondContact O-N 2.73Å; Q767-Y772 WeakPolarHBondContact CB-OH 3.06Å; Q767-Y772 VanDerWaalsContact N-CE2 3.32Å; Q767-Y772 PolarHBondContact N-OH 3.31Å; Q767-W783 WeakPolarHBondContact O-CZ3 2.98Å | ||
| 768 | A | 82.6 | Confident | 84.5 | Confident | 23 Ų | 23 | 57.5 Ų | 57.5 | 19% | 0.19 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -21.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | G785 K786 K787 S788 E832 | A768-G785 CarbonylContact O-C 3.42Å; A768-G785 WeakPolarHBondContact O-CA 3.19Å; A768-K786 PolarHBondContact O-N 3Å; A768-K787 HydrophobicContact CB-CB 4.06Å; A768-K787 HydrophobicContact CB-CD 4.19Å; A768-K787 HydrophobicContact CB-CG 4.01Å; A768-K787 CarbonylContact O-C 3.54Å; A768-K787 VanDerWaalsContact O-C 3.31Å; A768-K787 VanDerWaalsContact O-CA 3.27Å; A768-K787 WeakPolarHBondContact O-CA 3.46Å; A768-K787 WeakPolarHBondContact O-CB 3.25Å; A768-K787 PolarHBondContact O-N 2.87Å; A768-S788 PolarHBondContact O-N 2.84Å; A768-E832 WeakPolarHBondContact CA-OE2 3.39Å; A768-E832 WeakPolarHBondContact CB-OE1 3.34Å; A768-E832 WeakPolarHBondContact CB-OE2 3.42Å |
| 769 | K | 82 | Confident | 85.4 | Confident | 160 Ų | 160 | 46.1 Ų | 46.1 | 70% | 0.696 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -9.8 | 178.7 | -65.4 | -176.4 | 178.7 | -176.4 | 0 | 113.3 | Q767 K787 | Q767-K769 PolarHBondContact O-N 2.89Å; K769-K787 HydrophobicContact CG-CB 3.92Å; K769-K787 HydrophobicContact CG-CD 4.43Å |
| 770 | C | 84.4 | Confident | 86.4 | Confident | 21 Ų | 21 | 38 Ų | 38 | 14% | 0.142 | 20% | 0.195 | C | C | . | . | trans | -115.6 | 166.1 | -167.5 | -62.8 | 0 | 0 | 0 | 0 | 112.2 | Q741 Q767 Y772 W783 G785 | Q741-C770 HydrophobicContact CG-CB 4.49Å; Q741-C770 PolarHBondContact NE2-SG 2.98Å; Q767-C770 HydrophobicContact CB-CB 4.42Å; Q767-C770 PolarHBondContact O-N 2.73Å; C770-Y772 HydrophobicContact CB-CD2 4.26Å; C770-Y772 HydrophobicContact CB-CE2 3.47Å; C770-Y772 VanDerWaalsContact CB-CE2 3.47Å; C770-W783 WeakPolarHBondContact O-CZ3 3.26Å; C770-G785 PolarHBondContact O-N 3.14Å | ||
| 771 | V | 88.5 | Confident | 87.1 | Confident | 5 Ų | 5 | 37.1 Ų | 37.1 | 3% | 0.03 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 138.1 | 170.5 | 177.1 | 0 | 0 | 0 | 0 | 107.6 | V742 L782 W783 I784 V804 | V742-V771 HydrophobicContact CB-CB 4.13Å; V742-V771 HydrophobicContact CB-CG1 4.12Å; V742-V771 HydrophobicContact CG2-CG1 4.08Å; V742-V771 PolarHBondContact N-O 2.93Å; V771-L782 HydrophobicContact CG1-CD1 3.57Å; V771-L782 HydrophobicContact CG1-CG 4.31Å; V771-W783 CarbonylContact C-O 3.05Å; V771-W783 WeakPolarHBondContact CA-O 3.39Å; V771-W783 WeakPolarHBondContact CG1-O 3.07Å; V771-I784 HydrophobicContact CG1-CG1 4.35Å; V771-I784 HydrophobicContact CG2-CG2 4.34Å; V771-V804 HydrophobicContact CB-CG1 4.32Å; V771-V804 HydrophobicContact CG2-CG1 4.08Å |
| 772 | Y | 92.2 | Very high | 87.3 | Confident | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.008 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 148.6 | -178.4 | -63.4 | -90.3 | 0 | 0 | 0 | 111.4 | L739 Y740 Q741 V754 M765 L766 Q767 C770 L782 W783 | L739-Y772 HydrophobicContact CD1-CD1 4.34Å; L739-Y772 HydrophobicContact CD1-CG 4.4Å; L739-Y772 HydrophobicContact CD2-CD1 4.37Å; L739-Y772 HydrophobicContact CG-CD1 4.18Å; Y740-Y772 CarbonylContact O-C 3.5Å; Y740-Y772 WeakPolarHBondContact O-CA 3.48Å; Y740-Y772 WeakPolarHBondContact O-CB 3.24Å; Y740-Y772 WeakPolarHBondContact O-CD1 3.34Å; Q741-Y772 HydrophobicContact CB-CD1 3.8Å; Q741-Y772 HydrophobicContact CB-CE1 3.7Å; Q741-Y772 HydrophobicContact CG-CD1 4.12Å; Q741-Y772 HydrophobicContact CG-CE1 3.74Å; V754-Y772 HydrophobicContact CG2-CD1 4.13Å; V754-Y772 HydrophobicContact CG2-CE1 3.81Å; M765-Y772 PolarHBondContact O-OH 3.13Å; L766-Y772 HydrophobicContact CB-CD2 4.49Å; L766-Y772 HydrophobicContact CB-CE2 4.38Å; L766-Y772 HydrophobicContact CD2-CD1 4.26Å; L766-Y772 HydrophobicContact CD2-CD2 3.5Å; L766-Y772 VanDerWaalsContact CD2-CD2 3.5Å; L766-Y772 HydrophobicContact CD2-CE2 4.08Å; L766-Y772 HydrophobicContact CD2-CG 3.6Å; Q767-Y772 WeakPolarHBondContact CB-OH 3.06Å; Q767-Y772 VanDerWaalsContact N-CE2 3.32Å; Q767-Y772 PolarHBondContact N-OH 3.31Å; C770-Y772 HydrophobicContact CB-CD2 4.26Å; C770-Y772 HydrophobicContact CB-CE2 3.47Å; C770-Y772 VanDerWaalsContact CB-CE2 3.47Å; Y772-L782 CarbonylContact O-C 3.34Å; Y772-L782 WeakPolarHBondContact O-CA 3.38Å; Y772-W783 AromaticContact CD2-CE3 3.59Å; Y772-W783 HydrophobicContact CD2-CE3 3.59Å; Y772-W783 AromaticContact CD2-CZ3 3.76Å; Y772-W783 HydrophobicContact CD2-CZ3 3.76Å; Y772-W783 HydrophobicContact CE2-CE3 4.25Å; Y772-W783 AromaticContact CE2-CZ3 3.94Å; Y772-W783 HydrophobicContact CE2-CZ3 3.94Å; Y772-W783 PolarHBondContact N-O 3.13Å; Y772-W783 PolarHBondContact O-N 2.97Å |
| 773 | I | 92.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 114.4 | 168.9 | -57.6 | 169.6 | 0 | 0 | 0 | 107.6 | Y740 V742 L751 L780 F781 L782 L811 A812 L815 | Y740-I773 PolarHBondContact N-O 3.01Å; Y740-I773 PolarHBondContact O-N 2.89Å; V742-I773 HydrophobicContact CG2-CD1 3.74Å; V742-I773 HydrophobicContact CG2-CG1 3.75Å; L751-I773 HydrophobicContact CD2-CD1 3.97Å; I773-L780 HydrophobicContact CG2-CD2 4.34Å; I773-F781 CarbonylContact C-O 3.51Å; I773-F781 WeakPolarHBondContact CA-O 3.46Å; I773-L782 HydrophobicContact CG1-CD1 3.78Å; I773-L811 HydrophobicContact CD1-CB 4.12Å; I773-A812 HydrophobicContact CD1-CB 4.18Å; I773-A812 HydrophobicContact CG1-CB 4.47Å; I773-A812 HydrophobicContact CG2-CB 4.39Å; I773-L815 HydrophobicContact CD1-CD1 3.96Å; I773-L815 HydrophobicContact CG2-CD1 4.26Å |
| 774 | L | 92.5 | Very high | 87.7 | Confident | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 112.6 | 172.4 | 172.9 | 64.8 | 0 | 0 | 0 | 108.9 | P737 L739 L761 L780 F781 F839 K842 F843 | P737-L774 HydrophobicContact CB-CD1 4.02Å; L739-L774 HydrophobicContact CD1-CB 4.04Å; L739-L774 HydrophobicContact CD1-CD1 4.33Å; L761-L774 HydrophobicContact CD1-CD1 3.49Å; L761-L774 VanDerWaalsContact CD1-CD1 3.49Å; L761-L774 HydrophobicContact CD1-CD2 4.48Å; L774-L780 WeakPolarHBondContact O-CA 3.46Å; L774-F781 HydrophobicContact CB-CB 4.22Å; L774-F781 HydrophobicContact CB-CD2 4.37Å; L774-F781 HydrophobicContact CD2-CD2 3.93Å; L774-F781 HydrophobicContact CG-CD2 4.18Å; L774-F781 PolarHBondContact N-O 2.72Å; L774-F781 PolarHBondContact O-N 2.88Å; L774-F839 HydrophobicContact CB-CE2 4.27Å; L774-F839 HydrophobicContact CD2-CD2 4.06Å; L774-F839 HydrophobicContact CD2-CE2 3.7Å; L774-F839 HydrophobicContact CD2-CZ 4.45Å; L774-K842 HydrophobicContact CD2-CB 4.03Å; L774-K842 HydrophobicContact CD2-CG 4.23Å; L774-F843 HydrophobicContact CD2-CE2 3.78Å; L774-F843 HydrophobicContact CD2-CZ 4.15Å |
| 775 | D | 90.7 | Very high | 87.7 | Confident | 3 Ų | 3 | 22.2 Ų | 22.2 | 2% | 0.016 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 111.8 | 177.4 | 177.3 | 7.8 | 0 | 0 | 0 | 110.3 | P737 R738 Y740 H777 L780 R821 | P737-D775 CarbonylContact C-O 3.52Å; P737-D775 VanDerWaalsContact CA-O 3.3Å; P737-D775 WeakPolarHBondContact CA-O 3.33Å; R738-D775 HydrophobicContact CB-CB 4.3Å; R738-D775 PolarHBondContact N-O 3.02Å; R738-D775 IonicContact NH1-OD2 3.19Å; R738-D775 PolarHBondContact NH1-OD2 2.66Å; R738-D775 PolarHBondContact O-N 2.96Å; Y740-D775 HydrophobicContact CD2-CB 4.45Å; Y740-D775 HydrophobicContact CE2-CB 3.98Å; D775-H777 PolarHBondContact OD1-N 3.05Å; D775-L780 HydrophobicContact CB-CG 4.46Å; D775-R821 IonicContact OD1-CZ 2.76Å; D775-R821 IonicContact OD1-NH1 2.92Å; D775-R821 PolarHBondContact OD1-NH1 2.91Å; D775-R821 IonicContact OD1-NH2 3.96Å; D775-R821 PolarHBondContact OD1-NH2 2.78Å; D775-R821 IonicContact OD2-CZ 3.48Å; D775-R821 IonicContact OD2-NH1 3.81Å; D775-R821 IonicContact OD2-NH2 3.36Å; D775-R821 PolarHBondContact OD2-NH2 2.88Å |
| 776 | C | 87.4 | Confident | 87.3 | Confident | 23 Ų | 23 | 27 Ų | 27 | 16% | 0.155 | 13% | 0.131 | C | C | . | . | trans | -107.2 | 21.1 | 176.6 | -66.9 | 0 | 0 | 0 | 0 | 113 | S778 D779 | C776-S778 PolarHBondContact O-N 3.04Å; C776-D779 HydrophobicContact CB-CB 4.49Å; C776-D779 WeakPolarHBondContact CB-O 3.31Å; C776-D779 PolarHBondContact N-O 3.06Å | ||
| 777 | H | 83.4 | Confident | 86.5 | Confident | 46 Ų | 46 | 32.1 Ų | 32.1 | 21% | 0.213 | 15% | 0.153 | C | C | . | . | S | Bend | trans | 68.5 | -62.1 | -172.6 | -174.8 | 66.3 | 0 | 0 | 0 | 114 | Q735 D775 R821 | Q735-H777 VanDerWaalsContact OE1-CB 3.32Å; Q735-H777 VanDerWaalsContact OE1-CG 3.23Å; Q735-H777 PolarHBondContact OE1-ND1 2.88Å; D775-H777 PolarHBondContact OD1-N 3.05Å; H777-R821 PolarHBondContact O-NH1 3.29Å |
| 778 | S | 82.9 | Confident | 85.5 | Confident | 6 Ų | 6 | 27.1 Ų | 27.1 | 4% | 0.042 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -77 | -29.2 | 174.8 | 58.3 | 0 | 0 | 0 | 0 | 113.4 | C776 A825 S826 | C776-S778 PolarHBondContact O-N 3.04Å; S778-A825 CarbonylContact O-C 3.44Å; S778-A825 WeakPolarHBondContact O-CA 3.24Å; S778-A825 WeakPolarHBondContact O-CB 2.98Å; S778-S826 PolarHBondContact O-N 3.38Å; S778-S826 VanDerWaalsContact O-N 3.08Å |
| 779 | D | 86.8 | Confident | 84.2 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 127.8 | -172.1 | -52.7 | -69.5 | 0 | 0 | 0 | 109.6 | S641 C776 F781 F838 K842 | S641-D779 WeakPolarHBondContact CB-OD1 3.2Å; C776-D779 HydrophobicContact CB-CB 4.49Å; C776-D779 WeakPolarHBondContact CB-O 3.31Å; C776-D779 PolarHBondContact N-O 3.06Å; D779-F781 HydrophobicContact CB-CD2 4.4Å; D779-F781 HydrophobicContact CB-CE2 3.55Å; D779-F781 HydrophobicContact CB-CZ 3.76Å; D779-F838 HydrophobicContact CB-CE1 4.27Å; D779-F838 WeakPolarHBondContact OD2-CZ 3.26Å; D779-K842 IonicContact OD2-NZ 3.44Å |
| 780 | L | 90.1 | Very high | 82.5 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 129.1 | 171.4 | -86.5 | 79.3 | 0 | 0 | 0 | 108.9 | I773 L774 D775 L815 H816 S826 V827 S828 | I773-L780 HydrophobicContact CG2-CD2 4.34Å; L774-L780 WeakPolarHBondContact O-CA 3.46Å; D775-L780 HydrophobicContact CB-CG 4.46Å; L780-L815 HydrophobicContact CD2-CB 4.21Å; L780-H816 HydrophobicContact CD2-CB 4.33Å; L780-S826 PolarHBondContact N-O 3.3Å; L780-V827 HydrophobicContact CB-CB 4.49Å; L780-V827 HydrophobicContact CB-CG1 4.38Å; L780-V827 HydrophobicContact CB-CG2 4.15Å; L780-V827 CarbonylContact O-C 3.45Å; L780-V827 WeakPolarHBondContact O-CA 3.35Å; L780-S828 PolarHBondContact O-N 3.14Å; L780-S828 PolarHBondContact O-OG 3.28Å |
| 781 | F | 91.3 | Very high | 80.3 | Confident | 5 Ų | 5 | 34.3 Ų | 34.3 | 2% | 0.022 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 121.7 | 175.5 | -53.5 | -93.3 | 0 | 0 | 0 | 110.3 | I773 L774 D779 W783 S828 V830 F838 F839 | I773-F781 CarbonylContact C-O 3.51Å; I773-F781 WeakPolarHBondContact CA-O 3.46Å; L774-F781 HydrophobicContact CB-CB 4.22Å; L774-F781 HydrophobicContact CB-CD2 4.37Å; L774-F781 HydrophobicContact CD2-CD2 3.93Å; L774-F781 HydrophobicContact CG-CD2 4.18Å; L774-F781 PolarHBondContact N-O 2.72Å; L774-F781 PolarHBondContact O-N 2.88Å; D779-F781 HydrophobicContact CB-CD2 4.4Å; D779-F781 HydrophobicContact CB-CE2 3.55Å; D779-F781 HydrophobicContact CB-CZ 3.76Å; F781-W783 PolarHBondContact O-N 2.97Å; F781-S828 CarbonylContact C-O 3.6Å; F781-S828 VanDerWaalsContact CA-O 3.31Å; F781-S828 WeakPolarHBondContact CA-O 3.49Å; F781-S828 WeakPolarHBondContact CD1-OG 3.34Å; F781-S828 WeakPolarHBondContact CE1-OG 3.44Å; F781-V830 HydrophobicContact CB-CG2 4.45Å; F781-V830 HydrophobicContact CD1-CG2 4.03Å; F781-F838 AromaticContact CE1-CD1 3.88Å; F781-F838 HydrophobicContact CE1-CD1 3.88Å; F781-F838 HydrophobicContact CE1-CE1 4.26Å; F781-F838 HydrophobicContact CE2-CE1 4.48Å; F781-F838 AromaticContact CZ-CD1 3.49Å; F781-F838 HydrophobicContact CZ-CD1 3.49Å; F781-F838 VanDerWaalsContact CZ-CD1 3.49Å; F781-F838 AromaticContact CZ-CE1 3.52Å; F781-F838 HydrophobicContact CZ-CE1 3.52Å; F781-F839 HydrophobicContact CB-CD2 3.58Å; F781-F839 HydrophobicContact CB-CE2 3.61Å; F781-F839 HydrophobicContact CD1-CB 4.3Å; F781-F839 AromaticContact CD1-CD2 3.68Å; F781-F839 HydrophobicContact CD1-CD2 3.68Å; F781-F839 HydrophobicContact CD1-CG 4.47Å; F781-F839 HydrophobicContact CD2-CD2 4.03Å; F781-F839 HydrophobicContact CE1-CB 4.3Å; F781-F839 HydrophobicContact CE1-CD2 4.34Å; F781-F839 AromaticContact CG-CD2 3.5Å; F781-F839 HydrophobicContact CG-CD2 3.5Å; F781-F839 HydrophobicContact CG-CE2 4.03Å |
| 782 | L | 90.9 | Very high | 77.9 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 102.4 | 165.5 | -179.3 | 72.1 | 0 | 0 | 0 | 108.7 | V771 Y772 I773 I784 F809 S828 Q829 V830 | V771-L782 HydrophobicContact CG1-CD1 3.57Å; V771-L782 HydrophobicContact CG1-CG 4.31Å; Y772-L782 CarbonylContact O-C 3.34Å; Y772-L782 WeakPolarHBondContact O-CA 3.38Å; I773-L782 HydrophobicContact CG1-CD1 3.78Å; L782-I784 HydrophobicContact CD2-CD1 4.29Å; L782-I784 HydrophobicContact CD2-CG1 4.46Å; L782-I784 HydrophobicContact CG-CG1 4.28Å; L782-F809 HydrophobicContact CD2-CB 3.85Å; L782-F809 HydrophobicContact CD2-CD2 4.39Å; L782-S828 PolarHBondContact N-O 3.11Å; L782-Q829 HydrophobicContact CD2-CG 4.29Å; L782-V830 PolarHBondContact O-N 2.76Å; L782-V830 VanDerWaalsContact O-O 3.13Å |
| 783 | W | 91.3 | Very high | 75.4 | Confident | 6 Ų | 6 | 45 Ų | 45 | 2% | 0.023 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 131.6 | 174.9 | -175 | 94.4 | 0 | 0 | 0 | 111.4 | L766 Q767 C770 V771 Y772 F781 G785 V830 E832 E835 F839 | L766-W783 HydrophobicContact CB-CD2 4.43Å; L766-W783 HydrophobicContact CB-CE3 4.39Å; L766-W783 HydrophobicContact CB-CH2 3.89Å; L766-W783 HydrophobicContact CB-CZ2 3.98Å; L766-W783 HydrophobicContact CB-CZ3 4.12Å; L766-W783 HydrophobicContact CD1-CD2 4.09Å; L766-W783 HydrophobicContact CD1-CG 4.19Å; L766-W783 HydrophobicContact CD1-CZ2 4.36Å; L766-W783 HydrophobicContact CD2-CD2 4.27Å; L766-W783 HydrophobicContact CD2-CE3 4.27Å; Q767-W783 WeakPolarHBondContact O-CZ3 2.98Å; C770-W783 WeakPolarHBondContact O-CZ3 3.26Å; V771-W783 CarbonylContact C-O 3.05Å; V771-W783 WeakPolarHBondContact CA-O 3.39Å; V771-W783 WeakPolarHBondContact CG1-O 3.07Å; Y772-W783 AromaticContact CD2-CE3 3.59Å; Y772-W783 HydrophobicContact CD2-CE3 3.59Å; Y772-W783 AromaticContact CD2-CZ3 3.76Å; Y772-W783 HydrophobicContact CD2-CZ3 3.76Å; Y772-W783 HydrophobicContact CE2-CE3 4.25Å; Y772-W783 AromaticContact CE2-CZ3 3.94Å; Y772-W783 HydrophobicContact CE2-CZ3 3.94Å; Y772-W783 PolarHBondContact N-O 3.13Å; Y772-W783 PolarHBondContact O-N 2.97Å; F781-W783 PolarHBondContact O-N 2.97Å; W783-G785 VanDerWaalsContact CZ3-N 3.32Å; W783-V830 CarbonylContact C-O 3.59Å; W783-V830 WeakPolarHBondContact CA-O 3.24Å; W783-E832 HydrophobicContact CH2-CB 4.08Å; W783-E832 HydrophobicContact CH2-CG 4.27Å; W783-E832 HydrophobicContact CZ2-CB 3.51Å; W783-E832 HydrophobicContact CZ2-CG 3.7Å; W783-E835 PolarHBondContact NE1-OE1 2.76Å; W783-F839 HydrophobicContact CB-CE2 4.26Å; W783-F839 HydrophobicContact CB-CZ 3.84Å; W783-F839 AromaticContact CD1-CE1 3.54Å; W783-F839 AromaticContact CD1-CZ 3.5Å; W783-F839 VanDerWaalsContact CD1-CZ 3.5Å; W783-F839 HydrophobicContact CG-CE1 4.35Å; W783-F839 AromaticContact CG-CZ 3.89Å; W783-F839 HydrophobicContact CG-CZ 3.89Å |
| 784 | I | 86 | Confident | 73 | Confident | 4 Ų | 4 | 51.4 Ų | 51.4 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 114.6 | -175.5 | -58 | 177.7 | 0 | 0 | 0 | 110.3 | V771 L782 S788 R805 Q829 V830 E832 | V771-I784 HydrophobicContact CG1-CG1 4.35Å; V771-I784 HydrophobicContact CG2-CG2 4.34Å; L782-I784 HydrophobicContact CD2-CD1 4.29Å; L782-I784 HydrophobicContact CD2-CG1 4.46Å; L782-I784 HydrophobicContact CG-CG1 4.28Å; I784-S788 WeakPolarHBondContact CG2-OG 3.5Å; I784-R805 HydrophobicContact CD1-CG 4.28Å; I784-R805 HydrophobicContact CG2-CG 4.41Å; I784-Q829 HydrophobicContact CD1-CG 3.83Å; I784-V830 PolarHBondContact N-O 3.26Å; I784-E832 PolarHBondContact O-N 3.26Å |
| 785 | G | 83.8 | Confident | 70.8 | Confident | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.01 | 29% | 0.294 | C | S | . | . | trans | -64.6 | 144.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | A768 C770 W783 S788 E832 | A768-G785 CarbonylContact O-C 3.42Å; A768-G785 WeakPolarHBondContact O-CA 3.19Å; C770-G785 PolarHBondContact O-N 3.14Å; W783-G785 VanDerWaalsContact CZ3-N 3.32Å; G785-S788 WeakPolarHBondContact O-CB 3.23Å; G785-S788 PolarHBondContact O-N 3.45Å; G785-S788 VanDerWaalsContact O-N 3.1Å; G785-S788 PolarHBondContact O-OG 3.45Å; G785-E832 WeakPolarHBondContact CA-OE2 3.47Å | ||
| 786 | K | 78.6 | Confident | 68.7 | Low | 129 Ų | 129 | 64.8 Ų | 64.8 | 56% | 0.561 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -63.9 | -43.3 | 179.9 | -173.2 | 173.8 | -175.1 | 173.2 | 0 | 111.2 | A768 S788 T789 E832 | A768-K786 PolarHBondContact O-N 3Å; K786-S788 PolarHBondContact O-N 2.98Å; K786-T789 WeakPolarHBondContact O-CB 3.48Å; K786-T789 PolarHBondContact O-N 2.9Å; K786-T789 VanDerWaalsContact O-N 3.12Å; K786-T789 PolarHBondContact O-OG1 2.95Å; K786-E832 HydrophobicContact CB-CB 4.03Å; K786-E832 HydrophobicContact CB-CG 4.17Å; K786-E832 WeakPolarHBondContact CB-OE2 3.4Å; K786-E832 PolarHBondContact N-OE2 3.3Å |
| 787 | K | 71.1 | Confident | 66.6 | Low | 126 Ų | 126 | 69.6 Ų | 69.6 | 55% | 0.548 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -73.4 | -10.3 | 175.4 | -64.6 | -175.3 | -178.7 | 179.9 | 0 | 113.1 | A768 K769 T789 R790 | A768-K787 HydrophobicContact CB-CB 4.06Å; A768-K787 HydrophobicContact CB-CD 4.19Å; A768-K787 HydrophobicContact CB-CG 4.01Å; A768-K787 CarbonylContact O-C 3.54Å; A768-K787 VanDerWaalsContact O-C 3.31Å; A768-K787 VanDerWaalsContact O-CA 3.27Å; A768-K787 WeakPolarHBondContact O-CA 3.46Å; A768-K787 WeakPolarHBondContact O-CB 3.25Å; A768-K787 PolarHBondContact O-N 2.87Å; K769-K787 HydrophobicContact CG-CB 3.92Å; K769-K787 HydrophobicContact CG-CD 4.43Å; K787-T789 PolarHBondContact O-N 2.95Å; K787-R790 PolarHBondContact O-N 2.9Å |
| 788 | S | 66 | Low | 64.9 | Low | 8 Ų | 8 | 74.4 Ų | 74.4 | 6% | 0.056 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | -61.4 | -23.6 | 166.2 | 79.1 | 0 | 0 | 0 | 0 | 111 | A768 I784 G785 K786 I801 R805 | A768-S788 PolarHBondContact O-N 2.84Å; I784-S788 WeakPolarHBondContact CG2-OG 3.5Å; G785-S788 WeakPolarHBondContact O-CB 3.23Å; G785-S788 PolarHBondContact O-N 3.45Å; G785-S788 VanDerWaalsContact O-N 3.1Å; G785-S788 PolarHBondContact O-OG 3.45Å; K786-S788 PolarHBondContact O-N 2.98Å; S788-I801 VanDerWaalsContact O-CD1 3.26Å; S788-I801 WeakPolarHBondContact O-CD1 3.38Å; S788-I801 WeakPolarHBondContact O-CG2 3.3Å; S788-R805 PolarHBondContact OG-NH2 2.84Å |
| 789 | T | 55.8 | Low | 63.2 | Low | 60 Ų | 60 | 79.4 Ų | 79.4 | 37% | 0.368 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -79.4 | -29 | 177 | 59.6 | 0 | 0 | 0 | 0 | 115.4 | K786 K787 L791 | K786-T789 WeakPolarHBondContact O-CB 3.48Å; K786-T789 PolarHBondContact O-N 2.9Å; K786-T789 VanDerWaalsContact O-N 3.12Å; K786-T789 PolarHBondContact O-OG1 2.95Å; K787-T789 PolarHBondContact O-N 2.95Å; T789-L791 PolarHBondContact O-N 3.2Å |
| 790 | R | 45.6 | Very low | 61.4 | Low | 191 Ų | 191 | 82.7 Ų | 82.7 | 72% | 0.721 | 41% | 0.412 | S | S | * | . | trans | -95.3 | 17.4 | -148.1 | -109.2 | -174.1 | -175.1 | -168.8 | 0.1 | 116.4 | K787 V792 | K787-R790 PolarHBondContact O-N 2.9Å; R790-V792 PolarHBondContact O-N 3.47Å | ||
| 791 | L | 39.5 | Very low | 59.7 | Low | 104 Ų | 104 | 84.2 Ų | 84.2 | 55% | 0.545 | 42% | 0.42 | S | S | . | . | trans | -86.2 | 69.3 | 173.1 | -73.8 | 165 | 0 | 0 | 0 | 110.4 | T789 S793 I801 | T789-L791 PolarHBondContact O-N 3.2Å; L791-S793 PolarHBondContact O-N 3.08Å; L791-I801 HydrophobicContact CB-CD1 4.16Å; L791-I801 HydrophobicContact CD1-CD1 4.17Å | ||
| 792 | V | 37.2 | Very low | 58.1 | Low | 127 Ų | 127 | 88.6 Ų | 88.6 | 77% | 0.77 | 44% | 0.443 | S | S | * | . | trans | -97.5 | 61.7 | 174.4 | -173.8 | 0 | 0 | 0 | 0 | 109.2 | R790 | R790-V792 PolarHBondContact O-N 3.47Š| ||
| 793 | S | 40.6 | Very low | 56.8 | Low | 106 Ų | 106 | 94.8 Ų | 94.8 | 74% | 0.741 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -142.9 | -10.4 | 169.2 | 178.3 | 0 | 0 | 0 | 0 | 113.9 | L791 | L791-S793 PolarHBondContact O-N 3.08Š|
| 794 | H | 41.5 | Very low | 55.7 | Low | 133 Ų | 133 | 95.4 Ų | 95.4 | 62% | 0.616 | 47% | 0.474 | S | S | * | . | trans | -139.1 | 115.6 | 173.8 | -88.7 | 50.3 | 0 | 0 | 0 | 109.4 | Y796 Y797 | H794-Y796 PolarHBondContact O-N 2.92Å; H794-Y797 HydrophobicContact CB-CD2 3.8Å; H794-Y797 HydrophobicContact CB-CE2 4.34Å; H794-Y797 PolarHBondContact O-N 2.99Å | ||
| 795 | G | 45.8 | Very low | 55 | Low | 72 Ų | 72 | 97.5 Ų | 97.5 | 74% | 0.742 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -52.5 | -26.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y797 | G795-Y797 VanDerWaalsContact C-N 3.34Å; G795-Y797 PolarHBondContact O-N 2.94Å |
| 796 | Y | 46.2 | Very low | 54.3 | Low | 214 Ų | 214 | 100.6 Ų | 100.6 | 84% | 0.839 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65 | -28.5 | 174 | -97.9 | -92.8 | 0 | 0 | 0 | 114.5 | H794 | H794-Y796 PolarHBondContact O-N 2.92Å |
| 797 | Y | 44.4 | Very low | 54.1 | Low | 124 Ų | 124 | 95.3 Ų | 95.3 | 49% | 0.486 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -85.1 | -26.7 | -177.4 | -74.3 | -83.1 | 0 | 0 | 0 | 113.9 | H794 G795 L799 L800 I801 | H794-Y797 HydrophobicContact CB-CD2 3.8Å; H794-Y797 HydrophobicContact CB-CE2 4.34Å; H794-Y797 PolarHBondContact O-N 2.99Å; G795-Y797 VanDerWaalsContact C-N 3.34Å; G795-Y797 PolarHBondContact O-N 2.94Å; Y797-L799 PolarHBondContact O-N 2.9Å; Y797-L800 HydrophobicContact CD1-CD2 4.48Å; Y797-L800 WeakPolarHBondContact O-CB 3.43Å; Y797-L800 PolarHBondContact O-N 2.92Å; Y797-I801 WeakPolarHBondContact O-CG1 3.5Å; Y797-I801 PolarHBondContact O-N 2.91Å; Y797-I801 VanDerWaalsContact O-N 3.14Å |
| 798 | K | 46.8 | Very low | 54.6 | Low | 147 Ų | 147 | 89.3 Ų | 89.3 | 64% | 0.639 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -62.9 | -42.3 | 178.1 | -169.9 | 178.1 | 178.5 | -175.6 | 0 | 111.3 | L802 | K798-L802 PolarHBondContact O-N 3.29Å |
| 799 | L | 47.7 | Very low | 55.4 | Low | 110 Ų | 110 | 93.2 Ų | 93.2 | 58% | 0.576 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -67.6 | -35.3 | 175.8 | -144 | 94.9 | 0 | 0 | 0 | 112 | Y797 K803 | Y797-L799 PolarHBondContact O-N 2.9Å; L799-K803 WeakPolarHBondContact O-CD 3.41Å; L799-K803 WeakPolarHBondContact O-CG 3.36Å; L799-K803 PolarHBondContact O-N 3.24Å |
| 800 | L | 49.5 | Very low | 56.7 | Low | 70 Ų | 70 | 93.7 Ų | 93.7 | 37% | 0.366 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -67.1 | -41.3 | -178.9 | -157.5 | 93.4 | 0 | 0 | 0 | 112.1 | L744 Y797 K803 V804 | L744-L800 HydrophobicContact CD1-CD1 4.07Å; L744-L800 HydrophobicContact CD1-CD2 3.66Å; L744-L800 HydrophobicContact CD1-CG 3.53Å; Y797-L800 HydrophobicContact CD1-CD2 4.48Å; Y797-L800 WeakPolarHBondContact O-CB 3.43Å; Y797-L800 PolarHBondContact O-N 2.92Å; L800-K803 WeakPolarHBondContact O-CB 3.37Å; L800-K803 PolarHBondContact O-N 2.92Å; L800-V804 WeakPolarHBondContact O-CG2 3.18Å; L800-V804 PolarHBondContact O-N 2.84Å; L800-V804 VanDerWaalsContact O-N 3.07Å |
| 801 | I | 54.2 | Low | 58.6 | Low | 32 Ų | 32 | 84.7 Ų | 84.7 | 16% | 0.164 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -76.4 | -40.7 | -176.2 | -69.7 | 167.9 | 0 | 0 | 0 | 112.3 | S788 L791 Y797 K803 V804 R805 | S788-I801 VanDerWaalsContact O-CD1 3.26Å; S788-I801 WeakPolarHBondContact O-CD1 3.38Å; S788-I801 WeakPolarHBondContact O-CG2 3.3Å; L791-I801 HydrophobicContact CB-CD1 4.16Å; L791-I801 HydrophobicContact CD1-CD1 4.17Å; Y797-I801 WeakPolarHBondContact O-CG1 3.5Å; Y797-I801 PolarHBondContact O-N 2.91Å; Y797-I801 VanDerWaalsContact O-N 3.14Å; I801-K803 PolarHBondContact O-N 2.76Å; I801-V804 PolarHBondContact O-N 3.23Å; I801-V804 VanDerWaalsContact O-N 3.08Å; I801-R805 PolarHBondContact O-N 2.84Å; I801-R805 VanDerWaalsContact O-N 3.1Å |
| 802 | L | 56.7 | Low | 60.8 | Low | 97 Ų | 97 | 79.8 Ų | 79.8 | 51% | 0.508 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -57.2 | -40.3 | 171.7 | -78.9 | 168.1 | 0 | 0 | 0 | 110.3 | K798 R805 A806 | K798-L802 PolarHBondContact O-N 3.29Å; L802-R805 PolarHBondContact O-N 2.84Å; L802-A806 PolarHBondContact O-N 3.4Å; L802-A806 VanDerWaalsContact O-N 3.08Å |
| 803 | K | 64.4 | Low | 63.1 | Low | 129 Ų | 129 | 75.9 Ų | 75.9 | 56% | 0.561 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -61.3 | -42.3 | 172.3 | -72.8 | 173.3 | -177.8 | -175.7 | 0 | 112.7 | L799 L800 I801 R805 A807 | L799-K803 WeakPolarHBondContact O-CD 3.41Å; L799-K803 WeakPolarHBondContact O-CG 3.36Å; L799-K803 PolarHBondContact O-N 3.24Å; L800-K803 WeakPolarHBondContact O-CB 3.37Å; L800-K803 PolarHBondContact O-N 2.92Å; I801-K803 PolarHBondContact O-N 2.76Å; K803-R805 VanDerWaalsContact C-N 3.34Å; K803-R805 PolarHBondContact O-N 3.01Å; K803-A807 WeakPolarHBondContact O-CB 3.19Å; K803-A807 PolarHBondContact O-N 2.79Å |
| 804 | V | 69.2 | Low | 65.3 | Low | 19 Ų | 19 | 73.1 Ų | 73.1 | 12% | 0.115 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61.7 | -39.2 | 177 | 176.7 | 0 | 0 | 0 | 0 | 112.5 | V742 L744 V771 L800 I801 G808 | V742-V804 HydrophobicContact CG1-CG1 4Å; L744-V804 HydrophobicContact CD1-CG2 3.24Å; L744-V804 HydrophobicContact CD2-CG2 4.34Å; L744-V804 HydrophobicContact CG-CG2 3.55Å; V771-V804 HydrophobicContact CB-CG1 4.32Å; V771-V804 HydrophobicContact CG2-CG1 4.08Å; L800-V804 WeakPolarHBondContact O-CG2 3.18Å; L800-V804 PolarHBondContact O-N 2.84Å; L800-V804 VanDerWaalsContact O-N 3.07Å; I801-V804 PolarHBondContact O-N 3.23Å; I801-V804 VanDerWaalsContact O-N 3.08Å; V804-G808 WeakPolarHBondContact O-CA 3.23Å; V804-G808 PolarHBondContact O-N 3.43Å |
| 805 | R | 69.9 | Low | 67.5 | Low | 48 Ų | 48 | 67 Ų | 67 | 18% | 0.181 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -70 | -49.1 | 179.5 | -69.3 | 176.4 | 175.3 | -163.2 | -12.5 | 112.2 | I784 S788 I801 L802 K803 A807 G808 F809 | I784-R805 HydrophobicContact CD1-CG 4.28Å; I784-R805 HydrophobicContact CG2-CG 4.41Å; S788-R805 PolarHBondContact OG-NH2 2.84Å; I801-R805 PolarHBondContact O-N 2.84Å; I801-R805 VanDerWaalsContact O-N 3.1Å; L802-R805 PolarHBondContact O-N 2.84Å; K803-R805 VanDerWaalsContact C-N 3.34Å; K803-R805 PolarHBondContact O-N 3.01Å; R805-A807 VanDerWaalsContact C-N 3.3Å; R805-A807 PolarHBondContact O-N 3.3Å; R805-G808 PolarHBondContact O-N 3.18Å; R805-G808 VanDerWaalsContact O-N 3.14Å; R805-F809 PolarHBondContact O-N 3.07Å |
| 806 | A | 70 | Confident | 69.4 | Low | 66 Ų | 66 | 66.3 Ų | 66.3 | 55% | 0.545 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.6 | -42.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111 | L802 K810 | L802-A806 PolarHBondContact O-N 3.4Å; L802-A806 VanDerWaalsContact O-N 3.08Å; A806-K810 WeakPolarHBondContact O-CB 3.36Å; A806-K810 PolarHBondContact O-N 3.12Å |
| 807 | A | 74.8 | Confident | 71.3 | Confident | 18 Ų | 18 | 59.9 Ų | 59.9 | 15% | 0.149 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.3 | -40.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L749 K803 R805 K810 L811 | L749-A807 HydrophobicContact CD1-CB 4.14Å; L749-A807 HydrophobicContact CD2-CB 3.94Å; K803-A807 WeakPolarHBondContact O-CB 3.19Å; K803-A807 PolarHBondContact O-N 2.79Å; R805-A807 VanDerWaalsContact C-N 3.3Å; R805-A807 PolarHBondContact O-N 3.3Å; A807-K810 PolarHBondContact O-N 2.9Å; A807-L811 WeakPolarHBondContact O-CB 3.3Å; A807-L811 WeakPolarHBondContact O-CG 3.39Å; A807-L811 PolarHBondContact O-N 2.87Å |
| 808 | G | 80.6 | Confident | 73.2 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.7 | -43.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | V804 R805 A812 | V804-G808 WeakPolarHBondContact O-CA 3.23Å; V804-G808 PolarHBondContact O-N 3.43Å; R805-G808 PolarHBondContact O-N 3.18Å; R805-G808 VanDerWaalsContact O-N 3.14Å; G808-A812 WeakPolarHBondContact O-CB 3.33Å; G808-A812 PolarHBondContact O-N 3.38Å |
| 809 | F | 82.5 | Confident | 75.1 | Confident | 91 Ų | 91 | 49 Ų | 49 | 40% | 0.399 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65.5 | -48.9 | 174.9 | -175.8 | -95.9 | 0 | 0 | 0 | 111.2 | L782 R805 L811 A812 S813 V827 | L782-F809 HydrophobicContact CD2-CB 3.85Å; L782-F809 HydrophobicContact CD2-CD2 4.39Å; R805-F809 PolarHBondContact O-N 3.07Å; F809-L811 VanDerWaalsContact C-N 3.31Å; F809-L811 PolarHBondContact O-N 3.14Å; F809-A812 WeakPolarHBondContact O-CB 3.31Å; F809-A812 PolarHBondContact O-N 3.04Å; F809-S813 PolarHBondContact O-N 3Å; F809-S813 PolarHBondContact O-OG 3.41Å; F809-V827 HydrophobicContact CE2-CG1 4.47Å |
| 810 | K | 83.4 | Confident | 76.7 | Confident | 70 Ų | 70 | 50 Ų | 50 | 30% | 0.304 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.5 | -40.2 | 177.8 | -170 | 152.4 | 172.9 | 178 | 0 | 111.7 | T4 V6 A806 A807 S813 E814 | T4-K810 VanDerWaalsContact O-CE 3.25Å; T4-K810 WeakPolarHBondContact O-CE 3.36Å; T4-K810 PolarHBondContact O-NZ 3.22Å; T4-K810 PolarHBondContact OG1-NZ 2.97Å; V6-K810 HydrophobicContact CB-CD 4.45Å; V6-K810 HydrophobicContact CB-CG 4.15Å; V6-K810 HydrophobicContact CG2-CB 3.94Å; V6-K810 HydrophobicContact CG2-CD 3.44Å; V6-K810 VanDerWaalsContact CG2-CD 3.44Å; V6-K810 HydrophobicContact CG2-CG 3.56Å; A806-K810 WeakPolarHBondContact O-CB 3.36Å; A806-K810 PolarHBondContact O-N 3.12Å; A807-K810 PolarHBondContact O-N 2.9Å; K810-S813 WeakPolarHBondContact O-CB 2.83Å; K810-S813 PolarHBondContact O-N 2.74Å; K810-E814 VanDerWaalsContact O-CG 3.23Å; K810-E814 WeakPolarHBondContact O-CG 3.42Å; K810-E814 PolarHBondContact O-N 2.87Å |
| 811 | L | 85.4 | Confident | 78.4 | Confident | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.5 | -45.3 | 171 | -81.5 | 177.4 | 0 | 0 | 0 | 112 | V6 V10 V742 L749 L751 I773 A807 F809 S813 E814 L815 | V6-L811 HydrophobicContact CG1-CD2 3.91Å; V6-L811 HydrophobicContact CG1-CG 4.02Å; V10-L811 HydrophobicContact CG2-CD2 3.79Å; V742-L811 HydrophobicContact CG1-CD1 4.21Å; L749-L811 HydrophobicContact CD1-CD1 3.91Å; L749-L811 HydrophobicContact CD2-CD1 3.26Å; L749-L811 HydrophobicContact CD2-CD2 3.88Å; L749-L811 HydrophobicContact CD2-CG 3.6Å; L749-L811 HydrophobicContact CG-CD1 3.6Å; L749-L811 HydrophobicContact CG-CG 4.46Å; L751-L811 HydrophobicContact CD1-CD1 3.68Å; L751-L811 HydrophobicContact CD1-CD2 3.85Å; L751-L811 HydrophobicContact CD1-CG 4.25Å; L751-L811 HydrophobicContact CD2-CD1 4.06Å; L751-L811 HydrophobicContact CG-CD1 3.91Å; I773-L811 HydrophobicContact CD1-CB 4.12Å; A807-L811 WeakPolarHBondContact O-CB 3.3Å; A807-L811 WeakPolarHBondContact O-CG 3.39Å; A807-L811 PolarHBondContact O-N 2.87Å; F809-L811 VanDerWaalsContact C-N 3.31Å; F809-L811 PolarHBondContact O-N 3.14Å; L811-S813 PolarHBondContact O-N 3.24Å; L811-E814 PolarHBondContact O-N 3.26Å; L811-L815 VanDerWaalsContact O-CB 3.3Å; L811-L815 WeakPolarHBondContact O-CB 3.28Å; L811-L815 WeakPolarHBondContact O-CG 3.47Å; L811-L815 PolarHBondContact O-N 2.79Å |
| 812 | A | 86.4 | Confident | 79.8 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.2 | -37.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | I773 G808 F809 H816 V827 | I773-A812 HydrophobicContact CD1-CB 4.18Å; I773-A812 HydrophobicContact CG1-CB 4.47Å; I773-A812 HydrophobicContact CG2-CB 4.39Å; G808-A812 WeakPolarHBondContact O-CB 3.33Å; G808-A812 PolarHBondContact O-N 3.38Å; F809-A812 WeakPolarHBondContact O-CB 3.31Å; F809-A812 PolarHBondContact O-N 3.04Å; A812-H816 VanDerWaalsContact O-CB 3.23Å; A812-H816 WeakPolarHBondContact O-CB 3.43Å; A812-H816 PolarHBondContact O-N 3Å; A812-V827 HydrophobicContact CB-CG1 3.83Å |
| 813 | S | 86.4 | Confident | 80.8 | Confident | 45 Ų | 45 | 53.2 Ų | 53.2 | 32% | 0.315 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -66.7 | -44.1 | 172.9 | -55.7 | 0 | 0 | 0 | 0 | 112.9 | F809 K810 L811 H816 A817 | F809-S813 PolarHBondContact O-N 3Å; F809-S813 PolarHBondContact O-OG 3.41Å; K810-S813 WeakPolarHBondContact O-CB 2.83Å; K810-S813 PolarHBondContact O-N 2.74Å; L811-S813 PolarHBondContact O-N 3.24Å; S813-H816 WeakPolarHBondContact O-CB 3.49Å; S813-H816 PolarHBondContact O-N 2.83Å; S813-A817 WeakPolarHBondContact O-CB 3.43Å; S813-A817 PolarHBondContact O-N 2.74Å |
| 814 | E | 86.5 | Confident | 81.5 | Confident | 49 Ų | 49 | 50.4 Ų | 50.4 | 23% | 0.229 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.1 | -41.7 | 175.8 | -63.7 | -72.2 | 178.9 | 0 | 0 | 111.1 | L7 K810 L811 H816 A817 M818 | L7-E814 HydrophobicContact CD2-CB 4.05Å; L7-E814 HydrophobicContact CD2-CG 4.38Å; L7-E814 HydrophobicContact CG-CB 4.41Å; L7-E814 HydrophobicContact CG-CG 4.28Å; K810-E814 VanDerWaalsContact O-CG 3.23Å; K810-E814 WeakPolarHBondContact O-CG 3.42Å; K810-E814 PolarHBondContact O-N 2.87Å; L811-E814 PolarHBondContact O-N 3.26Å; E814-H816 VanDerWaalsContact C-N 3.27Å; E814-H816 PolarHBondContact O-N 3.3Å; E814-A817 PolarHBondContact O-N 2.8Å; E814-M818 VanDerWaalsContact O-CB 3.26Å; E814-M818 WeakPolarHBondContact O-CB 3.36Å; E814-M818 WeakPolarHBondContact O-CG 3.45Å; E814-M818 PolarHBondContact O-N 2.84Å |
| 815 | L | 87 | Confident | 82.3 | Confident | 4 Ų | 4 | 50 Ų | 50 | 2% | 0.021 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.9 | -32 | 174 | -70.3 | -177.8 | 0 | 0 | 0 | 112.3 | I13 F15 I773 L780 L811 M818 R821 | I13-L815 HydrophobicContact CD1-CD2 4.21Å; F15-L815 HydrophobicContact CE1-CD2 4.18Å; I773-L815 HydrophobicContact CD1-CD1 3.96Å; I773-L815 HydrophobicContact CG2-CD1 4.26Å; L780-L815 HydrophobicContact CD2-CB 4.21Å; L811-L815 VanDerWaalsContact O-CB 3.3Å; L811-L815 WeakPolarHBondContact O-CB 3.28Å; L811-L815 WeakPolarHBondContact O-CG 3.47Å; L811-L815 PolarHBondContact O-N 2.79Å; L815-M818 HydrophobicContact CB-CE 4.46Å; L815-M818 HydrophobicContact CD2-CE 3.13Å; L815-M818 HydrophobicContact CD2-SD 4.03Å; L815-M818 HydrophobicContact CG-CE 4.32Å; L815-R821 PolarHBondContact O-NE 3.17Å |
| 816 | H | 86.3 | Confident | 83 | Confident | 57 Ų | 57 | 49.2 Ų | 49.2 | 26% | 0.264 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -71.9 | -43.6 | 174.9 | 176.7 | -86.6 | 0 | 0 | 0 | 110.9 | L780 A812 S813 E814 R821 A825 V827 | L780-H816 HydrophobicContact CD2-CB 4.33Å; A812-H816 VanDerWaalsContact O-CB 3.23Å; A812-H816 WeakPolarHBondContact O-CB 3.43Å; A812-H816 PolarHBondContact O-N 3Å; S813-H816 WeakPolarHBondContact O-CB 3.49Å; S813-H816 PolarHBondContact O-N 2.83Å; E814-H816 VanDerWaalsContact C-N 3.27Å; E814-H816 PolarHBondContact O-N 3.3Å; H816-R821 WeakPolarHBondContact O-CD 3.43Å; H816-A825 PolarHBondContact NE2-O 3.08Å; H816-V827 HydrophobicContact CB-CG2 3.62Å |
| 817 | A | 84.9 | Confident | 83.7 | Confident | 80 Ų | 80 | 48 Ų | 48 | 66% | 0.661 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -74.8 | -36 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | S813 E814 | S813-A817 WeakPolarHBondContact O-CB 3.43Å; S813-A817 PolarHBondContact O-N 2.74Å; E814-A817 PolarHBondContact O-N 2.8Å |
| 818 | M | 85.1 | Confident | 84.1 | Confident | 26 Ų | 26 | 48.5 Ų | 48.5 | 13% | 0.128 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -83.5 | -25 | -172.2 | 78.2 | -172.4 | -164.3 | 0 | 0 | 113.8 | F15 P26 A28 E814 L815 | F15-M818 HydrophobicContact CD1-CE 4.4Å; F15-M818 HydrophobicContact CE1-CE 3.19Å; F15-M818 HydrophobicContact CE2-CE 4.43Å; F15-M818 HydrophobicContact CZ-CE 3.2Å; F15-M818 HydrophobicContact CZ-SD 4.28Å; P26-M818 HydrophobicContact CB-CB 4.27Å; P26-M818 HydrophobicContact CB-CG 4.48Å; P26-M818 WeakPolarHBondContact CB-O 3.34Å; A28-M818 HydrophobicContact CB-CB 4.11Å; E814-M818 VanDerWaalsContact O-CB 3.26Å; E814-M818 WeakPolarHBondContact O-CB 3.36Å; E814-M818 WeakPolarHBondContact O-CG 3.45Å; E814-M818 PolarHBondContact O-N 2.84Å; L815-M818 HydrophobicContact CB-CE 4.46Å; L815-M818 HydrophobicContact CD2-CE 3.13Å; L815-M818 HydrophobicContact CD2-SD 4.03Å; L815-M818 HydrophobicContact CG-CE 4.32Å |
| 819 | L | 85.9 | Confident | 84.3 | Confident | 17 Ų | 17 | 54 Ų | 54 | 9% | 0.089 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -97.8 | 143.4 | -178.6 | -68 | 171.5 | 0 | 0 | 0 | 109.8 | F20 P26 R821 | F20-L819 HydrophobicContact CE1-CD2 3.9Å; F20-L819 HydrophobicContact CZ-CD2 4.27Å; P26-L819 HydrophobicContact CG-CD2 4.15Å; L819-R821 WeakPolarHBondContact O-CG 3.47Å; L819-R821 PolarHBondContact O-N 3.13Å |
| 820 | D | 82.3 | Confident | 84.5 | Confident | 131 Ų | 131 | 50 Ų | 50 | 70% | 0.701 | 27% | 0.267 | S | S | * | . | trans | -61.8 | 123 | 175 | -176.7 | 45.3 | 0 | 0 | 0 | 111.3 | ||||
| 821 | R | 85.5 | Confident | 84.5 | Confident | 31 Ų | 31 | 48.4 Ų | 48.4 | 12% | 0.117 | 27% | 0.267 | C | S | . | . | trans | -148 | 152.3 | -171.1 | -72.3 | -177.4 | -169.3 | -76.6 | -1.1 | 111.1 | D775 H777 L815 H816 L819 A825 | D775-R821 IonicContact OD1-CZ 2.76Å; D775-R821 IonicContact OD1-NH1 2.92Å; D775-R821 PolarHBondContact OD1-NH1 2.91Å; D775-R821 IonicContact OD1-NH2 3.96Å; D775-R821 PolarHBondContact OD1-NH2 2.78Å; D775-R821 IonicContact OD2-CZ 3.48Å; D775-R821 IonicContact OD2-NH1 3.81Å; D775-R821 IonicContact OD2-NH2 3.36Å; D775-R821 PolarHBondContact OD2-NH2 2.88Å; H777-R821 PolarHBondContact O-NH1 3.29Å; L815-R821 PolarHBondContact O-NE 3.17Å; H816-R821 WeakPolarHBondContact O-CD 3.43Å; L819-R821 WeakPolarHBondContact O-CG 3.47Å; L819-R821 PolarHBondContact O-N 3.13Å; R821-A825 HydrophobicContact CB-CB 4.17Å | ||
| 822 | P | 82 | Confident | 84.4 | Confident | 29 Ų | 29 | 51.3 Ų | 51.3 | 19% | 0.188 | 28% | 0.28 | C | S | . | . | trans | -68.2 | 152.2 | 176.2 | 27.5 | -32.9 | 0 | 0 | 0 | 112.2 | Y824 A825 | P822-Y824 HydrophobicContact CB-CD1 3.85Å; P822-Y824 HydrophobicContact CB-CE1 3.41Å; P822-Y824 VanDerWaalsContact CB-CE1 3.41Å; P822-Y824 HydrophobicContact CB-CE2 4.23Å; P822-Y824 HydrophobicContact CB-CG 4.46Å; P822-Y824 HydrophobicContact CG-CD2 4.5Å; P822-Y824 HydrophobicContact CG-CE1 4.06Å; P822-Y824 HydrophobicContact CG-CE2 3.97Å; P822-Y824 PolarHBondContact O-N 3.07Å; P822-Y824 VanDerWaalsContact O-N 3.15Å; P822-A825 HydrophobicContact CG-CB 4.18Å; P822-A825 WeakPolarHBondContact O-CB 3.4Å; P822-A825 PolarHBondContact O-N 3Å | ||
| 823 | E | 77.4 | Confident | 84.1 | Confident | 206 Ų | 206 | 54.6 Ų | 54.6 | 96% | 0.963 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -30.2 | -176.7 | -65.5 | -177.3 | 169.9 | 0 | 0 | 114.3 | A825 | E823-A825 PolarHBondContact O-N 2.88Š|
| 824 | Y | 80.8 | Confident | 83.8 | Confident | 69 Ų | 69 | 57 Ų | 57 | 27% | 0.271 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | 3.8 | 178.2 | 59.5 | -93.2 | 0 | 0 | 0 | 113.4 | S641 P643 P822 S826 | S641-Y824 WeakPolarHBondContact O-CE2 3.42Å; P643-Y824 HydrophobicContact CB-CD1 4.34Å; P643-Y824 HydrophobicContact CG-CD1 3.56Å; P643-Y824 HydrophobicContact CG-CE1 3.6Å; P643-Y824 HydrophobicContact CG-CG 4.37Å; P822-Y824 HydrophobicContact CB-CD1 3.85Å; P822-Y824 HydrophobicContact CB-CE1 3.41Å; P822-Y824 VanDerWaalsContact CB-CE1 3.41Å; P822-Y824 HydrophobicContact CB-CE2 4.23Å; P822-Y824 HydrophobicContact CB-CG 4.46Å; P822-Y824 HydrophobicContact CG-CD2 4.5Å; P822-Y824 HydrophobicContact CG-CE1 4.06Å; P822-Y824 HydrophobicContact CG-CE2 3.97Å; P822-Y824 PolarHBondContact O-N 3.07Å; P822-Y824 VanDerWaalsContact O-N 3.15Å; Y824-S826 PolarHBondContact O-N 3.39Å |
| 825 | A | 85 | Confident | 83.8 | Confident | 11 Ų | 11 | 55.6 Ų | 55.6 | 9% | 0.091 | 32% | 0.32 | C | S | . | . | trans | -66.8 | 133.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | S778 H816 R821 P822 E823 | S778-A825 CarbonylContact O-C 3.44Å; S778-A825 WeakPolarHBondContact O-CA 3.24Å; S778-A825 WeakPolarHBondContact O-CB 2.98Å; H816-A825 PolarHBondContact NE2-O 3.08Å; R821-A825 HydrophobicContact CB-CB 4.17Å; P822-A825 HydrophobicContact CG-CB 4.18Å; P822-A825 WeakPolarHBondContact O-CB 3.4Å; P822-A825 PolarHBondContact O-N 3Å; E823-A825 PolarHBondContact O-N 2.88Å | ||
| 826 | S | 84.2 | Confident | 83.7 | Confident | 32 Ų | 32 | 56.2 Ų | 56.2 | 22% | 0.224 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 149.5 | -174.2 | 70.9 | 0 | 0 | 0 | 0 | 113.1 | S778 L780 Y824 | S778-S826 PolarHBondContact O-N 3.38Å; S778-S826 VanDerWaalsContact O-N 3.08Å; L780-S826 PolarHBondContact N-O 3.3Å; Y824-S826 PolarHBondContact O-N 3.39Å |
| 827 | V | 84.8 | Confident | 83.6 | Confident | 39 Ų | 39 | 53.7 Ų | 53.7 | 24% | 0.236 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 125.5 | 171.3 | -175 | 0 | 0 | 0 | 0 | 108.2 | L780 F809 A812 H816 | L780-V827 HydrophobicContact CB-CB 4.49Å; L780-V827 HydrophobicContact CB-CG1 4.38Å; L780-V827 HydrophobicContact CB-CG2 4.15Å; L780-V827 CarbonylContact O-C 3.45Å; L780-V827 WeakPolarHBondContact O-CA 3.35Å; F809-V827 HydrophobicContact CE2-CG1 4.47Å; A812-V827 HydrophobicContact CB-CG1 3.83Å; H816-V827 HydrophobicContact CB-CG2 3.62Å |
| 828 | S | 84.4 | Confident | 83.5 | Confident | 29 Ų | 29 | 50.6 Ų | 50.6 | 20% | 0.203 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 147.9 | 179.7 | 61.6 | 0 | 0 | 0 | 0 | 111.6 | L780 F781 L782 | L780-S828 PolarHBondContact O-N 3.14Å; L780-S828 PolarHBondContact O-OG 3.28Å; F781-S828 CarbonylContact C-O 3.6Å; F781-S828 VanDerWaalsContact CA-O 3.31Å; F781-S828 WeakPolarHBondContact CA-O 3.49Å; F781-S828 WeakPolarHBondContact CD1-OG 3.34Å; F781-S828 WeakPolarHBondContact CE1-OG 3.44Å; L782-S828 PolarHBondContact N-O 3.11Å |
| 829 | Q | 84.6 | Confident | 83.6 | Confident | 117 Ų | 117 | 49.3 Ų | 49.3 | 55% | 0.547 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 139.2 | 175.7 | -177.7 | 178.2 | -34 | 0 | 0 | 110.2 | L782 I784 | L782-Q829 HydrophobicContact CD2-CG 4.29Å; I784-Q829 HydrophobicContact CD1-CG 3.83Å |
| 830 | V | 86 | Confident | 83.6 | Confident | 6 Ų | 6 | 50.1 Ų | 50.1 | 4% | 0.036 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 129.2 | -178.2 | -175.1 | 0 | 0 | 0 | 0 | 108.7 | F781 L782 W783 I784 E835 F839 | F781-V830 HydrophobicContact CB-CG2 4.45Å; F781-V830 HydrophobicContact CD1-CG2 4.03Å; L782-V830 PolarHBondContact O-N 2.76Å; L782-V830 VanDerWaalsContact O-O 3.13Å; W783-V830 CarbonylContact C-O 3.59Å; W783-V830 WeakPolarHBondContact CA-O 3.24Å; I784-V830 PolarHBondContact N-O 3.26Å; V830-E835 HydrophobicContact CG1-CB 4.03Å; V830-E835 HydrophobicContact CG1-CG 3.76Å; V830-F839 HydrophobicContact CG1-CD1 4.41Å; V830-F839 HydrophobicContact CG1-CG 4.42Å; V830-F839 HydrophobicContact CG2-CD2 4.23Å; V830-F839 HydrophobicContact CG2-CG 4.4Å |
| 831 | A | 84.1 | Confident | 83.7 | Confident | 37 Ų | 37 | 44.9 Ų | 44.9 | 31% | 0.306 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 153.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | G833 T834 | A831-G833 PolarHBondContact O-N 2.93Å; A831-T834 PolarHBondContact N-OG1 3.11Å; A831-T834 CarbonylContact O-C 3.58Å; A831-T834 PolarHBondContact O-N 3.12Å; A831-T834 PolarHBondContact O-OG1 2.77Å; A831-T834 VanDerWaalsContact O-OG1 3.08Å |
| 832 | E | 82.1 | Confident | 83.7 | Confident | 63 Ų | 63 | 45.4 Ų | 45.4 | 29% | 0.294 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | 125.6 | 174.8 | -178.5 | -177.1 | 169.8 | 0 | 0 | 111.2 | A768 W783 I784 G785 K786 T834 E835 | A768-E832 WeakPolarHBondContact CA-OE2 3.39Å; A768-E832 WeakPolarHBondContact CB-OE1 3.34Å; A768-E832 WeakPolarHBondContact CB-OE2 3.42Å; W783-E832 HydrophobicContact CH2-CB 4.08Å; W783-E832 HydrophobicContact CH2-CG 4.27Å; W783-E832 HydrophobicContact CZ2-CB 3.51Å; W783-E832 HydrophobicContact CZ2-CG 3.7Å; I784-E832 PolarHBondContact O-N 3.26Å; G785-E832 WeakPolarHBondContact CA-OE2 3.47Å; K786-E832 HydrophobicContact CB-CB 4.03Å; K786-E832 HydrophobicContact CB-CG 4.17Å; K786-E832 WeakPolarHBondContact CB-OE2 3.4Å; K786-E832 PolarHBondContact N-OE2 3.3Å; E832-T834 VanDerWaalsContact C-N 3.33Å; E832-E835 WeakPolarHBondContact CA-OE1 3.33Å |
| 833 | G | 79.8 | Confident | 83.9 | Confident | 68 Ų | 68 | 44.4 Ų | 44.4 | 70% | 0.701 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 90.4 | -10.6 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | A831 E835 | A831-G833 PolarHBondContact O-N 2.93Å; G833-E835 VanDerWaalsContact CA-OE2 3.26Å; G833-E835 WeakPolarHBondContact CA-OE2 3.27Å; G833-E835 VanDerWaalsContact N-CD 3.35Å; G833-E835 PolarHBondContact N-OE1 2.86Å; G833-E835 PolarHBondContact N-OE2 3.18Å |
| 834 | T | 80.6 | Confident | 84 | Confident | 96 Ų | 96 | 36.7 Ų | 36.7 | 59% | 0.589 | 22% | 0.217 | S | C | * | . | trans | -117.3 | 25.2 | 174.1 | 74.5 | 0 | 0 | 0 | 0 | 111.5 | A831 E832 T836 | A831-T834 PolarHBondContact N-OG1 3.11Å; A831-T834 CarbonylContact O-C 3.58Å; A831-T834 PolarHBondContact O-N 3.12Å; A831-T834 PolarHBondContact O-OG1 2.77Å; A831-T834 VanDerWaalsContact O-OG1 3.08Å; E832-T834 VanDerWaalsContact C-N 3.33Å; T834-T836 PolarHBondContact O-N 3.13Å | ||
| 835 | E | 87.3 | Confident | 83.5 | Confident | 20 Ų | 20 | 35.6 Ų | 35.6 | 9% | 0.093 | 23% | 0.227 | C | C | . | . | trans | -65.6 | 126.5 | -179.3 | -62.2 | 90 | 163.5 | 0 | 0 | 111.9 | W783 V830 E832 G833 F839 K840 W846 | W783-E835 PolarHBondContact NE1-OE1 2.76Å; V830-E835 HydrophobicContact CG1-CB 4.03Å; V830-E835 HydrophobicContact CG1-CG 3.76Å; E832-E835 WeakPolarHBondContact CA-OE1 3.33Å; G833-E835 VanDerWaalsContact CA-OE2 3.26Å; G833-E835 WeakPolarHBondContact CA-OE2 3.27Å; G833-E835 VanDerWaalsContact N-CD 3.35Å; G833-E835 PolarHBondContact N-OE1 2.86Å; G833-E835 PolarHBondContact N-OE2 3.18Å; E835-F839 HydrophobicContact CB-CD1 3.88Å; E835-F839 HydrophobicContact CB-CE1 4.47Å; E835-F839 HydrophobicContact CG-CD1 3.82Å; E835-F839 HydrophobicContact CG-CE1 3.92Å; E835-K840 HydrophobicContact CB-CD 4.39Å; E835-K840 HydrophobicContact CB-CG 3.97Å; E835-K840 VanDerWaalsContact O-CE 3.26Å; E835-K840 WeakPolarHBondContact O-CE 3.33Å; E835-W846 HydrophobicContact CB-CZ2 4.41Å; E835-W846 HydrophobicContact CG-CH2 4.02Å; E835-W846 HydrophobicContact CG-CZ2 3.79Å | ||
| 836 | T | 84.3 | Confident | 82.9 | Confident | 16 Ų | 16 | 36.4 Ų | 36.4 | 10% | 0.098 | 23% | 0.227 | C | C | . | . | trans | -66.8 | 152.8 | 175.7 | 63.7 | 0 | 0 | 0 | 0 | 111.1 | E690 T834 F838 F839 K840 | E690-T836 WeakPolarHBondContact OE1-CA 3.41Å; E690-T836 WeakPolarHBondContact OE1-CB 3.35Å; T834-T836 PolarHBondContact O-N 3.13Å; T836-F838 PolarHBondContact O-N 2.73Å; T836-F839 PolarHBondContact O-N 2.78Å; T836-F839 VanDerWaalsContact O-N 3.13Å; T836-F839 WeakPolarHBondContact OG1-CB 3.44Å; T836-F839 PolarHBondContact OG1-N 2.74Å; T836-F839 VanDerWaalsContact OG1-N 3.12Å; T836-K840 VanDerWaalsContact O-CG 3.32Å; T836-K840 WeakPolarHBondContact O-CG 3.34Å; T836-K840 PolarHBondContact O-N 3.27Å | ||
| 837 | M | 83.8 | Confident | 82 | Confident | 4 Ų | 4 | 37.7 Ų | 37.7 | 2% | 0.02 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -55.1 | -37.3 | 171.8 | -76.8 | -64.6 | -64.4 | 0 | 0 | 111.4 | F682 K685 M686 E690 K840 S841 V849 | F682-M837 HydrophobicContact CD2-CE 3.83Å; F682-M837 HydrophobicContact CE1-CB 4.44Å; F682-M837 HydrophobicContact CE2-CB 4.03Å; F682-M837 HydrophobicContact CE2-CE 3.8Å; F682-M837 HydrophobicContact CZ-CB 3.75Å; K685-M837 HydrophobicContact CB-CE 3.99Å; K685-M837 HydrophobicContact CD-CE 3.58Å; K685-M837 HydrophobicContact CD-SD 3.94Å; K685-M837 HydrophobicContact CG-CE 3.7Å; K685-M837 HydrophobicContact CG-SD 3.84Å; M686-M837 HydrophobicContact CB-CB 4.4Å; M686-M837 HydrophobicContact CB-CG 4.31Å; M686-M837 HydrophobicContact CG-CB 4.47Å; E690-M837 WeakPolarHBondContact OE1-CB 3.45Å; E690-M837 PolarHBondContact OE1-N 2.89Å; M837-K840 PolarHBondContact O-N 2.87Å; M837-S841 WeakPolarHBondContact O-CB 3.47Å; M837-S841 PolarHBondContact O-N 3.23Å; M837-V849 HydrophobicContact CE-CG2 4.32Å |
| 838 | F | 83.9 | Confident | 80.6 | Confident | 15 Ų | 15 | 40 Ų | 40 | 7% | 0.066 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.2 | -46.3 | 175.8 | -173 | -117.9 | 0 | 0 | 0 | 112.1 | Y628 L639 D779 F781 T836 S841 | Y628-F838 HydrophobicContact CD1-CD2 4.05Å; Y628-F838 AromaticContact CD1-CE2 3.47Å; Y628-F838 HydrophobicContact CD1-CE2 3.47Å; Y628-F838 VanDerWaalsContact CD1-CE2 3.47Å; Y628-F838 AromaticContact CD1-CZ 3.84Å; Y628-F838 HydrophobicContact CD1-CZ 3.84Å; Y628-F838 HydrophobicContact CE1-CD1 4.4Å; Y628-F838 AromaticContact CE1-CD2 3.94Å; Y628-F838 HydrophobicContact CE1-CD2 3.94Å; Y628-F838 HydrophobicContact CE1-CE1 4.08Å; Y628-F838 AromaticContact CE1-CE2 3.59Å; Y628-F838 HydrophobicContact CE1-CE2 3.59Å; Y628-F838 HydrophobicContact CE1-CG 4.34Å; Y628-F838 AromaticContact CE1-CZ 3.68Å; Y628-F838 HydrophobicContact CE1-CZ 3.68Å; Y628-F838 HydrophobicContact CG-CE2 4.33Å; L639-F838 HydrophobicContact CB-CD2 3.73Å; L639-F838 HydrophobicContact CB-CE2 3.49Å; L639-F838 VanDerWaalsContact CB-CE2 3.49Å; L639-F838 HydrophobicContact CD2-CD2 4.31Å; L639-F838 HydrophobicContact CG-CD2 4.45Å; D779-F838 HydrophobicContact CB-CE1 4.27Å; D779-F838 WeakPolarHBondContact OD2-CZ 3.26Å; F781-F838 AromaticContact CE1-CD1 3.88Å; F781-F838 HydrophobicContact CE1-CD1 3.88Å; F781-F838 HydrophobicContact CE1-CE1 4.26Å; F781-F838 HydrophobicContact CE2-CE1 4.48Å; F781-F838 AromaticContact CZ-CD1 3.49Å; F781-F838 HydrophobicContact CZ-CD1 3.49Å; F781-F838 VanDerWaalsContact CZ-CD1 3.49Å; F781-F838 AromaticContact CZ-CE1 3.52Å; F781-F838 HydrophobicContact CZ-CE1 3.52Å; T836-F838 PolarHBondContact O-N 2.73Å; F838-S841 WeakPolarHBondContact O-CB 3.4Å; F838-S841 PolarHBondContact O-N 3.1Å; F838-S841 PolarHBondContact O-OG 2.99Å |
| 839 | F | 87.6 | Confident | 79.1 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.5 | -48.1 | 174.6 | 178.1 | -97 | 0 | 0 | 0 | 111.3 | L766 L774 F781 W783 V830 E835 T836 S841 K842 F843 W846 | L766-F839 HydrophobicContact CD1-CE1 4.06Å; L766-F839 HydrophobicContact CD1-CZ 4Å; L774-F839 HydrophobicContact CB-CE2 4.27Å; L774-F839 HydrophobicContact CD2-CD2 4.06Å; L774-F839 HydrophobicContact CD2-CE2 3.7Å; L774-F839 HydrophobicContact CD2-CZ 4.45Å; F781-F839 HydrophobicContact CB-CD2 3.58Å; F781-F839 HydrophobicContact CB-CE2 3.61Å; F781-F839 HydrophobicContact CD1-CB 4.3Å; F781-F839 AromaticContact CD1-CD2 3.68Å; F781-F839 HydrophobicContact CD1-CD2 3.68Å; F781-F839 HydrophobicContact CD1-CG 4.47Å; F781-F839 HydrophobicContact CD2-CD2 4.03Å; F781-F839 HydrophobicContact CE1-CB 4.3Å; F781-F839 HydrophobicContact CE1-CD2 4.34Å; F781-F839 AromaticContact CG-CD2 3.5Å; F781-F839 HydrophobicContact CG-CD2 3.5Å; F781-F839 HydrophobicContact CG-CE2 4.03Å; W783-F839 HydrophobicContact CB-CE2 4.26Å; W783-F839 HydrophobicContact CB-CZ 3.84Å; W783-F839 AromaticContact CD1-CE1 3.54Å; W783-F839 AromaticContact CD1-CZ 3.5Å; W783-F839 VanDerWaalsContact CD1-CZ 3.5Å; W783-F839 HydrophobicContact CG-CE1 4.35Å; W783-F839 AromaticContact CG-CZ 3.89Å; W783-F839 HydrophobicContact CG-CZ 3.89Å; V830-F839 HydrophobicContact CG1-CD1 4.41Å; V830-F839 HydrophobicContact CG1-CG 4.42Å; V830-F839 HydrophobicContact CG2-CD2 4.23Å; V830-F839 HydrophobicContact CG2-CG 4.4Å; E835-F839 HydrophobicContact CB-CD1 3.88Å; E835-F839 HydrophobicContact CB-CE1 4.47Å; E835-F839 HydrophobicContact CG-CD1 3.82Å; E835-F839 HydrophobicContact CG-CE1 3.92Å; T836-F839 PolarHBondContact O-N 2.78Å; T836-F839 VanDerWaalsContact O-N 3.13Å; T836-F839 WeakPolarHBondContact OG1-CB 3.44Å; T836-F839 PolarHBondContact OG1-N 2.74Å; T836-F839 VanDerWaalsContact OG1-N 3.12Å; F839-S841 PolarHBondContact O-N 3.28Å; F839-K842 WeakPolarHBondContact O-CB 3.41Å; F839-K842 PolarHBondContact O-N 3.5Å; F839-K842 VanDerWaalsContact O-N 3.1Å; F839-F843 HydrophobicContact CD1-CE2 4.07Å; F839-F843 HydrophobicContact CD2-CE2 4.48Å; F839-F843 HydrophobicContact CE1-CD2 4.34Å; F839-F843 AromaticContact CE1-CE2 3.55Å; F839-F843 HydrophobicContact CE1-CE2 3.55Å; F839-F843 HydrophobicContact CE1-CZ 4.09Å; F839-F843 HydrophobicContact CE2-CE2 4.02Å; F839-F843 HydrophobicContact CE2-CZ 4.48Å; F839-F843 AromaticContact CZ-CE2 3.53Å; F839-F843 HydrophobicContact CZ-CE2 3.53Å; F839-F843 AromaticContact CZ-CZ 3.81Å; F839-F843 HydrophobicContact CZ-CZ 3.81Å; F839-F843 WeakPolarHBondContact O-CD2 3.38Å; F839-W846 HydrophobicContact CD1-CH2 4.27Å; F839-W846 HydrophobicContact CD1-CZ3 4.31Å; F839-W846 AromaticContact CE1-CH2 3.58Å; F839-W846 HydrophobicContact CE1-CH2 3.58Å; F839-W846 AromaticContact CE1-CZ3 3.67Å; F839-W846 HydrophobicContact CE1-CZ3 3.67Å |
| 840 | K | 85.9 | Confident | 77.3 | Confident | 33 Ų | 33 | 36.3 Ų | 36.3 | 14% | 0.143 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59 | -34.2 | 178.6 | -69.5 | 172.8 | 172.8 | -169.5 | 0 | 112.8 | E835 T836 M837 K842 F843 W846 D847 | E835-K840 HydrophobicContact CB-CD 4.39Å; E835-K840 HydrophobicContact CB-CG 3.97Å; E835-K840 VanDerWaalsContact O-CE 3.26Å; E835-K840 WeakPolarHBondContact O-CE 3.33Å; T836-K840 VanDerWaalsContact O-CG 3.32Å; T836-K840 WeakPolarHBondContact O-CG 3.34Å; T836-K840 PolarHBondContact O-N 3.27Å; M837-K840 PolarHBondContact O-N 2.87Å; K840-K842 PolarHBondContact O-N 2.97Å; K840-K842 VanDerWaalsContact O-N 3.15Å; K840-F843 PolarHBondContact O-N 3.35Å; K840-W846 HydrophobicContact CB-CG 4.39Å; K840-W846 HydrophobicContact CG-CD2 4.19Å; K840-W846 HydrophobicContact CG-CG 4.18Å; K840-D847 HydrophobicContact CD-CB 4.18Å; K840-D847 VanDerWaalsContact CD-OD2 3.32Å; K840-D847 WeakPolarHBondContact CD-OD2 3.36Å; K840-D847 WeakPolarHBondContact CE-OD2 2.91Å; K840-D847 IonicContact NZ-OD2 2.87Å; K840-D847 PolarHBondContact NZ-OD2 3.07Å |
| 841 | S | 83.5 | Confident | 75.3 | Confident | 22 Ų | 22 | 40.2 Ų | 40.2 | 15% | 0.154 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.9 | -20.9 | 178.4 | 80.3 | 0 | 0 | 0 | 0 | 114.1 | L639 M837 F838 F839 F843 | L639-S841 VanDerWaalsContact CD1-CB 3.5Å; L639-S841 WeakPolarHBondContact CD1-OG 3.42Å; M837-S841 WeakPolarHBondContact O-CB 3.47Å; M837-S841 PolarHBondContact O-N 3.23Å; F838-S841 WeakPolarHBondContact O-CB 3.4Å; F838-S841 PolarHBondContact O-N 3.1Å; F838-S841 PolarHBondContact O-OG 2.99Å; F839-S841 PolarHBondContact O-N 3.28Å; S841-F843 PolarHBondContact O-N 3.39Å |
| 842 | K | 85.9 | Confident | 73.4 | Confident | 41 Ų | 41 | 40.6 Ų | 40.6 | 18% | 0.178 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -13.2 | 176.2 | -52.6 | -60 | -175.6 | 173.4 | 0 | 112.4 | L639 L761 L774 D779 F839 K840 | L639-K842 PolarHBondContact O-NZ 2.74Å; L761-K842 HydrophobicContact CD1-CB 4.49Å; L774-K842 HydrophobicContact CD2-CB 4.03Å; L774-K842 HydrophobicContact CD2-CG 4.23Å; D779-K842 IonicContact OD2-NZ 3.44Å; F839-K842 WeakPolarHBondContact O-CB 3.41Å; F839-K842 PolarHBondContact O-N 3.5Å; F839-K842 VanDerWaalsContact O-N 3.1Å; K840-K842 PolarHBondContact O-N 2.97Å; K840-K842 VanDerWaalsContact O-N 3.15Å |
| 843 | F | 85.7 | Confident | 71.4 | Confident | 8 Ų | 8 | 39 Ų | 39 | 4% | 0.035 | 25% | 0.25 | C | S | . | . | B | Isolated β-bridge | trans | -109.6 | 144.9 | -176.6 | -66 | -103.4 | 0 | 0 | 0 | 112.5 | L761 L766 L774 F839 K840 S841 G845 W846 | L761-F843 HydrophobicContact CB-CB 4.49Å; L761-F843 HydrophobicContact CB-CD1 3.56Å; L761-F843 HydrophobicContact CB-CE1 3.92Å; L761-F843 HydrophobicContact CB-CG 4.03Å; L766-F843 HydrophobicContact CD1-CE1 3.86Å; L766-F843 HydrophobicContact CD1-CE2 4.47Å; L766-F843 HydrophobicContact CD1-CZ 3.67Å; L766-F843 HydrophobicContact CD2-CZ 4.49Å; L766-F843 HydrophobicContact CG-CE1 4.12Å; L766-F843 HydrophobicContact CG-CZ 4.23Å; L774-F843 HydrophobicContact CD2-CE2 3.78Å; L774-F843 HydrophobicContact CD2-CZ 4.15Å; F839-F843 HydrophobicContact CD1-CE2 4.07Å; F839-F843 HydrophobicContact CD2-CE2 4.48Å; F839-F843 HydrophobicContact CE1-CD2 4.34Å; F839-F843 AromaticContact CE1-CE2 3.55Å; F839-F843 HydrophobicContact CE1-CE2 3.55Å; F839-F843 HydrophobicContact CE1-CZ 4.09Å; F839-F843 HydrophobicContact CE2-CE2 4.02Å; F839-F843 HydrophobicContact CE2-CZ 4.48Å; F839-F843 AromaticContact CZ-CE2 3.53Å; F839-F843 HydrophobicContact CZ-CE2 3.53Å; F839-F843 AromaticContact CZ-CZ 3.81Å; F839-F843 HydrophobicContact CZ-CZ 3.81Å; F839-F843 WeakPolarHBondContact O-CD2 3.38Å; K840-F843 PolarHBondContact O-N 3.35Å; S841-F843 PolarHBondContact O-N 3.39Å; F843-G845 PolarHBondContact O-N 3.34Å; F843-W846 HydrophobicContact CB-CB 4.03Å; F843-W846 HydrophobicContact CB-CD2 4.4Å; F843-W846 HydrophobicContact CB-CE3 3.53Å; F843-W846 HydrophobicContact CB-CZ3 4.36Å; F843-W846 AromaticContact CD1-CE3 3.69Å; F843-W846 HydrophobicContact CD1-CE3 3.69Å; F843-W846 AromaticContact CD1-CZ3 3.73Å; F843-W846 HydrophobicContact CD1-CZ3 3.73Å; F843-W846 AromaticContact CD2-CE3 3.52Å; F843-W846 HydrophobicContact CD2-CE3 3.52Å; F843-W846 AromaticContact CD2-CZ3 3.56Å; F843-W846 HydrophobicContact CD2-CZ3 3.56Å; F843-W846 HydrophobicContact CE1-CE3 4.24Å; F843-W846 AromaticContact CE1-CZ3 3.79Å; F843-W846 HydrophobicContact CE1-CZ3 3.79Å; F843-W846 HydrophobicContact CE2-CE3 4.11Å; F843-W846 AromaticContact CE2-CZ3 3.64Å; F843-W846 HydrophobicContact CE2-CZ3 3.64Å; F843-W846 AromaticContact CG-CE3 3.31Å; F843-W846 HydrophobicContact CG-CE3 3.31Å; F843-W846 AromaticContact CG-CZ3 3.64Å; F843-W846 HydrophobicContact CG-CZ3 3.64Å; F843-W846 HydrophobicContact CZ-CE3 4.45Å; F843-W846 AromaticContact CZ-CZ3 3.77Å; F843-W846 HydrophobicContact CZ-CZ3 3.77Å |
| 844 | V | 79.1 | Confident | 69.6 | Low | 45 Ų | 45 | 40.3 Ų | 40.3 | 27% | 0.273 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | 112.7 | -176.3 | 179.1 | 0 | 0 | 0 | 0 | 109.7 | Q636 K759 L761 W846 | Q636-V844 VanDerWaalsContact OE1-CG2 3.26Å; K759-V844 VanDerWaalsContact O-CG2 3.28Å; K759-V844 WeakPolarHBondContact O-CG2 3.39Å; L761-V844 WeakPolarHBondContact O-CB 3.48Å; L761-V844 WeakPolarHBondContact O-CG2 3.34Å; L761-V844 PolarHBondContact O-N 3.2Å; V844-W846 VanDerWaalsContact C-N 3.33Å; V844-W846 PolarHBondContact O-N 2.79Å |
| 845 | G | 71.7 | Confident | 67.7 | Low | 46 Ų | 46 | 39 Ų | 39 | 47% | 0.474 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.7 | 18.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q636 F843 | Q636-G845 VanDerWaalsContact NE2-N 3.19Å; F843-G845 PolarHBondContact O-N 3.34Å |
| 846 | W | 72.4 | Confident | 65.6 | Low | 28 Ų | 28 | 41.6 Ų | 41.6 | 11% | 0.106 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -67.3 | -47 | 174.1 | -165.3 | -37.5 | 0 | 0 | 0 | 110.4 | Q763 L766 E835 F839 K840 F843 V844 | Q763-W846 HydrophobicContact CB-CD2 3.87Å; Q763-W846 HydrophobicContact CB-CE3 3.84Å; Q763-W846 HydrophobicContact CB-CG 4.24Å; Q763-W846 HydrophobicContact CB-CZ3 4.33Å; Q763-W846 HydrophobicContact CG-CD2 3.79Å; Q763-W846 HydrophobicContact CG-CE3 3.98Å; Q763-W846 HydrophobicContact CG-CG 4.37Å; Q763-W846 HydrophobicContact CG-CH2 4.12Å; Q763-W846 HydrophobicContact CG-CZ2 3.87Å; Q763-W846 HydrophobicContact CG-CZ3 4.18Å; L766-W846 HydrophobicContact CD1-CH2 3.3Å; L766-W846 HydrophobicContact CD1-CZ3 3.37Å; E835-W846 HydrophobicContact CB-CZ2 4.41Å; E835-W846 HydrophobicContact CG-CH2 4.02Å; E835-W846 HydrophobicContact CG-CZ2 3.79Å; F839-W846 HydrophobicContact CD1-CH2 4.27Å; F839-W846 HydrophobicContact CD1-CZ3 4.31Å; F839-W846 AromaticContact CE1-CH2 3.58Å; F839-W846 HydrophobicContact CE1-CH2 3.58Å; F839-W846 AromaticContact CE1-CZ3 3.67Å; F839-W846 HydrophobicContact CE1-CZ3 3.67Å; K840-W846 HydrophobicContact CB-CG 4.39Å; K840-W846 HydrophobicContact CG-CD2 4.19Å; K840-W846 HydrophobicContact CG-CG 4.18Å; F843-W846 HydrophobicContact CB-CB 4.03Å; F843-W846 HydrophobicContact CB-CD2 4.4Å; F843-W846 HydrophobicContact CB-CE3 3.53Å; F843-W846 HydrophobicContact CB-CZ3 4.36Å; F843-W846 AromaticContact CD1-CE3 3.69Å; F843-W846 HydrophobicContact CD1-CE3 3.69Å; F843-W846 AromaticContact CD1-CZ3 3.73Å; F843-W846 HydrophobicContact CD1-CZ3 3.73Å; F843-W846 AromaticContact CD2-CE3 3.52Å; F843-W846 HydrophobicContact CD2-CE3 3.52Å; F843-W846 AromaticContact CD2-CZ3 3.56Å; F843-W846 HydrophobicContact CD2-CZ3 3.56Å; F843-W846 HydrophobicContact CE1-CE3 4.24Å; F843-W846 AromaticContact CE1-CZ3 3.79Å; F843-W846 HydrophobicContact CE1-CZ3 3.79Å; F843-W846 HydrophobicContact CE2-CE3 4.11Å; F843-W846 AromaticContact CE2-CZ3 3.64Å; F843-W846 HydrophobicContact CE2-CZ3 3.64Å; F843-W846 AromaticContact CG-CE3 3.31Å; F843-W846 HydrophobicContact CG-CE3 3.31Å; F843-W846 AromaticContact CG-CZ3 3.64Å; F843-W846 HydrophobicContact CG-CZ3 3.64Å; F843-W846 HydrophobicContact CZ-CE3 4.45Å; F843-W846 AromaticContact CZ-CZ3 3.77Å; F843-W846 HydrophobicContact CZ-CZ3 3.77Å; V844-W846 VanDerWaalsContact C-N 3.33Å; V844-W846 PolarHBondContact O-N 2.79Å |
| 847 | D | 65.2 | Low | 63.5 | Low | 58 Ų | 58 | 45.3 Ų | 45.3 | 31% | 0.31 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -154.7 | 71.4 | -176 | -109.5 | -45.1 | 0 | 0 | 0 | 108.9 | K685 K840 V849 | K685-D847 IonicContact NZ-OD1 3.6Å; K685-D847 PolarHBondContact NZ-OD1 3.11Å; K840-D847 HydrophobicContact CD-CB 4.18Å; K840-D847 VanDerWaalsContact CD-OD2 3.32Å; K840-D847 WeakPolarHBondContact CD-OD2 3.36Å; K840-D847 WeakPolarHBondContact CE-OD2 2.91Å; K840-D847 IonicContact NZ-OD2 2.87Å; K840-D847 PolarHBondContact NZ-OD2 3.07Å; D847-V849 PolarHBondContact O-N 3.23Å |
| 848 | D | 54.7 | Low | 61.4 | Low | 88 Ų | 88 | 47 Ų | 47 | 47% | 0.471 | 28% | 0.275 | S | S | . | . | trans | -57.1 | 117.1 | 177.4 | -76.2 | -24.4 | 0 | 0 | 0 | 108.7 | I850 | D848-I850 PolarHBondContact O-N 3.34Å; D848-I850 VanDerWaalsContact O-N 3.08Å | ||
| 849 | V | 52.1 | Low | 59.5 | Low | 36 Ų | 36 | 51.2 Ų | 51.2 | 22% | 0.218 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -54.9 | -27.5 | 175.5 | -179 | 0 | 0 | 0 | 0 | 111 | L681 F682 M837 D847 | L681-V849 VanDerWaalsContact C-CG1 3.46Å; L681-V849 HydrophobicContact CB-CG1 3.49Å; L681-V849 VanDerWaalsContact CB-CG1 3.49Å; F682-V849 HydrophobicContact CB-CG1 4.06Å; F682-V849 HydrophobicContact CB-CG2 3.96Å; F682-V849 HydrophobicContact CD2-CG2 3.55Å; F682-V849 HydrophobicContact CG-CG2 4.23Å; F682-V849 VanDerWaalsContact N-CG1 3.26Å; M837-V849 HydrophobicContact CE-CG2 4.32Å; D847-V849 PolarHBondContact O-N 3.23Å |
| 850 | I | 46.7 | Very low | 57.4 | Low | 32 Ų | 32 | 54.4 Ų | 54.4 | 16% | 0.164 | 32% | 0.321 | C | S | . | . | trans | -130.3 | 100.3 | 179.5 | -61.5 | -178.7 | 0 | 0 | 0 | 107 | K678 L681 D848 V852 | K678-I850 HydrophobicContact CB-CD1 4.1Å; K678-I850 HydrophobicContact CD-CD1 3.71Å; K678-I850 HydrophobicContact CG-CD1 3.48Å; K678-I850 VanDerWaalsContact CG-CD1 3.48Å; L681-I850 HydrophobicContact CD1-CD1 3.89Å; L681-I850 HydrophobicContact CD1-CG1 3.74Å; D848-I850 PolarHBondContact O-N 3.34Å; D848-I850 VanDerWaalsContact O-N 3.08Å; I850-V852 WeakPolarHBondContact CG2-O 3.49Å; I850-V852 PolarHBondContact O-N 2.92Å | ||
| 851 | A | 44.7 | Very low | 55.4 | Low | 89 Ų | 89 | 54.8 Ų | 54.8 | 74% | 0.736 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -63.5 | -23.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 852 | V | 44.3 | Very low | 53.7 | Low | 44 Ų | 44 | 61.2 Ų | 61.2 | 27% | 0.267 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -142.6 | 115.2 | -176.8 | -178.2 | 0 | 0 | 0 | 0 | 110.5 | I850 F854 I877 | I850-V852 WeakPolarHBondContact CG2-O 3.49Å; I850-V852 PolarHBondContact O-N 2.92Å; V852-F854 HydrophobicContact CB-CE1 4.06Å; V852-F854 HydrophobicContact CB-CE2 4.25Å; V852-F854 HydrophobicContact CB-CZ 3.79Å; V852-F854 HydrophobicContact CG1-CD1 4.16Å; V852-F854 HydrophobicContact CG1-CE1 3.72Å; V852-F854 HydrophobicContact CG1-CZ 4.01Å; V852-F854 WeakPolarHBondContact O-CD2 3.27Å; V852-F854 WeakPolarHBondContact O-CE2 3.49Å; V852-F854 PolarHBondContact O-N 3.48Å; V852-F854 VanDerWaalsContact O-N 3.11Å; V852-I877 HydrophobicContact CG1-CD1 4Å; V852-I877 HydrophobicContact CG1-CG1 4.49Å |
| 853 | D | 39.9 | Very low | 51.9 | Low | 30 Ų | 30 | 69.6 Ų | 69.6 | 16% | 0.16 | 38% | 0.384 | C | S | . | . | trans | -75.7 | 98.3 | 178.6 | -169.2 | -14.8 | 0 | 0 | 0 | 111.3 | M635 T855 | M635-D853 HydrophobicContact CE-CB 4.01Å; D853-T855 PolarHBondContact O-N 3.34Å; D853-T855 VanDerWaalsContact O-N 3.13Å; D853-T855 PolarHBondContact OD1-N 3.13Å; D853-T855 VanDerWaalsContact OD1-N 3.1Å; D853-T855 PolarHBondContact OD1-OG1 3.5Å | ||
| 854 | F | 43 | Very low | 49.9 | Very low | 95 Ų | 95 | 77.3 Ų | 77.3 | 42% | 0.417 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | 9.2 | 179.7 | -56.1 | -73.6 | 0 | 0 | 0 | 115 | Y393 V852 V1227 | Y393-F854 WeakPolarHBondContact OH-CA 3.39Å; Y393-F854 PolarHBondContact OH-O 3.49Å; V852-F854 HydrophobicContact CB-CE1 4.06Å; V852-F854 HydrophobicContact CB-CE2 4.25Å; V852-F854 HydrophobicContact CB-CZ 3.79Å; V852-F854 HydrophobicContact CG1-CD1 4.16Å; V852-F854 HydrophobicContact CG1-CE1 3.72Å; V852-F854 HydrophobicContact CG1-CZ 4.01Å; V852-F854 WeakPolarHBondContact O-CD2 3.27Å; V852-F854 WeakPolarHBondContact O-CE2 3.49Å; V852-F854 PolarHBondContact O-N 3.48Å; V852-F854 VanDerWaalsContact O-N 3.11Å; F854-V1227 HydrophobicContact CB-CG2 4.14Å; F854-V1227 HydrophobicContact CD1-CB 4.28Å; F854-V1227 HydrophobicContact CD1-CG1 3.6Å; F854-V1227 HydrophobicContact CD1-CG2 3.63Å; F854-V1227 HydrophobicContact CD2-CG2 3.48Å; F854-V1227 VanDerWaalsContact CD2-CG2 3.48Å; F854-V1227 HydrophobicContact CE1-CB 4.11Å; F854-V1227 HydrophobicContact CE1-CG1 3.14Å; F854-V1227 HydrophobicContact CE1-CG2 3.85Å; F854-V1227 HydrophobicContact CE2-CB 4.43Å; F854-V1227 HydrophobicContact CE2-CG1 4.18Å; F854-V1227 HydrophobicContact CE2-CG2 3.69Å; F854-V1227 HydrophobicContact CG-CG1 4.3Å; F854-V1227 HydrophobicContact CG-CG2 3.45Å; F854-V1227 VanDerWaalsContact CG-CG2 3.45Å; F854-V1227 HydrophobicContact CZ-CB 4.18Å; F854-V1227 HydrophobicContact CZ-CG1 3.47Å; F854-V1227 VanDerWaalsContact CZ-CG1 3.47Å; F854-V1227 HydrophobicContact CZ-CG2 3.87Å |
| 855 | T | 39.9 | Very low | 48.3 | Very low | 69 Ų | 69 | 78.9 Ų | 78.9 | 42% | 0.423 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.9 | 5.7 | -174.9 | 67.6 | 0 | 0 | 0 | 0 | 115.3 | Y393 V674 D853 | Y393-T855 PolarHBondContact OH-N 3.07Å; V674-T855 HydrophobicContact CG2-CG2 4.23Å; V674-T855 VanDerWaalsContact CG2-OG1 3.31Å; V674-T855 WeakPolarHBondContact CG2-OG1 3.4Å; D853-T855 PolarHBondContact O-N 3.34Å; D853-T855 VanDerWaalsContact O-N 3.13Å; D853-T855 PolarHBondContact OD1-N 3.13Å; D853-T855 VanDerWaalsContact OD1-N 3.1Å; D853-T855 PolarHBondContact OD1-OG1 3.5Å |
| 856 | R | 44.2 | Very low | 46.8 | Very low | 75 Ų | 75 | 81 Ų | 81 | 28% | 0.283 | 44% | 0.441 | S | S | . | . | trans | -77.7 | 135.2 | -177.8 | -73.4 | -175 | 171.3 | 179.2 | -2.1 | 113.5 | Y393 M635 | Y393-R856 PolarHBondContact OH-N 3.03Å; M635-R856 PolarHBondContact SD-NH2 2.93Å | ||
| 857 | T | 40.3 | Very low | 45.5 | Very low | 93 Ų | 93 | 84.6 Ų | 84.6 | 57% | 0.571 | 46% | 0.463 | S | S | * | . | trans | -107.8 | 158.4 | 168.5 | 52.9 | 0 | 0 | 0 | 0 | 111.8 | D859 S860 | T857-D859 VanDerWaalsContact C-N 3.33Å; T857-D859 PolarHBondContact O-N 2.98Å; T857-S860 WeakPolarHBondContact O-CB 3.12Å; T857-S860 PolarHBondContact O-N 3.28Å; T857-S860 VanDerWaalsContact O-N 3.11Å | ||
| 858 | A | 39.6 | Very low | 44.4 | Very low | 39 Ų | 39 | 87.2 Ų | 87.2 | 32% | 0.322 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -54.6 | -44.4 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | F392 S860 V861 Q862 | F392-A858 HydrophobicContact CD1-CB 4.35Å; F392-A858 HydrophobicContact CD2-CB 3.17Å; F392-A858 HydrophobicContact CE1-CB 4.48Å; F392-A858 HydrophobicContact CE2-CB 3.35Å; F392-A858 HydrophobicContact CG-CB 3.75Å; F392-A858 HydrophobicContact CZ-CB 4.05Å; A858-S860 PolarHBondContact O-N 3.47Å; A858-V861 PolarHBondContact O-N 3.04Å; A858-Q862 PolarHBondContact O-N 3.17Å |
| 859 | D | 43.2 | Very low | 44 | Very low | 104 Ų | 104 | 88.3 Ų | 88.3 | 56% | 0.556 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -64.1 | -28 | -177.9 | -66.5 | -23.5 | 0 | 0 | 0 | 113.2 | T857 V861 R863 | T857-D859 VanDerWaalsContact C-N 3.33Å; T857-D859 PolarHBondContact O-N 2.98Å; D859-V861 VanDerWaalsContact C-N 3.34Å; D859-V861 PolarHBondContact O-N 3.14Å; D859-R863 WeakPolarHBondContact O-CG 3.45Å; D859-R863 PolarHBondContact O-N 3.35Å |
| 860 | S | 44.2 | Very low | 43.8 | Very low | 68 Ų | 68 | 90.8 Ų | 90.8 | 48% | 0.476 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -70.8 | -30.5 | -178.4 | -179.4 | 0 | 0 | 0 | 0 | 112.7 | T857 A858 | T857-S860 WeakPolarHBondContact O-CB 3.12Å; T857-S860 PolarHBondContact O-N 3.28Å; T857-S860 VanDerWaalsContact O-N 3.11Å; A858-S860 PolarHBondContact O-N 3.47Å |
| 861 | V | 43.9 | Very low | 43.6 | Very low | 40 Ų | 40 | 91.9 Ų | 91.9 | 24% | 0.242 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -87.7 | -34 | -177.4 | 170.9 | 0 | 0 | 0 | 0 | 110.7 | F392 A858 D859 R863 R864 | F392-V861 HydrophobicContact CE1-CB 3.77Å; F392-V861 HydrophobicContact CE1-CG1 4.47Å; F392-V861 HydrophobicContact CE1-CG2 3.56Å; F392-V861 HydrophobicContact CZ-CB 3.66Å; F392-V861 HydrophobicContact CZ-CG1 4.13Å; F392-V861 HydrophobicContact CZ-CG2 4Å; A858-V861 PolarHBondContact O-N 3.04Å; D859-V861 VanDerWaalsContact C-N 3.34Å; D859-V861 PolarHBondContact O-N 3.14Å; V861-R863 PolarHBondContact O-N 3.18Å; V861-R864 PolarHBondContact O-N 3.02Å |
| 862 | Q | 47.5 | Very low | 43.5 | Very low | 158 Ų | 158 | 90.1 Ų | 90.1 | 74% | 0.738 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -67.7 | -32.9 | 179.9 | -143.1 | 160.2 | 9.9 | 0 | 0 | 112.8 | A858 R864 | A858-Q862 PolarHBondContact O-N 3.17Å; Q862-R864 VanDerWaalsContact C-N 3.27Å; Q862-R864 PolarHBondContact O-N 3.42Å |
| 863 | R | 47.9 | Very low | 43.7 | Very low | 216 Ų | 216 | 94.9 Ų | 94.9 | 82% | 0.815 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -17.1 | 179.8 | -76.8 | -175.7 | -163.5 | 176.3 | 6.1 | 115.6 | D859 V861 | D859-R863 WeakPolarHBondContact O-CG 3.45Å; D859-R863 PolarHBondContact O-N 3.35Å; V861-R863 PolarHBondContact O-N 3.18Å |
| 864 | R | 44.4 | Very low | 44.1 | Very low | 170 Ų | 170 | 101.9 Ų | 101.9 | 64% | 0.642 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.2 | -1.1 | -169.2 | -85.8 | -165.9 | 173.3 | -154.5 | -2.9 | 116.5 | H634 V861 Q862 V866 | H634-R864 PolarHBondContact ND1-NH1 3.25Å; V861-R864 PolarHBondContact O-N 3.02Å; Q862-R864 VanDerWaalsContact C-N 3.27Å; Q862-R864 PolarHBondContact O-N 3.42Å; R864-V866 WeakPolarHBondContact O-CG2 3.38Å; R864-V866 PolarHBondContact O-N 3Å |
| 865 | G | 45.1 | Very low | 44.1 | Very low | 79 Ų | 79 | 101.9 Ų | 101.9 | 81% | 0.814 | 53% | 0.533 | S | S | * | . | trans | 56.3 | 21.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 866 | V | 39.7 | Very low | 44.4 | Very low | 89 Ų | 89 | 105.1 Ų | 105.1 | 54% | 0.539 | 54% | 0.541 | S | S | . | . | trans | -88.2 | 137.4 | 175.8 | -178.6 | 0 | 0 | 0 | 0 | 108.5 | R864 L868 I871 | R864-V866 WeakPolarHBondContact O-CG2 3.38Å; R864-V866 PolarHBondContact O-N 3Å; V866-L868 PolarHBondContact O-N 3.02Å; V866-L868 VanDerWaalsContact O-N 3.07Å; V866-I871 HydrophobicContact CB-CD1 4.46Å; V866-I871 HydrophobicContact CG1-CD1 4.14Å | ||
| 867 | D | 45.8 | Very low | 44.6 | Very low | 105 Ų | 105 | 103.8 Ų | 103.8 | 56% | 0.561 | 54% | 0.539 | S | S | * | . | trans | -51.8 | 108 | -172.4 | -139.3 | -21.7 | 0 | 0 | 0 | 112.5 | N869 V870 | D867-N869 PolarHBondContact O-N 3.49Å; D867-N869 VanDerWaalsContact O-N 3.12Å; D867-V870 HydrophobicContact CB-CG2 4.46Å; D867-V870 PolarHBondContact O-N 3.02Å | ||
| 868 | L | 41.3 | Very low | 45.7 | Very low | 112 Ų | 112 | 106.9 Ų | 106.9 | 59% | 0.586 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -57.2 | -29.9 | -172.7 | -89.9 | 110.1 | 0 | 0 | 0 | 112.8 | V866 M872 | V866-L868 PolarHBondContact O-N 3.02Å; V866-L868 VanDerWaalsContact O-N 3.07Å; L868-M872 VanDerWaalsContact O-CB 3.3Å; L868-M872 WeakPolarHBondContact O-CB 3.17Å; L868-M872 WeakPolarHBondContact O-CG 3.16Å; L868-M872 PolarHBondContact O-N 3.12Å |
| 869 | N | 46.5 | Very low | 47 | Very low | 111 Ų | 111 | 106.3 Ų | 106.3 | 59% | 0.594 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -69.4 | -36.2 | -176.1 | -69.2 | -23 | 0 | 0 | 0 | 113.1 | D867 M872 E873 | D867-N869 PolarHBondContact O-N 3.49Å; D867-N869 VanDerWaalsContact O-N 3.12Å; N869-M872 PolarHBondContact O-N 3.03Å; N869-E873 PolarHBondContact O-N 3.18Å |
| 870 | V | 48.2 | Very low | 48.7 | Very low | 88 Ų | 88 | 102.9 Ų | 102.9 | 53% | 0.533 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -73.7 | -37.2 | -177.1 | 179.9 | 0 | 0 | 0 | 0 | 111.3 | D867 K874 | D867-V870 HydrophobicContact CB-CG2 4.46Å; D867-V870 PolarHBondContact O-N 3.02Å; V870-K874 PolarHBondContact O-N 3.32Å; V870-K874 VanDerWaalsContact O-N 3.16Å |
| 871 | I | 42.6 | Very low | 50.5 | Low | 55 Ų | 55 | 99.7 Ų | 99.7 | 28% | 0.282 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -69.9 | -40.9 | 173.3 | -61.8 | 174.5 | 0 | 0 | 0 | 109.4 | V866 E873 K874 D875 | V866-I871 HydrophobicContact CB-CD1 4.46Å; V866-I871 HydrophobicContact CG1-CD1 4.14Å; I871-E873 VanDerWaalsContact C-N 3.35Å; I871-E873 PolarHBondContact O-N 2.67Å; I871-K874 PolarHBondContact O-N 2.97Å; I871-D875 HydrophobicContact CG2-CB 4.41Å; I871-D875 WeakPolarHBondContact CG2-OD2 3.39Å; I871-D875 WeakPolarHBondContact O-CA 3.18Å; I871-D875 VanDerWaalsContact O-CB 3.24Å; I871-D875 WeakPolarHBondContact O-CB 3.43Å; I871-D875 PolarHBondContact O-N 3.03Å |
| 872 | M | 42.1 | Very low | 52.3 | Low | 52 Ų | 52 | 99 Ų | 99 | 26% | 0.256 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.7 | -30 | 178.2 | -75.9 | 179.5 | 61 | 0 | 0 | 114 | L868 N869 K876 | L868-M872 VanDerWaalsContact O-CB 3.3Å; L868-M872 WeakPolarHBondContact O-CB 3.17Å; L868-M872 WeakPolarHBondContact O-CG 3.16Å; L868-M872 PolarHBondContact O-N 3.12Å; N869-M872 PolarHBondContact O-N 3.03Å; M872-K876 WeakPolarHBondContact O-CA 3.29Å; M872-K876 VanDerWaalsContact O-CB 3.22Å; M872-K876 WeakPolarHBondContact O-CB 3.47Å; M872-K876 WeakPolarHBondContact O-CG 3.34Å; M872-K876 PolarHBondContact O-N 3.35Å; M872-K876 VanDerWaalsContact O-N 3.15Å |
| 873 | E | 49.2 | Very low | 54 | Low | 145 Ų | 145 | 92.4 Ų | 92.4 | 68% | 0.678 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -79 | -38.7 | 173.5 | -76.3 | -133.1 | 132.7 | 0 | 0 | 113.3 | N869 I871 K876 | N869-E873 PolarHBondContact O-N 3.18Å; I871-E873 VanDerWaalsContact C-N 3.35Å; I871-E873 PolarHBondContact O-N 2.67Å; E873-K876 IonicContact OE1-NZ 2.75Å |
| 874 | K | 46.8 | Very low | 55.8 | Low | 177 Ų | 177 | 82.1 Ų | 82.1 | 77% | 0.77 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -73.6 | -39.3 | 177.2 | -84.9 | -170.2 | 167 | -166 | 0 | 113.5 | V870 I871 | V870-K874 PolarHBondContact O-N 3.32Å; V870-K874 VanDerWaalsContact O-N 3.16Å; I871-K874 PolarHBondContact O-N 2.97Å |
| 875 | D | 43.8 | Very low | 57.8 | Low | 94 Ų | 94 | 75.2 Ų | 75.2 | 50% | 0.503 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | 22.9 | -179.1 | -58.8 | -12.1 | 0 | 0 | 0 | 111.1 | I871 I877 | I871-D875 HydrophobicContact CG2-CB 4.41Å; I871-D875 WeakPolarHBondContact CG2-OD2 3.39Å; I871-D875 WeakPolarHBondContact O-CA 3.18Å; I871-D875 VanDerWaalsContact O-CB 3.24Å; I871-D875 WeakPolarHBondContact O-CB 3.43Å; I871-D875 PolarHBondContact O-N 3.03Å; D875-I877 PolarHBondContact O-N 3.39Å |
| 876 | K | 45.6 | Very low | 59.7 | Low | 137 Ų | 137 | 76.5 Ų | 76.5 | 60% | 0.596 | 39% | 0.388 | S | S | * | . | trans | -63 | 88.4 | 165.6 | -119.6 | 169.1 | -163.5 | 175.9 | 0 | 105.8 | M872 E873 K878 | M872-K876 WeakPolarHBondContact O-CA 3.29Å; M872-K876 VanDerWaalsContact O-CB 3.22Å; M872-K876 WeakPolarHBondContact O-CB 3.47Å; M872-K876 WeakPolarHBondContact O-CG 3.34Å; M872-K876 PolarHBondContact O-N 3.35Å; M872-K876 VanDerWaalsContact O-N 3.15Å; E873-K876 IonicContact OE1-NZ 2.75Å; K876-K878 VanDerWaalsContact C-N 3.28Å; K876-K878 PolarHBondContact O-N 2.73Å | ||
| 877 | I | 49.2 | Very low | 61.7 | Low | 47 Ų | 47 | 80.6 Ų | 80.6 | 24% | 0.241 | 40% | 0.401 | C | S | . | . | trans | -58.7 | 100.6 | 173 | -57.5 | 169.1 | 0 | 0 | 0 | 104.7 | Y393 I395 V852 D875 T879 | Y393-I877 HydrophobicContact CD1-CD1 4.25Å; I395-I877 HydrophobicContact CD1-CB 4.24Å; I395-I877 HydrophobicContact CD1-CG2 3.79Å; I395-I877 HydrophobicContact CG1-CB 4.27Å; I395-I877 HydrophobicContact CG1-CG2 4.28Å; V852-I877 HydrophobicContact CG1-CD1 4Å; V852-I877 HydrophobicContact CG1-CG1 4.49Å; D875-I877 PolarHBondContact O-N 3.39Å; I877-T879 PolarHBondContact O-N 3.3Å | ||
| 878 | K | 63.1 | Low | 63.5 | Low | 159 Ų | 159 | 78.1 Ų | 78.1 | 69% | 0.691 | 38% | 0.384 | S | S | * | . | trans | -58.8 | 127.8 | 173.3 | -76.4 | -174.8 | 178.1 | -178.9 | 0 | 105.7 | K876 Y1187 | K876-K878 VanDerWaalsContact C-N 3.28Å; K876-K878 PolarHBondContact O-N 2.73Å; K878-Y1187 HydrophobicContact CB-CD1 4.49Å; K878-Y1187 HydrophobicContact CB-CD2 3.97Å; K878-Y1187 HydrophobicContact CB-CG 3.95Å; K878-Y1187 VanDerWaalsContact O-CB 3.25Å; K878-Y1187 WeakPolarHBondContact O-CB 3.3Å; K878-Y1187 VanDerWaalsContact O-CD2 3.31Å; K878-Y1187 WeakPolarHBondContact O-CD2 3.22Å | ||
| 879 | T | 67.5 | Low | 65.4 | Low | 26 Ų | 26 | 78.6 Ų | 78.6 | 16% | 0.16 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 136.1 | 167.2 | 32.9 | 0 | 0 | 0 | 0 | 106.9 | I395 I877 F1188 | I395-T879 HydrophobicContact CB-CG2 4.21Å; I395-T879 HydrophobicContact CD1-CG2 3.23Å; I395-T879 HydrophobicContact CG1-CG2 3.44Å; I395-T879 VanDerWaalsContact CG1-CG2 3.44Å; I395-T879 HydrophobicContact CG2-CG2 3.78Å; I395-T879 WeakPolarHBondContact CG2-OG1 3.46Å; I877-T879 PolarHBondContact O-N 3.3Å; T879-F1188 WeakPolarHBondContact CA-O 3.38Å; T879-F1188 HydrophobicContact CG2-CB 4.01Å; T879-F1188 HydrophobicContact CG2-CD1 4.09Å |
| 880 | D | 78.1 | Confident | 67 | Low | 32 Ų | 32 | 81.5 Ų | 81.5 | 17% | 0.171 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 102.8 | 174.4 | -178.1 | -1.2 | 0 | 0 | 0 | 107.3 | W409 S882 Y1187 F1188 V1189 V1190 | W409-D880 HydrophobicContact CZ3-CB 4.49Å; W409-D880 WeakPolarHBondContact CZ3-OD1 3.47Å; D880-S882 WeakPolarHBondContact OD1-CB 3.44Å; D880-S882 PolarHBondContact OD1-N 3.11Å; D880-S882 PolarHBondContact OD1-OG 3.41Å; D880-Y1187 HydrophobicContact CB-CE2 4.07Å; D880-F1188 PolarHBondContact N-O 2.86Å; D880-V1189 HydrophobicContact CB-CB 4.47Å; D880-V1189 HydrophobicContact CB-CG2 4.03Å; D880-V1190 PolarHBondContact O-N 3.39Å |
| 881 | L | 82.4 | Confident | 68.5 | Low | 1 Ų | 1 | 81.2 Ų | 81.2 | 1% | 0.005 | 39% | 0.387 | C | S | . | . | trans | -110.1 | 8.9 | 175.4 | -56.5 | -177.5 | 0 | 0 | 0 | 111 | F397 Q402 S883 L884 F885 F1188 V1190 A1235 | F397-L881 HydrophobicContact CD1-CD1 3.49Å; F397-L881 VanDerWaalsContact CD1-CD1 3.49Å; F397-L881 HydrophobicContact CE1-CD1 3.34Å; F397-L881 HydrophobicContact CE1-CD2 4.15Å; F397-L881 HydrophobicContact CE1-CG 4.32Å; F397-L881 HydrophobicContact CZ-CD1 4.42Å; Q402-L881 HydrophobicContact CG-CD1 4.12Å; L881-S883 PolarHBondContact O-N 3.12Å; L881-L884 HydrophobicContact CB-CD1 4.23Å; L881-L884 HydrophobicContact CD2-CD1 4.22Å; L881-L884 WeakPolarHBondContact O-CB 3.46Å; L881-L884 PolarHBondContact O-N 3.34Å; L881-F885 HydrophobicContact CB-CE2 4.01Å; L881-F885 VanDerWaalsContact O-CD2 3.25Å; L881-F885 WeakPolarHBondContact O-CD2 3.38Å; L881-F885 WeakPolarHBondContact O-CE2 3.31Å; L881-F1188 HydrophobicContact CD2-CD1 4.22Å; L881-F1188 HydrophobicContact CD2-CE1 3.89Å; L881-V1190 HydrophobicContact CD2-CB 4.29Å; L881-V1190 HydrophobicContact CD2-CG2 3.56Å; L881-A1235 HydrophobicContact CD2-CB 4.08Å | ||
| 882 | S | 81.6 | Confident | 70.5 | Confident | 26 Ų | 26 | 81.1 Ų | 81.1 | 18% | 0.182 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -55.5 | -41 | -172.4 | 58.5 | 0 | 0 | 0 | 0 | 111.8 | D880 L884 F885 L886 | D880-S882 WeakPolarHBondContact OD1-CB 3.44Å; D880-S882 PolarHBondContact OD1-N 3.11Å; D880-S882 PolarHBondContact OD1-OG 3.41Å; S882-L884 PolarHBondContact O-N 2.63Å; S882-L884 VanDerWaalsContact O-N 3.11Å; S882-F885 PolarHBondContact O-N 2.88Å; S882-L886 PolarHBondContact O-N 3.22Å |
| 883 | S | 83.8 | Confident | 72.6 | Confident | 19 Ų | 19 | 80.8 Ų | 80.8 | 13% | 0.133 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -54.4 | -30.7 | 176.6 | -45.3 | 0 | 0 | 0 | 0 | 114.1 | L881 F885 R1177 F1179 V1190 | L881-S883 PolarHBondContact O-N 3.12Å; S883-F885 PolarHBondContact O-N 3.12Å; S883-R1177 PolarHBondContact O-NH2 3.2Å; S883-F1179 WeakPolarHBondContact O-CE1 3.26Å; S883-V1190 VanDerWaalsContact CB-O 3.28Å; S883-V1190 WeakPolarHBondContact CB-O 3.11Å; S883-V1190 PolarHBondContact OG-O 3.04Å |
| 884 | L | 86.3 | Confident | 74.3 | Confident | 0 Ų | 0 | 76.9 Ų | 76.9 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -68.7 | -24.4 | 179.4 | -69.5 | 176.3 | 0 | 0 | 0 | 112.8 | L881 S882 F1179 V1190 F1209 A1235 Y1239 | L881-L884 HydrophobicContact CB-CD1 4.23Å; L881-L884 HydrophobicContact CD2-CD1 4.22Å; L881-L884 WeakPolarHBondContact O-CB 3.46Å; L881-L884 PolarHBondContact O-N 3.34Å; S882-L884 PolarHBondContact O-N 2.63Å; S882-L884 VanDerWaalsContact O-N 3.11Å; L884-F1179 HydrophobicContact CD2-CD1 3.89Å; L884-F1179 HydrophobicContact CD2-CD2 4.22Å; L884-F1179 HydrophobicContact CD2-CE1 3.93Å; L884-F1179 HydrophobicContact CD2-CE2 4.24Å; L884-F1179 HydrophobicContact CD2-CG 4.03Å; L884-F1179 HydrophobicContact CD2-CZ 4.07Å; L884-V1190 HydrophobicContact CD1-CB 4.5Å; L884-V1190 HydrophobicContact CD1-CG1 4.3Å; L884-V1190 HydrophobicContact CD1-CG2 4.4Å; L884-V1190 HydrophobicContact CD2-CG1 3.73Å; L884-V1190 HydrophobicContact CG-CB 4.3Å; L884-V1190 HydrophobicContact CG-CG1 3.8Å; L884-F1209 HydrophobicContact CD2-CD2 4.33Å; L884-F1209 HydrophobicContact CD2-CE2 4.44Å; L884-A1235 HydrophobicContact CD1-CB 4.07Å; L884-Y1239 HydrophobicContact CB-CD2 4.04Å; L884-Y1239 HydrophobicContact CD2-CD2 3.84Å; L884-Y1239 HydrophobicContact CD2-CE2 4.49Å; L884-Y1239 HydrophobicContact CD2-CG 4.2Å; L884-Y1239 HydrophobicContact CG-CD2 4.49Å; L884-Y1239 WeakPolarHBondContact O-CD2 3.34Å; L884-Y1239 WeakPolarHBondContact O-CE2 3.19Å |
| 885 | F | 86.4 | Confident | 76.3 | Confident | 26 Ų | 26 | 76.3 Ų | 76.3 | 11% | 0.114 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -106.2 | -6 | -175.2 | -52.4 | -75 | 0 | 0 | 0 | 113.1 | L399 Q402 L403 L881 S882 S883 V1238 H1242 | L399-F885 HydrophobicContact CD1-CE1 3.82Å; Q402-F885 HydrophobicContact CB-CE1 4.48Å; Q402-F885 HydrophobicContact CB-CE2 3.61Å; Q402-F885 HydrophobicContact CB-CZ 3.52Å; Q402-F885 HydrophobicContact CG-CE2 4.46Å; Q402-F885 HydrophobicContact CG-CZ 4.35Å; L403-F885 HydrophobicContact CD2-CD1 3.92Å; L403-F885 HydrophobicContact CD2-CE1 4.49Å; L403-F885 HydrophobicContact CD2-CG 4.38Å; L881-F885 HydrophobicContact CB-CE2 4.01Å; L881-F885 VanDerWaalsContact O-CD2 3.25Å; L881-F885 WeakPolarHBondContact O-CD2 3.38Å; L881-F885 WeakPolarHBondContact O-CE2 3.31Å; S882-F885 PolarHBondContact O-N 2.88Å; S883-F885 PolarHBondContact O-N 3.12Å; F885-V1238 HydrophobicContact CE1-CG1 4.2Å; F885-V1238 HydrophobicContact CZ-CG1 3.83Å; F885-H1242 HydrophobicContact CD1-CB 4.41Å; F885-H1242 AromaticContact CD1-CD2 3.64Å; F885-H1242 AromaticContact CD1-CG 3.85Å; F885-H1242 AromaticContact CD1-NE2 3.88Å; F885-H1242 HydrophobicContact CE1-CB 4.14Å |
| 886 | L | 84.7 | Confident | 78.4 | Confident | 105 Ų | 105 | 77.3 Ų | 77.3 | 55% | 0.55 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -66.8 | 144.7 | 170.1 | -68.7 | 174.1 | 0 | 0 | 0 | 110 | S882 R1177 | S882-L886 PolarHBondContact O-N 3.22Å; L886-R1177 PolarHBondContact O-NH1 3.32Å; L886-R1177 PolarHBondContact O-NH2 2.85Å |
| 887 | E | 80.4 | Confident | 80.5 | Confident | 176 Ų | 176 | 70.8 Ų | 70.8 | 82% | 0.822 | 35% | 0.349 | S | S | * | . | P | Polyproline II helix | trans | -63.3 | 145.2 | 173.4 | -67.2 | -169.3 | 169.1 | 0 | 0 | 110.5 | Q889 | E887-Q889 PolarHBondContact O-N 3.15Š|
| 888 | R | 84 | Confident | 82.5 | Confident | 52 Ų | 52 | 72.2 Ų | 72.2 | 20% | 0.196 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 133.2 | 174.5 | -174.6 | -174.3 | 175 | -84.2 | 8.3 | 108.6 | Q890 M1173 C1176 R1177 | R888-Q890 PolarHBondContact O-N 2.99Å; R888-M1173 PolarHBondContact NH2-O 3.42Å; R888-C1176 PolarHBondContact NE-O 2.94Å; R888-R1177 HydrophobicContact CG-CG 4.07Å |
| 889 | Q | 80.6 | Confident | 83.8 | Confident | 122 Ų | 122 | 69 Ų | 69 | 57% | 0.57 | 35% | 0.345 | S | S | * | . | P | Polyproline II helix | trans | -50.5 | 134.5 | 169.5 | -78.8 | 176 | -21.1 | 0 | 0 | 110.4 | E887 I1195 | E887-Q889 PolarHBondContact O-N 3.15Å; Q889-I1195 HydrophobicContact CB-CD1 3.5Å; Q889-I1195 HydrophobicContact CB-CG1 4.18Å; Q889-I1195 VanDerWaalsContact O-CD1 3.31Å; Q889-I1195 WeakPolarHBondContact O-CD1 3.14Å |
| 890 | Q | 80.2 | Confident | 84.8 | Confident | 172 Ų | 172 | 70.3 Ų | 70.3 | 80% | 0.804 | 35% | 0.35 | S | S | * | . | P | Polyproline II helix | trans | -73.2 | 149.9 | 178.5 | -67.1 | -175.2 | -13.4 | 0 | 0 | 110 | R888 | R888-Q890 PolarHBondContact O-N 2.99Š|
| 891 | M | 79.5 | Confident | 85.4 | Confident | 82 Ų | 82 | 69.5 Ų | 69.5 | 40% | 0.404 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -72.4 | 136.8 | 173.5 | -66.1 | 178.5 | 173 | 0 | 0 | 108.7 | G1072 M1173 R1174 | M891-G1072 WeakPolarHBondContact CA-O 3.29Å; M891-M1173 WeakPolarHBondContact CE-O 2.93Å; M891-R1174 HydrophobicContact CE-CG 4.44Å |
| 892 | V | 84.7 | Confident | 85.8 | Confident | 54 Ų | 54 | 75.3 Ų | 75.3 | 33% | 0.327 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -74 | 134.5 | 175.5 | -176.9 | 0 | 0 | 0 | 0 | 107.7 | E896 A897 G1072 | V892-E896 HydrophobicContact CG1-CB 3.55Å; V892-A897 HydrophobicContact CG1-CB 4.26Å; V892-G1072 PolarHBondContact N-O 3Å |
| 893 | S | 86.6 | Confident | 86.1 | Confident | 45 Ų | 45 | 78.8 Ų | 78.8 | 32% | 0.315 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -65 | 157.8 | 176.1 | 63.3 | 0 | 0 | 0 | 0 | 111.4 | E895 E896 A897 | S893-E895 PolarHBondContact O-N 3.11Å; S893-E896 PolarHBondContact N-OE2 2.99Å; S893-E896 PolarHBondContact O-N 3.27Å; S893-E896 WeakPolarHBondContact OG-CB 3.3Å; S893-E896 WeakPolarHBondContact OG-CG 3.49Å; S893-E896 PolarHBondContact OG-N 2.64Å; S893-E896 PolarHBondContact OG-OE2 2.89Å; S893-A897 WeakPolarHBondContact O-CB 3.4Å; S893-A897 PolarHBondContact O-N 3.17Å |
| 894 | D | 85.5 | Confident | 86.2 | Confident | 63 Ų | 63 | 79.2 Ų | 79.2 | 34% | 0.337 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.7 | -36 | 178.7 | -74.5 | -24.3 | 0 | 0 | 0 | 111.5 | A897 D898 | D894-A897 PolarHBondContact O-N 3.18Å; D894-D898 PolarHBondContact O-N 3.26Å |
| 895 | E | 87.9 | Confident | 86.4 | Confident | 164 Ų | 164 | 80.9 Ų | 80.9 | 77% | 0.766 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -67.1 | -47.8 | 178.3 | -67.5 | 151.3 | -169.8 | 0 | 0 | 112 | S893 A897 D898 Q899 | S893-E895 PolarHBondContact O-N 3.11Å; E895-A897 VanDerWaalsContact C-N 3.28Å; E895-A897 PolarHBondContact O-N 2.82Å; E895-D898 PolarHBondContact O-N 3.39Å; E895-Q899 WeakPolarHBondContact O-CB 3.42Å; E895-Q899 PolarHBondContact O-N 3.28Å |
| 896 | E | 89.2 | Confident | 86.5 | Confident | 116 Ų | 116 | 86.8 Ų | 86.8 | 54% | 0.542 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -64.8 | -34.1 | 174.3 | -72 | 165.2 | 151.6 | 0 | 0 | 111.8 | V892 S893 Q899 M900 | V892-E896 HydrophobicContact CG1-CB 3.55Å; S893-E896 PolarHBondContact N-OE2 2.99Å; S893-E896 PolarHBondContact O-N 3.27Å; S893-E896 WeakPolarHBondContact OG-CB 3.3Å; S893-E896 WeakPolarHBondContact OG-CG 3.49Å; S893-E896 PolarHBondContact OG-N 2.64Å; S893-E896 PolarHBondContact OG-OE2 2.89Å; E896-Q899 PolarHBondContact O-N 2.89Å; E896-M900 WeakPolarHBondContact O-CB 3.47Å; E896-M900 PolarHBondContact O-N 3.35Å |
| 897 | A | 89.4 | Confident | 86.6 | Confident | 0 Ų | 0 | 84.7 Ų | 84.7 | 0% | 0 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -67.1 | -40 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | V892 S893 D894 E895 M900 I901 A1074 V1075 | V892-A897 HydrophobicContact CG1-CB 4.26Å; S893-A897 WeakPolarHBondContact O-CB 3.4Å; S893-A897 PolarHBondContact O-N 3.17Å; D894-A897 PolarHBondContact O-N 3.18Å; E895-A897 VanDerWaalsContact C-N 3.28Å; E895-A897 PolarHBondContact O-N 2.82Å; A897-M900 PolarHBondContact O-N 3.19Å; A897-I901 VanDerWaalsContact O-CG1 3.28Å; A897-I901 WeakPolarHBondContact O-CG1 3.46Å; A897-I901 PolarHBondContact O-N 2.91Å; A897-A1074 HydrophobicContact CB-CB 3.84Å; A897-V1075 HydrophobicContact CB-CG2 3.88Å; A897-V1075 WeakPolarHBondContact O-CG2 3.28Å |
| 898 | D | 91.2 | Very high | 87.1 | Confident | 77 Ų | 77 | 78 Ų | 78 | 41% | 0.412 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -66.9 | -40.3 | 174 | -78.2 | -39.6 | 0 | 0 | 0 | 112 | D894 E895 I901 Q902 K1042 | D894-D898 PolarHBondContact O-N 3.26Å; E895-D898 PolarHBondContact O-N 3.39Å; D898-I901 PolarHBondContact O-N 3.49Å; D898-Q902 PolarHBondContact O-N 3.24Å; D898-K1042 WeakPolarHBondContact OD1-CE 3.45Å; D898-K1042 IonicContact OD1-NZ 3.98Å; D898-K1042 PolarHBondContact OD1-NZ 3.36Å; D898-K1042 IonicContact OD2-NZ 2.69Å; D898-K1042 PolarHBondContact OD2-NZ 2.78Å |
| 899 | Q | 89.9 | Confident | 87.3 | Confident | 91 Ų | 91 | 79.9 Ų | 79.9 | 43% | 0.425 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -60.8 | -45.8 | 172.5 | -176.1 | 61 | 34.2 | 0 | 0 | 111.5 | E895 E896 I901 Q902 E903 | E895-Q899 WeakPolarHBondContact O-CB 3.42Å; E895-Q899 PolarHBondContact O-N 3.28Å; E896-Q899 PolarHBondContact O-N 2.89Å; Q899-I901 VanDerWaalsContact C-N 3.3Å; Q899-I901 PolarHBondContact O-N 2.73Å; Q899-Q902 WeakPolarHBondContact O-CB 3.3Å; Q899-Q902 PolarHBondContact O-N 3.16Å; Q899-Q902 VanDerWaalsContact O-N 3.1Å; Q899-E903 WeakPolarHBondContact CG-OE1 3.28Å; Q899-E903 PolarHBondContact NE2-OE1 3.21Å; Q899-E903 WeakPolarHBondContact O-CG 3.27Å; Q899-E903 PolarHBondContact O-N 3.07Å |
| 900 | M | 88.3 | Confident | 87.8 | Confident | 54 Ų | 54 | 78.1 Ų | 78.1 | 27% | 0.266 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63.3 | -36.1 | 176.6 | -172.1 | 175 | 71.7 | 0 | 0 | 112 | E896 A897 C904 Q1034 V1075 | E896-M900 WeakPolarHBondContact O-CB 3.47Å; E896-M900 PolarHBondContact O-N 3.35Å; A897-M900 PolarHBondContact O-N 3.19Å; M900-C904 VanDerWaalsContact O-CB 3.3Å; M900-C904 WeakPolarHBondContact O-CB 3.27Å; M900-C904 PolarHBondContact O-N 3.1Å; M900-C904 PolarHBondContact O-SG 3.36Å; M900-Q1034 HydrophobicContact CE-CB 4.1Å; M900-Q1034 HydrophobicContact CE-CG 4.31Å; M900-V1075 HydrophobicContact CE-CB 3.68Å; M900-V1075 HydrophobicContact CE-CG1 3.94Å; M900-V1075 HydrophobicContact CE-CG2 3.27Å |
| 901 | I | 91.4 | Very high | 88.4 | Confident | 14 Ų | 14 | 71.5 Ų | 71.5 | 7% | 0.072 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.9 | -44.3 | 172.8 | -72.7 | 164.1 | 0 | 0 | 0 | 110.3 | A897 D898 Q899 N905 K1041 K1042 V1075 | A897-I901 VanDerWaalsContact O-CG1 3.28Å; A897-I901 WeakPolarHBondContact O-CG1 3.46Å; A897-I901 PolarHBondContact O-N 2.91Å; D898-I901 PolarHBondContact O-N 3.49Å; Q899-I901 VanDerWaalsContact C-N 3.3Å; Q899-I901 PolarHBondContact O-N 2.73Å; I901-N905 WeakPolarHBondContact O-CB 3.22Å; I901-N905 PolarHBondContact O-N 2.86Å; I901-N905 PolarHBondContact O-ND2 2.89Å; I901-K1041 HydrophobicContact CG2-CG 4.22Å; I901-K1042 HydrophobicContact CD1-CD 4.34Å; I901-K1042 HydrophobicContact CD1-CG 3.84Å; I901-V1075 HydrophobicContact CD1-CG2 3.86Å; I901-V1075 HydrophobicContact CG1-CB 4.41Å; I901-V1075 HydrophobicContact CG1-CG1 4.24Å; I901-V1075 HydrophobicContact CG1-CG2 3.61Å |
| 902 | Q | 89.8 | Confident | 89 | Confident | 124 Ų | 124 | 70.2 Ų | 70.2 | 58% | 0.579 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -62.7 | -51.2 | 179.1 | -174.7 | 171.8 | -5.2 | 0 | 0 | 111.2 | D898 Q899 C904 N905 E906 | D898-Q902 PolarHBondContact O-N 3.24Å; Q899-Q902 WeakPolarHBondContact O-CB 3.3Å; Q899-Q902 PolarHBondContact O-N 3.16Å; Q899-Q902 VanDerWaalsContact O-N 3.1Å; Q902-C904 PolarHBondContact O-N 2.91Å; Q902-N905 CarbonylContact O-C 3.43Å; Q902-N905 PolarHBondContact O-N 3.23Å; Q902-N905 VanDerWaalsContact O-N 3.13Å; Q902-E906 PolarHBondContact O-N 2.89Å |
| 903 | E | 88.5 | Confident | 89.5 | Confident | 98 Ų | 98 | 67.7 Ų | 67.7 | 46% | 0.458 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -58.9 | -45.7 | 178.7 | -71.3 | 170.4 | -172.7 | 0 | 0 | 112.1 | Q899 N905 E906 | Q899-E903 WeakPolarHBondContact CG-OE1 3.28Å; Q899-E903 PolarHBondContact NE2-OE1 3.21Å; Q899-E903 WeakPolarHBondContact O-CG 3.27Å; Q899-E903 PolarHBondContact O-N 3.07Å; E903-N905 PolarHBondContact O-N 2.77Å; E903-E906 PolarHBondContact O-N 2.95Å |
| 904 | C | 86.9 | Confident | 89.8 | Confident | 28 Ų | 28 | 67 Ų | 67 | 19% | 0.189 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65.8 | -23.3 | 179.4 | -71.9 | 0 | 0 | 0 | 0 | 113.8 | M900 Q902 S1038 | M900-C904 VanDerWaalsContact O-CB 3.3Å; M900-C904 WeakPolarHBondContact O-CB 3.27Å; M900-C904 PolarHBondContact O-N 3.1Å; M900-C904 PolarHBondContact O-SG 3.36Å; Q902-C904 PolarHBondContact O-N 2.91Å; C904-S1038 WeakPolarHBondContact CB-OG 3.31Å |
| 905 | N | 89.8 | Confident | 90.2 | Very high | 35 Ų | 35 | 64.1 Ų | 64.1 | 19% | 0.187 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -99.9 | -12.6 | 178.7 | -74.5 | -78.1 | 0 | 0 | 0 | 113.3 | I901 Q902 E903 D907 L908 S1038 H1039 | I901-N905 WeakPolarHBondContact O-CB 3.22Å; I901-N905 PolarHBondContact O-N 2.86Å; I901-N905 PolarHBondContact O-ND2 2.89Å; Q902-N905 CarbonylContact O-C 3.43Å; Q902-N905 PolarHBondContact O-N 3.23Å; Q902-N905 VanDerWaalsContact O-N 3.13Å; E903-N905 PolarHBondContact O-N 2.77Å; N905-D907 VanDerWaalsContact C-N 3.31Å; N905-D907 PolarHBondContact O-N 3.44Å; N905-L908 PolarHBondContact O-N 3.37Å; N905-L908 VanDerWaalsContact O-N 3.16Å; N905-S1038 PolarHBondContact ND2-O 2.93Å; N905-H1039 WeakPolarHBondContact OD1-CA 3.09Å; N905-H1039 PolarHBondContact OD1-ND1 2.83Å |
| 906 | E | 88.1 | Confident | 90.4 | Very high | 150 Ų | 150 | 58.1 Ų | 58.1 | 70% | 0.701 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -60.5 | -43.8 | 178.1 | -174.2 | 169.9 | -172.6 | 0 | 0 | 110.8 | Q902 E903 L908 | Q902-E906 PolarHBondContact O-N 2.89Å; E903-E906 PolarHBondContact O-N 2.95Å; E906-L908 VanDerWaalsContact C-N 3.31Å; E906-L908 PolarHBondContact O-N 3.32Å |
| 907 | D | 86.4 | Confident | 90.2 | Very high | 61 Ų | 61 | 56.7 Ų | 56.7 | 33% | 0.326 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -8.8 | 177.7 | -58.1 | -34.3 | 0 | 0 | 0 | 113.4 | N905 E909 Y944 W945 | N905-D907 VanDerWaalsContact C-N 3.31Å; N905-D907 PolarHBondContact O-N 3.44Å; D907-E909 PolarHBondContact O-N 2.8Å; D907-Y944 HydrophobicContact CB-CD1 4.3Å; D907-Y944 CarbonylContact O-C 3.56Å; D907-Y944 WeakPolarHBondContact O-CA 3.46Å; D907-W945 PolarHBondContact O-N 2.75Å |
| 908 | L | 90.3 | Very high | 89.7 | Confident | 36 Ų | 36 | 60.3 Ų | 60.3 | 19% | 0.188 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 104.2 | -173.3 | -178.7 | 72.6 | 0 | 0 | 0 | 111.4 | N905 E906 L910 M911 C942 Y944 | N905-L908 PolarHBondContact O-N 3.37Å; N905-L908 VanDerWaalsContact O-N 3.16Å; E906-L908 VanDerWaalsContact C-N 3.31Å; E906-L908 PolarHBondContact O-N 3.32Å; L908-L910 WeakPolarHBondContact CD1-O 3.41Å; L908-M911 HydrophobicContact CD2-CB 4.3Å; L908-C942 HydrophobicContact CD1-CB 3.8Å; L908-Y944 HydrophobicContact CB-CD1 4.14Å; L908-Y944 HydrophobicContact CB-CE1 4.02Å; L908-Y944 HydrophobicContact CD1-CD1 3.99Å; L908-Y944 HydrophobicContact CD1-CE1 3.53Å; L908-Y944 HydrophobicContact CG-CE1 4.35Å |
| 909 | E | 88.4 | Confident | 89.2 | Confident | 91 Ų | 91 | 67 Ų | 67 | 43% | 0.425 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | -40.1 | 178.1 | -63.4 | -177.9 | 155.5 | 0 | 0 | 113.1 | D907 R943 W945 | D907-E909 PolarHBondContact O-N 2.8Å; E909-R943 PolarHBondContact N-O 2.83Å; E909-R943 VanDerWaalsContact OE2-CD 3.31Å; E909-R943 WeakPolarHBondContact OE2-CD 3.08Å; E909-R943 WeakPolarHBondContact OE2-CG 3.14Å; E909-R943 IonicContact OE2-CZ 2.98Å; E909-R943 IonicContact OE2-NE 3.02Å; E909-R943 PolarHBondContact OE2-NE 2.93Å; E909-R943 IonicContact OE2-NH2 3.52Å; E909-W945 HydrophobicContact CG-CB 3.96Å |
| 910 | L | 91 | Very high | 89 | Confident | 85 Ų | 85 | 70.2 Ų | 70.2 | 45% | 0.445 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 141 | -173.6 | -174.9 | 74.9 | 0 | 0 | 0 | 111 | L908 E912 C942 R943 | L908-L910 WeakPolarHBondContact CD1-O 3.41Å; L910-E912 HydrophobicContact CD1-CG 4.39Å; L910-E912 HydrophobicContact CD2-CG 4Å; L910-E912 HydrophobicContact CG-CG 4.11Å; L910-C942 CarbonylContact O-C 3.51Å; L910-C942 VanDerWaalsContact O-CA 3.26Å; L910-C942 WeakPolarHBondContact O-CA 3.35Å; L910-R943 HydrophobicContact CB-CB 4.07Å; L910-R943 PolarHBondContact N-O 3.38Å; L910-R943 PolarHBondContact O-N 3.07Å |
| 911 | M | 92.6 | Very high | 89.1 | Confident | 34 Ų | 34 | 69.1 Ų | 69.1 | 17% | 0.167 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 111.9 | 168.9 | -179.3 | 176 | 69.5 | 0 | 0 | 110.6 | L908 P913 Y929 F940 L941 H1039 | L908-M911 HydrophobicContact CD2-CB 4.3Å; M911-P913 WeakPolarHBondContact O-CD 3.45Å; M911-Y929 HydrophobicContact CE-CD2 4.18Å; M911-Y929 HydrophobicContact CE-CE2 4.22Å; M911-F940 HydrophobicContact CG-CD1 4.15Å; M911-F940 HydrophobicContact SD-CD1 3.98Å; M911-L941 WeakPolarHBondContact CA-O 3.34Å; M911-H1039 HydrophobicContact SD-CB 3.98Å |
| 912 | E | 92.8 | Very high | 89.1 | Confident | 55 Ų | 55 | 71 Ų | 71 | 26% | 0.257 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 111.2 | 176.9 | -65.2 | -160.3 | 143.5 | 0 | 0 | 111.8 | L910 F914 R923 F940 L941 | L910-E912 HydrophobicContact CD1-CG 4.39Å; L910-E912 HydrophobicContact CD2-CG 4Å; L910-E912 HydrophobicContact CG-CG 4.11Å; E912-F914 HydrophobicContact CB-CE2 3.91Å; E912-F914 HydrophobicContact CB-CZ 4.14Å; E912-F914 WeakPolarHBondContact O-CD2 3.49Å; E912-F914 WeakPolarHBondContact O-CE2 3.49Å; E912-R923 IonicContact OE1-NH1 3.83Å; E912-F940 WeakPolarHBondContact O-CA 3.16Å; E912-L941 HydrophobicContact CB-CB 4.37Å; E912-L941 PolarHBondContact N-O 2.88Å; E912-L941 PolarHBondContact O-N 3.05Å |
| 913 | P | 94.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 141.7 | 178.4 | 31.8 | -29.7 | 0 | 0 | 0 | 113.3 | M911 L924 Y929 V939 F940 | M911-P913 WeakPolarHBondContact O-CD 3.45Å; P913-L924 HydrophobicContact CB-CB 3.96Å; P913-L924 HydrophobicContact CB-CD2 4.24Å; P913-L924 HydrophobicContact CG-CB 4.01Å; P913-L924 PolarHBondContact O-N 2.55Å; P913-Y929 HydrophobicContact CB-CE1 4.5Å; P913-Y929 WeakPolarHBondContact CD-OH 3.46Å; P913-Y929 HydrophobicContact CG-CD1 3.91Å; P913-Y929 HydrophobicContact CG-CE1 3.17Å; P913-Y929 HydrophobicContact CG-CE2 4.06Å; P913-Y929 WeakPolarHBondContact CG-OH 3.39Å; P913-V939 CarbonylContact C-O 3.48Å; P913-V939 WeakPolarHBondContact CA-O 3.33Å; P913-F940 HydrophobicContact CB-CD1 3.66Å; P913-F940 HydrophobicContact CB-CE1 3.56Å; P913-F940 HydrophobicContact CB-CG 4.41Å; P913-F940 HydrophobicContact CB-CZ 4.23Å |
| 914 | F | 94.3 | Very high | 89.4 | Confident | 32 Ų | 32 | 67.5 Ų | 67.5 | 14% | 0.14 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 149.4 | 175.4 | -51.7 | -92.7 | 0 | 0 | 0 | 110.2 | E912 F921 V922 Y938 V939 L941 F1014 | E912-F914 HydrophobicContact CB-CE2 3.91Å; E912-F914 HydrophobicContact CB-CZ 4.14Å; E912-F914 WeakPolarHBondContact O-CD2 3.49Å; E912-F914 WeakPolarHBondContact O-CE2 3.49Å; F914-F921 HydrophobicContact CB-CB 4.09Å; F914-F921 HydrophobicContact CB-CD1 4.27Å; F914-V922 CarbonylContact C-O 3.51Å; F914-V922 WeakPolarHBondContact CA-O 3.41Å; F914-Y938 CarbonylContact O-C 3.41Å; F914-Y938 VanDerWaalsContact O-CA 3.26Å; F914-Y938 WeakPolarHBondContact O-CA 3.2Å; F914-V939 HydrophobicContact CB-CB 4.27Å; F914-V939 HydrophobicContact CD2-CG1 4.43Å; F914-V939 PolarHBondContact N-O 3.19Å; F914-V939 PolarHBondContact O-N 3.17Å; F914-L941 HydrophobicContact CE2-CB 4.35Å; F914-F1014 HydrophobicContact CE2-CZ 4.16Å |
| 915 | V | 94 | Very high | 89.5 | Confident | 2 Ų | 2 | 68.8 Ų | 68.8 | 1% | 0.012 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 144.7 | 174.3 | 63.3 | 0 | 0 | 0 | 0 | 109.8 | E917 F921 V922 L924 Y938 | V915-E917 PolarHBondContact O-N 3.29Å; V915-F921 WeakPolarHBondContact O-CA 3.39Å; V915-V922 HydrophobicContact CG1-CG2 3.79Å; V915-V922 PolarHBondContact N-O 2.87Å; V915-V922 PolarHBondContact O-N 3.08Å; V915-L924 HydrophobicContact CB-CD1 4.14Å; V915-L924 HydrophobicContact CG1-CD1 3.91Å; V915-Y938 HydrophobicContact CB-CD1 3.86Å; V915-Y938 HydrophobicContact CB-CE1 3.84Å; V915-Y938 HydrophobicContact CG2-CD1 3.88Å; V915-Y938 HydrophobicContact CG2-CE1 3.56Å; V915-Y938 HydrophobicContact CG2-CE2 4.31Å; V915-Y938 HydrophobicContact CG2-CG 4.39Å |
| 916 | L | 91.7 | Very high | 89.3 | Confident | 37 Ų | 37 | 73.9 Ų | 73.9 | 19% | 0.194 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 110.5 | 177 | -177 | 65.9 | 0 | 0 | 0 | 110.8 | F921 C937 G1002 T1005 | L916-F921 HydrophobicContact CB-CD1 4.22Å; L916-F921 HydrophobicContact CB-CE1 3.78Å; L916-F921 HydrophobicContact CB-CZ 4.15Å; L916-F921 HydrophobicContact CD1-CD2 4.32Å; L916-F921 HydrophobicContact CD1-CE1 4.34Å; L916-F921 HydrophobicContact CD1-CE2 4.02Å; L916-F921 HydrophobicContact CD1-CZ 4.03Å; L916-C937 HydrophobicContact CB-CB 4.24Å; L916-C937 HydrophobicContact CD2-CB 4.41Å; L916-C937 PolarHBondContact N-O 2.96Å; L916-G1002 VanDerWaalsContact CD2-CA 3.49Å; L916-T1005 HydrophobicContact CD1-CG2 4.16Å |
| 917 | E | 85.6 | Confident | 89.2 | Confident | 87 Ų | 87 | 75.8 Ų | 75.8 | 41% | 0.407 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 127.3 | 177.1 | -172 | 162.9 | -161.7 | 0 | 0 | 109.8 | V915 R919 K920 V922 R1051 N1052 | V915-E917 PolarHBondContact O-N 3.29Å; E917-R919 VanDerWaalsContact C-N 3.25Å; E917-R919 PolarHBondContact O-N 2.97Å; E917-R919 VanDerWaalsContact O-N 3.11Å; E917-K920 PolarHBondContact N-O 3.14Å; E917-K920 PolarHBondContact O-N 2.85Å; E917-V922 HydrophobicContact CB-CG2 3.76Å; E917-R1051 IonicContact OE1-NH1 2.76Å; E917-R1051 IonicContact OE2-NH1 3.07Å; E917-R1051 PolarHBondContact OE2-NH1 3.25Å; E917-N1052 PolarHBondContact OE1-ND2 2.87Å |
| 918 | G | 78.3 | Confident | 89.4 | Confident | 75 Ų | 75 | 74.7 Ų | 74.7 | 77% | 0.773 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | 33.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | K920 | G918-K920 VanDerWaalsContact C-N 3.34Š|
| 919 | R | 80 | Confident | 89.4 | Confident | 218 Ų | 218 | 75.4 Ų | 75.4 | 82% | 0.823 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.7 | 11.4 | -175.2 | -48.2 | 176.6 | 179.1 | -178.1 | -0.6 | 115.7 | E917 | E917-R919 VanDerWaalsContact C-N 3.25Å; E917-R919 PolarHBondContact O-N 2.97Å; E917-R919 VanDerWaalsContact O-N 3.11Å |
| 920 | K | 85.4 | Confident | 89.5 | Confident | 159 Ų | 159 | 71.1 Ų | 71.1 | 69% | 0.691 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 148.8 | 173.6 | -66.1 | -177.1 | -179.5 | 178.6 | 0 | 110.3 | E917 G918 | E917-K920 PolarHBondContact N-O 3.14Å; E917-K920 PolarHBondContact O-N 2.85Å; G918-K920 VanDerWaalsContact C-N 3.34Å |
| 921 | F | 91 | Very high | 89.7 | Confident | 30 Ų | 30 | 67.2 Ų | 67.2 | 13% | 0.132 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 120.4 | 171.4 | -75 | -79.9 | 0 | 0 | 0 | 109.3 | F914 V915 L916 V939 F992 T1005 F1006 L1010 | F914-F921 HydrophobicContact CB-CB 4.09Å; F914-F921 HydrophobicContact CB-CD1 4.27Å; V915-F921 WeakPolarHBondContact O-CA 3.39Å; L916-F921 HydrophobicContact CB-CD1 4.22Å; L916-F921 HydrophobicContact CB-CE1 3.78Å; L916-F921 HydrophobicContact CB-CZ 4.15Å; L916-F921 HydrophobicContact CD1-CD2 4.32Å; L916-F921 HydrophobicContact CD1-CE1 4.34Å; L916-F921 HydrophobicContact CD1-CE2 4.02Å; L916-F921 HydrophobicContact CD1-CZ 4.03Å; F921-V939 HydrophobicContact CD1-CB 4.35Å; F921-V939 HydrophobicContact CD1-CG2 3.82Å; F921-V939 HydrophobicContact CE1-CB 4.4Å; F921-V939 HydrophobicContact CE1-CG2 3.44Å; F921-V939 VanDerWaalsContact CE1-CG2 3.44Å; F921-V939 HydrophobicContact CZ-CG2 3.93Å; F921-F992 HydrophobicContact CZ-CE2 4.03Å; F921-T1005 HydrophobicContact CE2-CG2 4.29Å; F921-F1006 HydrophobicContact CE2-CB 3.7Å; F921-F1006 HydrophobicContact CZ-CB 3.84Å; F921-L1010 HydrophobicContact CB-CD2 3.95Å; F921-L1010 HydrophobicContact CD2-CB 4.36Å; F921-L1010 HydrophobicContact CD2-CD2 4.15Å; F921-L1010 HydrophobicContact CG-CD2 4Å |
| 922 | V | 91.6 | Very high | 89.9 | Confident | 53 Ų | 53 | 65.7 Ų | 65.7 | 32% | 0.321 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 148.3 | 178.1 | -62.4 | 0 | 0 | 0 | 0 | 109.7 | F914 V915 E917 L924 | F914-V922 CarbonylContact C-O 3.51Å; F914-V922 WeakPolarHBondContact CA-O 3.41Å; V915-V922 HydrophobicContact CG1-CG2 3.79Å; V915-V922 PolarHBondContact N-O 2.87Å; V915-V922 PolarHBondContact O-N 3.08Å; E917-V922 HydrophobicContact CB-CG2 3.76Å; V922-L924 PolarHBondContact O-N 3.05Å |
| 923 | R | 92.4 | Very high | 89.9 | Confident | 146 Ų | 146 | 64.3 Ų | 64.3 | 55% | 0.551 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 131.5 | 179.1 | -174.8 | 173 | 176.4 | 144.8 | -3.5 | 110.1 | E912 | E912-R923 IonicContact OE1-NH1 3.83Å |
| 924 | L | 92.5 | Very high | 89.8 | Confident | 3 Ų | 3 | 64.6 Ų | 64.6 | 2% | 0.016 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -76 | 132.7 | 177.9 | -170.6 | 70.9 | 0 | 0 | 0 | 109.7 | P913 V915 V922 E928 Y938 | P913-L924 HydrophobicContact CB-CB 3.96Å; P913-L924 HydrophobicContact CB-CD2 4.24Å; P913-L924 HydrophobicContact CG-CB 4.01Å; P913-L924 PolarHBondContact O-N 2.55Å; V915-L924 HydrophobicContact CB-CD1 4.14Å; V915-L924 HydrophobicContact CG1-CD1 3.91Å; V922-L924 PolarHBondContact O-N 3.05Å; L924-E928 HydrophobicContact CD1-CB 4.08Å; L924-E928 WeakPolarHBondContact CD1-OE2 3.46Å; L924-E928 HydrophobicContact CD2-CB 4.34Å; L924-E928 HydrophobicContact CG-CB 4.03Å; L924-Y938 HydrophobicContact CD1-CE1 4Å; L924-Y938 HydrophobicContact CD2-CD1 4.3Å; L924-Y938 HydrophobicContact CD2-CE1 4.21Å |
| 925 | P | 89.7 | Confident | 89.7 | Confident | 55 Ų | 55 | 64.4 Ų | 64.4 | 36% | 0.357 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -59.3 | 142.9 | 175.5 | -24.9 | 35.5 | 0 | 0 | 0 | 112.5 | K927 E928 | P925-K927 PolarHBondContact O-N 3.41Å; P925-E928 HydrophobicContact CB-CG 4.37Å; P925-E928 WeakPolarHBondContact O-CB 3.47Å; P925-E928 PolarHBondContact O-N 3.32Å |
| 926 | E | 85.7 | Confident | 89.7 | Confident | 143 Ų | 143 | 64.9 Ų | 64.9 | 67% | 0.668 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | -57.4 | -35.5 | -177.1 | -68.8 | 178 | -177.8 | 0 | 0 | 113.5 | E928 Y929 | E926-E928 PolarHBondContact O-N 2.73Å; E926-Y929 HydrophobicContact CB-CE1 4.48Å; E926-Y929 HydrophobicContact CG-CE1 4.3Å; E926-Y929 WeakPolarHBondContact O-CB 3.45Å; E926-Y929 WeakPolarHBondContact O-CD1 3.36Å; E926-Y929 PolarHBondContact O-N 3.33Å |
| 927 | K | 85.3 | Confident | 89.8 | Confident | 190 Ų | 190 | 63.3 Ų | 63.3 | 83% | 0.826 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -63.1 | -22.5 | 176.3 | -63.1 | -174.9 | 179.2 | -174.3 | 0 | 113.2 | P925 | P925-K927 PolarHBondContact O-N 3.41Š|
| 928 | E | 89.8 | Confident | 90.4 | Very high | 38 Ų | 38 | 59.2 Ų | 59.2 | 18% | 0.178 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -95.8 | 3.8 | -179 | -62.4 | 178.9 | -147.4 | 0 | 0 | 112.9 | L924 P925 E926 G930 I931 R1051 | L924-E928 HydrophobicContact CD1-CB 4.08Å; L924-E928 WeakPolarHBondContact CD1-OE2 3.46Å; L924-E928 HydrophobicContact CD2-CB 4.34Å; L924-E928 HydrophobicContact CG-CB 4.03Å; P925-E928 HydrophobicContact CB-CG 4.37Å; P925-E928 WeakPolarHBondContact O-CB 3.47Å; P925-E928 PolarHBondContact O-N 3.32Å; E926-E928 PolarHBondContact O-N 2.73Å; E928-G930 PolarHBondContact O-N 2.9Å; E928-I931 WeakPolarHBondContact O-CB 3.27Å; E928-I931 PolarHBondContact O-N 3.05Å; E928-R1051 IonicContact OE1-CZ 3.72Å; E928-R1051 IonicContact OE1-NE 3.02Å; E928-R1051 IonicContact OE1-NH2 2.86Å; E928-R1051 PolarHBondContact OE1-NH2 2.9Å; E928-R1051 IonicContact OE2-CZ 3.4Å; E928-R1051 IonicContact OE2-NE 2.92Å; E928-R1051 PolarHBondContact OE2-NE 3.33Å; E928-R1051 IonicContact OE2-NH2 3.2Å; E928-R1051 PolarHBondContact OE2-NH2 3.33Å |
| 929 | Y | 90.3 | Very high | 91.2 | Very high | 50 Ų | 50 | 55.6 Ų | 55.6 | 20% | 0.196 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 130.5 | 177.9 | -85.7 | 36.1 | 0 | 0 | 0 | 110.6 | M911 P913 E926 I931 K1136 | M911-Y929 HydrophobicContact CE-CD2 4.18Å; M911-Y929 HydrophobicContact CE-CE2 4.22Å; P913-Y929 HydrophobicContact CB-CE1 4.5Å; P913-Y929 WeakPolarHBondContact CD-OH 3.46Å; P913-Y929 HydrophobicContact CG-CD1 3.91Å; P913-Y929 HydrophobicContact CG-CE1 3.17Å; P913-Y929 HydrophobicContact CG-CE2 4.06Å; P913-Y929 WeakPolarHBondContact CG-OH 3.39Å; E926-Y929 HydrophobicContact CB-CE1 4.48Å; E926-Y929 HydrophobicContact CG-CE1 4.3Å; E926-Y929 WeakPolarHBondContact O-CB 3.45Å; E926-Y929 WeakPolarHBondContact O-CD1 3.36Å; E926-Y929 PolarHBondContact O-N 3.33Å; Y929-I931 VanDerWaalsContact C-N 3.28Å; Y929-I931 PolarHBondContact O-N 3.38Å; Y929-K1136 WeakPolarHBondContact O-CE 3.17Å; Y929-K1136 PolarHBondContact O-NZ 2.88Å |
| 930 | G | 92 | Very high | 91.9 | Very high | 2 Ų | 2 | 45.2 Ų | 45.2 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.4 | 3.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115 | E928 F1040 V1045 | E928-G930 PolarHBondContact O-N 2.9Å; G930-F1040 VanDerWaalsContact CA-CD1 3.44Å; G930-V1045 PolarHBondContact O-N 3.4Å |
| 931 | I | 94.5 | Very high | 92.3 | Very high | 3 Ų | 3 | 38.2 Ų | 38.2 | 2% | 0.015 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 121.7 | 175.7 | -53.9 | -175.6 | 0 | 0 | 0 | 109.7 | E928 Y929 Y933 H1047 K1136 | E928-I931 WeakPolarHBondContact O-CB 3.27Å; E928-I931 PolarHBondContact O-N 3.05Å; Y929-I931 VanDerWaalsContact C-N 3.28Å; Y929-I931 PolarHBondContact O-N 3.38Å; I931-Y933 HydrophobicContact CG2-CE2 3.99Å; I931-H1047 WeakPolarHBondContact CG2-CD2 3.18Å; I931-H1047 WeakPolarHBondContact CG2-NE2 3.37Å; I931-K1136 WeakPolarHBondContact CD1-O 3.36Å; I931-K1136 HydrophobicContact CG1-CD 4.37Å |
| 932 | F | 96.1 | Very high | 92.5 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 0% | 0.004 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 156.3 | -175.9 | -64 | -96.8 | 0 | 0 | 0 | 111.1 | Y938 F940 W993 F1036 F1040 M1044 V1045 I1046 H1047 | F932-Y938 HydrophobicContact CB-CE2 4.44Å; F932-Y938 HydrophobicContact CD1-CD1 4.46Å; F932-Y938 AromaticContact CD1-CD2 3.83Å; F932-Y938 HydrophobicContact CD1-CD2 3.83Å; F932-Y938 HydrophobicContact CD1-CE2 4.11Å; F932-Y938 HydrophobicContact CD1-CG 4.03Å; F932-Y938 HydrophobicContact CE1-CD2 4.45Å; F932-Y938 HydrophobicContact CE1-CG 4.24Å; F932-F940 AromaticContact CE1-CE2 3.61Å; F932-F940 HydrophobicContact CE1-CE2 3.61Å; F932-F940 AromaticContact CE1-CZ 3.63Å; F932-F940 HydrophobicContact CE1-CZ 3.63Å; F932-F940 HydrophobicContact CZ-CE1 4.5Å; F932-F940 AromaticContact CZ-CE2 3.88Å; F932-F940 HydrophobicContact CZ-CE2 3.88Å; F932-F940 AromaticContact CZ-CZ 3.51Å; F932-F940 HydrophobicContact CZ-CZ 3.51Å; F932-W993 HydrophobicContact CB-CH2 3.79Å; F932-W993 HydrophobicContact CB-CZ2 4.11Å; F932-W993 HydrophobicContact CB-CZ3 4.11Å; F932-W993 AromaticContact CD1-CD2 3.72Å; F932-W993 HydrophobicContact CD1-CD2 3.72Å; F932-W993 AromaticContact CD1-CE2 3.98Å; F932-W993 AromaticContact CD1-CE3 3.76Å; F932-W993 HydrophobicContact CD1-CE3 3.76Å; F932-W993 HydrophobicContact CD1-CG 4.22Å; F932-W993 HydrophobicContact CD1-CH2 4.26Å; F932-W993 HydrophobicContact CD1-CZ2 4.25Å; F932-W993 HydrophobicContact CD1-CZ3 4.02Å; F932-W993 HydrophobicContact CE1-CB 4.42Å; F932-W993 HydrophobicContact CE1-CD2 4.09Å; F932-W993 HydrophobicContact CE1-CE3 4.43Å; F932-W993 HydrophobicContact CE1-CG 4.1Å; F932-W993 HydrophobicContact CG-CH2 4.41Å; F932-W993 HydrophobicContact CG-CZ2 4.39Å; F932-F1036 HydrophobicContact CE1-CZ 4.31Å; F932-F1036 HydrophobicContact CZ-CE1 4.31Å; F932-F1036 HydrophobicContact CZ-CZ 4.02Å; F932-F1040 HydrophobicContact CE2-CE1 4.09Å; F932-F1040 HydrophobicContact CE2-CE2 4.45Å; F932-F1040 HydrophobicContact CE2-CZ 4.05Å; F932-F1040 HydrophobicContact CZ-CE1 4.02Å; F932-F1040 HydrophobicContact CZ-CE2 4.15Å; F932-F1040 AromaticContact CZ-CZ 3.62Å; F932-F1040 HydrophobicContact CZ-CZ 3.62Å; F932-M1044 HydrophobicContact CD1-CE 4.33Å; F932-M1044 HydrophobicContact CD2-CE 3.65Å; F932-M1044 HydrophobicContact CD2-CG 3.89Å; F932-M1044 HydrophobicContact CE1-CE 4.25Å; F932-M1044 HydrophobicContact CE2-CE 3.6Å; F932-M1044 HydrophobicContact CE2-CG 3.82Å; F932-M1044 HydrophobicContact CE2-SD 4.42Å; F932-M1044 HydrophobicContact CG-CE 4.04Å; F932-M1044 HydrophobicContact CZ-CE 3.9Å; F932-V1045 PolarHBondContact N-O 3.49Å; F932-I1046 HydrophobicContact CB-CG1 4.29Å; F932-I1046 CarbonylContact O-C 3.58Å; F932-I1046 WeakPolarHBondContact O-CA 3.33Å; F932-H1047 PolarHBondContact O-N 2.96Å |
| 933 | Y | 94.3 | Very high | 92.5 | Very high | 26 Ų | 26 | 38.5 Ų | 38.5 | 10% | 0.102 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 135.8 | -179.9 | -76.5 | -97.3 | 0 | 0 | 0 | 110.8 | I931 C935 D936 Y938 H1047 G1049 R1050 R1051 | I931-Y933 HydrophobicContact CG2-CE2 3.99Å; Y933-C935 PolarHBondContact O-N 3.45Å; Y933-D936 WeakPolarHBondContact CB-OD2 3.4Å; Y933-D936 PolarHBondContact O-N 2.88Å; Y933-Y938 VanDerWaalsContact CD2-OH 3.27Å; Y933-Y938 WeakPolarHBondContact CD2-OH 3.46Å; Y933-Y938 PolarHBondContact N-OH 2.94Å; Y933-H1047 CarbonylContact C-O 3.56Å; Y933-H1047 WeakPolarHBondContact CA-O 3.3Å; Y933-H1047 HydrophobicContact CD1-CB 3.61Å; Y933-H1047 HydrophobicContact CE1-CB 3.59Å; Y933-H1047 HydrophobicContact CG-CB 4.17Å; Y933-G1049 WeakPolarHBondContact CB-O 3.42Å; Y933-R1050 VanDerWaalsContact CD1-C 3.46Å; Y933-R1051 HydrophobicContact CD2-CB 3.94Å; Y933-R1051 HydrophobicContact CD2-CG 4.41Å; Y933-R1051 HydrophobicContact CE2-CB 4.11Å; Y933-R1051 HydrophobicContact CE2-CG 4.19Å; Y933-R1051 HydrophobicContact CG-CB 4.17Å |
| 934 | T | 92 | Very high | 92.4 | Very high | 6 Ų | 6 | 31.7 Ų | 31.7 | 4% | 0.037 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -23.4 | -172.2 | 63.2 | 0 | 0 | 0 | 0 | 114.4 | G995 R996 D997 A998 I1046 H1047 G1049 | T934-G995 CarbonylContact O-C 3.59Å; T934-G995 WeakPolarHBondContact O-CA 3.48Å; T934-R996 PolarHBondContact O-N 3.34Å; T934-D997 VanDerWaalsContact CB-OD2 3.23Å; T934-D997 WeakPolarHBondContact CB-OD2 3.45Å; T934-D997 CarbonylContact O-C 3.54Å; T934-D997 WeakPolarHBondContact O-CA 3.3Å; T934-D997 WeakPolarHBondContact O-CB 3.38Å; T934-D997 PolarHBondContact O-N 3.27Å; T934-D997 PolarHBondContact OG1-OD2 3.24Å; T934-A998 PolarHBondContact O-N 3.22Å; T934-A998 VanDerWaalsContact O-N 3.14Å; T934-I1046 HydrophobicContact CG2-CG2 4.01Å; T934-H1047 WeakPolarHBondContact CG2-O 3.46Å; T934-H1047 PolarHBondContact N-O 3.12Å; T934-G1049 PolarHBondContact N-O 3.42Å; T934-G1049 PolarHBondContact OG1-N 3.32Å |
| 935 | C | 91.6 | Very high | 91.8 | Very high | 28 Ų | 28 | 35.9 Ų | 35.9 | 19% | 0.189 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | 0 | -179.4 | -66.8 | 0 | 0 | 0 | 0 | 114.6 | Y933 D997 G1049 R1050 | Y933-C935 PolarHBondContact O-N 3.45Å; C935-D997 VanDerWaalsContact SG-CB 3.59Å; C935-G1049 VanDerWaalsContact CB-O 3.31Å; C935-G1049 WeakPolarHBondContact CB-O 3.37Å; C935-G1049 PolarHBondContact N-O 3.02Å; C935-R1050 HydrophobicContact CB-CB 4.27Å; C935-R1050 HydrophobicContact CB-CG 3.27Å |
| 936 | D | 93.6 | Very high | 91.2 | Very high | 13 Ų | 13 | 36.7 Ų | 36.7 | 7% | 0.07 | 16% | 0.164 | C | C | . | . | trans | -114.7 | 164.4 | -171.9 | -62.9 | -31.7 | 0 | 0 | 0 | 112.8 | Y933 Y938 G995 A998 R1050 R1051 | Y933-D936 WeakPolarHBondContact CB-OD2 3.4Å; Y933-D936 PolarHBondContact O-N 2.88Å; D936-Y938 HydrophobicContact CB-CE2 3.84Å; D936-G995 PolarHBondContact O-N 3.04Å; D936-G995 VanDerWaalsContact O-N 3.08Å; D936-A998 WeakPolarHBondContact O-CB 3.42Å; D936-R1050 IonicContact OD1-NH1 3.03Å; D936-R1051 WeakPolarHBondContact OD2-CB 3.39Å; D936-R1051 PolarHBondContact OD2-N 3.27Å | ||
| 937 | C | 95.5 | Very high | 90.2 | Very high | 4 Ų | 4 | 33.3 Ų | 33.3 | 3% | 0.027 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 137.4 | 175.8 | -66.9 | 0 | 0 | 0 | 0 | 110 | L916 F992 W993 | L916-C937 HydrophobicContact CB-CB 4.24Å; L916-C937 HydrophobicContact CD2-CB 4.41Å; L916-C937 PolarHBondContact N-O 2.96Å; C937-F992 HydrophobicContact CB-CE1 4.48Å; C937-F992 HydrophobicContact CB-CE2 4.24Å; C937-F992 HydrophobicContact CB-CZ 3.75Å; C937-W993 WeakPolarHBondContact CA-O 3.43Å |
| 938 | Y | 96.4 | Very high | 89 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 148.9 | -179.6 | -62.7 | -103.8 | 0 | 0 | 0 | 110.3 | F914 V915 L924 F932 Y933 D936 F992 W993 | F914-Y938 CarbonylContact O-C 3.41Å; F914-Y938 VanDerWaalsContact O-CA 3.26Å; F914-Y938 WeakPolarHBondContact O-CA 3.2Å; V915-Y938 HydrophobicContact CB-CD1 3.86Å; V915-Y938 HydrophobicContact CB-CE1 3.84Å; V915-Y938 HydrophobicContact CG2-CD1 3.88Å; V915-Y938 HydrophobicContact CG2-CE1 3.56Å; V915-Y938 HydrophobicContact CG2-CE2 4.31Å; V915-Y938 HydrophobicContact CG2-CG 4.39Å; L924-Y938 HydrophobicContact CD1-CE1 4Å; L924-Y938 HydrophobicContact CD2-CD1 4.3Å; L924-Y938 HydrophobicContact CD2-CE1 4.21Å; F932-Y938 HydrophobicContact CB-CE2 4.44Å; F932-Y938 HydrophobicContact CD1-CD1 4.46Å; F932-Y938 AromaticContact CD1-CD2 3.83Å; F932-Y938 HydrophobicContact CD1-CD2 3.83Å; F932-Y938 HydrophobicContact CD1-CE2 4.11Å; F932-Y938 HydrophobicContact CD1-CG 4.03Å; F932-Y938 HydrophobicContact CE1-CD2 4.45Å; F932-Y938 HydrophobicContact CE1-CG 4.24Å; Y933-Y938 VanDerWaalsContact CD2-OH 3.27Å; Y933-Y938 WeakPolarHBondContact CD2-OH 3.46Å; Y933-Y938 PolarHBondContact N-OH 2.94Å; D936-Y938 HydrophobicContact CB-CE2 3.84Å; Y938-F992 CarbonylContact O-C 3.5Å; Y938-F992 WeakPolarHBondContact O-CA 3.45Å; Y938-W993 AromaticContact CD2-CE3 3.62Å; Y938-W993 HydrophobicContact CD2-CE3 3.62Å; Y938-W993 AromaticContact CD2-CZ3 3.89Å; Y938-W993 HydrophobicContact CD2-CZ3 3.89Å; Y938-W993 HydrophobicContact CE2-CE3 4.24Å; Y938-W993 HydrophobicContact CE2-CZ3 4.04Å; Y938-W993 PolarHBondContact N-O 3.22Å; Y938-W993 PolarHBondContact O-N 3.07Å |
| 939 | V | 95.6 | Very high | 87 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 127.5 | 176.9 | 176 | 0 | 0 | 0 | 0 | 108 | P913 F914 F921 V990 Y991 F992 F1006 L1010 F1014 | P913-V939 CarbonylContact C-O 3.48Å; P913-V939 WeakPolarHBondContact CA-O 3.33Å; F914-V939 HydrophobicContact CB-CB 4.27Å; F914-V939 HydrophobicContact CD2-CG1 4.43Å; F914-V939 PolarHBondContact N-O 3.19Å; F914-V939 PolarHBondContact O-N 3.17Å; F921-V939 HydrophobicContact CD1-CB 4.35Å; F921-V939 HydrophobicContact CD1-CG2 3.82Å; F921-V939 HydrophobicContact CE1-CB 4.4Å; F921-V939 HydrophobicContact CE1-CG2 3.44Å; F921-V939 VanDerWaalsContact CE1-CG2 3.44Å; F921-V939 HydrophobicContact CZ-CG2 3.93Å; V939-V990 HydrophobicContact CG1-CG1 3.59Å; V939-Y991 CarbonylContact C-O 3.12Å; V939-Y991 WeakPolarHBondContact CA-O 3.12Å; V939-F992 HydrophobicContact CG2-CD2 3.66Å; V939-F992 HydrophobicContact CG2-CE2 4.18Å; V939-F1006 HydrophobicContact CG1-CD2 4.26Å; V939-F1006 HydrophobicContact CG1-CE2 3.89Å; V939-F1006 HydrophobicContact CG2-CD2 3.73Å; V939-F1006 HydrophobicContact CG2-CE2 4.16Å; V939-F1006 HydrophobicContact CG2-CG 4.4Å; V939-L1010 HydrophobicContact CB-CD2 4.49Å; V939-L1010 HydrophobicContact CG1-CD2 4.1Å; V939-F1014 HydrophobicContact CG1-CE2 4.17Å |
| 940 | F | 95.7 | Very high | 84.6 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 117.7 | 175.1 | -62.2 | -107.1 | 0 | 0 | 0 | 108.3 | M911 E912 P913 F932 V990 Y991 F1036 F1040 | M911-F940 HydrophobicContact CG-CD1 4.15Å; M911-F940 HydrophobicContact SD-CD1 3.98Å; E912-F940 WeakPolarHBondContact O-CA 3.16Å; P913-F940 HydrophobicContact CB-CD1 3.66Å; P913-F940 HydrophobicContact CB-CE1 3.56Å; P913-F940 HydrophobicContact CB-CG 4.41Å; P913-F940 HydrophobicContact CB-CZ 4.23Å; F932-F940 AromaticContact CE1-CE2 3.61Å; F932-F940 HydrophobicContact CE1-CE2 3.61Å; F932-F940 AromaticContact CE1-CZ 3.63Å; F932-F940 HydrophobicContact CE1-CZ 3.63Å; F932-F940 HydrophobicContact CZ-CE1 4.5Å; F932-F940 AromaticContact CZ-CE2 3.88Å; F932-F940 HydrophobicContact CZ-CE2 3.88Å; F932-F940 AromaticContact CZ-CZ 3.51Å; F932-F940 HydrophobicContact CZ-CZ 3.51Å; F940-V990 CarbonylContact O-C 3.48Å; F940-V990 VanDerWaalsContact O-CA 3.3Å; F940-V990 WeakPolarHBondContact O-CA 3.42Å; F940-Y991 PolarHBondContact N-O 2.79Å; F940-Y991 PolarHBondContact O-N 3.26Å; F940-F1036 HydrophobicContact CB-CE2 4.22Å; F940-F1036 HydrophobicContact CD1-CE2 4.34Å; F940-F1036 AromaticContact CD2-CE2 3.63Å; F940-F1036 HydrophobicContact CD2-CE2 3.63Å; F940-F1036 AromaticContact CD2-CZ 3.81Å; F940-F1036 HydrophobicContact CD2-CZ 3.81Å; F940-F1036 HydrophobicContact CE2-CE2 4.07Å; F940-F1036 AromaticContact CE2-CZ 3.78Å; F940-F1036 HydrophobicContact CE2-CZ 3.78Å; F940-F1036 AromaticContact CG-CE2 3.81Å; F940-F1036 HydrophobicContact CG-CE2 3.81Å; F940-F1036 HydrophobicContact CG-CZ 4.37Å; F940-F1036 HydrophobicContact CZ-CZ 4.29Å; F940-F1040 HydrophobicContact CD1-CZ 4.35Å; F940-F1040 AromaticContact CE1-CE1 3.97Å; F940-F1040 HydrophobicContact CE1-CE1 3.97Å; F940-F1040 AromaticContact CE1-CZ 3.75Å; F940-F1040 HydrophobicContact CE1-CZ 3.75Å; F940-F1040 HydrophobicContact CZ-CE1 4.33Å; F940-F1040 AromaticContact CZ-CZ 3.95Å; F940-F1040 HydrophobicContact CZ-CZ 3.95Å |
| 941 | L | 94 | Very high | 82.1 | Confident | 11 Ų | 11 | 46 Ų | 46 | 6% | 0.058 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 108.5 | 170.3 | 172.7 | 66.3 | 0 | 0 | 0 | 108.1 | M911 E912 F914 C988 V990 F1014 F1018 | M911-L941 WeakPolarHBondContact CA-O 3.34Å; E912-L941 HydrophobicContact CB-CB 4.37Å; E912-L941 PolarHBondContact N-O 2.88Å; E912-L941 PolarHBondContact O-N 3.05Å; F914-L941 HydrophobicContact CE2-CB 4.35Å; L941-C988 HydrophobicContact CD1-CB 4.35Å; L941-V990 HydrophobicContact CD1-CG2 3.59Å; L941-F1014 HydrophobicContact CB-CZ 4.26Å; L941-F1014 HydrophobicContact CD2-CD1 4.3Å; L941-F1014 HydrophobicContact CD2-CE1 3.81Å; L941-F1014 HydrophobicContact CD2-CZ 4.14Å; L941-F1018 HydrophobicContact CD1-CD2 4.48Å; L941-F1018 HydrophobicContact CD1-CE2 3.84Å; L941-F1018 HydrophobicContact CD1-CZ 4.38Å; L941-F1018 HydrophobicContact CD2-CE2 3.97Å; L941-F1018 HydrophobicContact CD2-CZ 4.09Å |
| 942 | C | 94.4 | Very high | 79.4 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 134.1 | 177.4 | -61.7 | 0 | 0 | 0 | 0 | 110.2 | L908 L910 Y944 C988 V989 Y991 | L908-C942 HydrophobicContact CD1-CB 3.8Å; L910-C942 CarbonylContact O-C 3.51Å; L910-C942 VanDerWaalsContact O-CA 3.26Å; L910-C942 WeakPolarHBondContact O-CA 3.35Å; C942-Y944 HydrophobicContact CB-CD2 4.4Å; C942-Y944 HydrophobicContact CB-CE2 3.57Å; C942-C988 CarbonylContact O-C 3.6Å; C942-C988 VanDerWaalsContact O-CA 3.27Å; C942-C988 WeakPolarHBondContact O-CA 3.32Å; C942-V989 PolarHBondContact N-O 3.05Å; C942-V989 PolarHBondContact O-N 2.88Å; C942-Y991 HydrophobicContact CB-CD2 4.48Å; C942-Y991 HydrophobicContact CB-CE2 4.17Å |
| 943 | R | 91.2 | Very high | 76.5 | Confident | 89 Ų | 89 | 59.9 Ų | 59.9 | 34% | 0.336 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 121.9 | 169.9 | -178.5 | 177.8 | 164.4 | 168.3 | 0.9 | 108.2 | E909 L910 F986 | E909-R943 PolarHBondContact N-O 2.83Å; E909-R943 VanDerWaalsContact OE2-CD 3.31Å; E909-R943 WeakPolarHBondContact OE2-CD 3.08Å; E909-R943 WeakPolarHBondContact OE2-CG 3.14Å; E909-R943 IonicContact OE2-CZ 2.98Å; E909-R943 IonicContact OE2-NE 3.02Å; E909-R943 PolarHBondContact OE2-NE 2.93Å; E909-R943 IonicContact OE2-NH2 3.52Å; L910-R943 HydrophobicContact CB-CB 4.07Å; L910-R943 PolarHBondContact N-O 3.38Å; L910-R943 PolarHBondContact O-N 3.07Å; R943-F986 HydrophobicContact CG-CB 4.13Å; R943-F986 HydrophobicContact CG-CD2 4.01Å; R943-F986 HydrophobicContact CG-CG 4.33Å |
| 944 | Y | 90.5 | Very high | 73.8 | Confident | 3 Ų | 3 | 61.4 Ų | 61.4 | 1% | 0.012 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 136 | 175.2 | -58.7 | -85.3 | 0 | 0 | 0 | 109.9 | D907 L908 C942 F986 K987 V989 Y991 H1039 | D907-Y944 HydrophobicContact CB-CD1 4.3Å; D907-Y944 CarbonylContact O-C 3.56Å; D907-Y944 WeakPolarHBondContact O-CA 3.46Å; L908-Y944 HydrophobicContact CB-CD1 4.14Å; L908-Y944 HydrophobicContact CB-CE1 4.02Å; L908-Y944 HydrophobicContact CD1-CD1 3.99Å; L908-Y944 HydrophobicContact CD1-CE1 3.53Å; L908-Y944 HydrophobicContact CG-CE1 4.35Å; C942-Y944 HydrophobicContact CB-CD2 4.4Å; C942-Y944 HydrophobicContact CB-CE2 3.57Å; Y944-F986 CarbonylContact O-C 3.6Å; Y944-F986 WeakPolarHBondContact O-CA 3.06Å; Y944-F986 WeakPolarHBondContact O-CB 3.34Å; Y944-K987 PolarHBondContact N-O 2.88Å; Y944-K987 PolarHBondContact O-N 2.77Å; Y944-V989 HydrophobicContact CD2-CB 4.46Å; Y944-V989 HydrophobicContact CD2-CG2 3.85Å; Y944-V989 HydrophobicContact CE2-CB 3.89Å; Y944-V989 HydrophobicContact CE2-CG2 3.66Å; Y944-Y991 HydrophobicContact CE2-CE2 4.5Å; Y944-Y991 WeakPolarHBondContact OH-CE2 3.2Å; Y944-Y991 PolarHBondContact OH-OH 3.02Å; Y944-H1039 AromaticContact CE1-CE1 3.79Å; Y944-H1039 AromaticContact CE1-NE2 3.8Å; Y944-H1039 AromaticContact CZ-NE2 3.61Å; Y944-H1039 PolarHBondContact OH-CE1 2.83Å; Y944-H1039 PolarHBondContact OH-NE2 3.17Å |
| 945 | W | 80.6 | Confident | 71 | Confident | 92 Ų | 92 | 68.7 Ų | 68.7 | 35% | 0.348 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 137.5 | 165.1 | -175.8 | 81.8 | 0 | 0 | 0 | 109.1 | D907 E909 P947 D984 | D907-W945 PolarHBondContact O-N 2.75Å; E909-W945 HydrophobicContact CG-CB 3.96Å; W945-P947 HydrophobicContact CH2-CB 3.72Å; W945-P947 HydrophobicContact CH2-CG 4.45Å; W945-P947 HydrophobicContact CZ2-CB 4.5Å; W945-P947 HydrophobicContact CZ3-CB 3.84Å; W945-P947 HydrophobicContact CZ3-CG 4.06Å; W945-D984 PolarHBondContact NE1-OD1 2.81Å; W945-D984 VanDerWaalsContact NE1-OD1 3.08Å |
| 946 | M | 75.9 | Confident | 68.1 | Low | 72 Ų | 72 | 74.9 Ų | 74.9 | 36% | 0.355 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 121 | 177.4 | -76.8 | -73.6 | -54.4 | 0 | 0 | 108.1 | V948 D985 K987 | M946-V948 PolarHBondContact O-N 2.95Å; M946-D985 HydrophobicContact CB-CB 4.42Å; M946-D985 PolarHBondContact N-O 3.49Å; M946-K987 HydrophobicContact CG-CB 3.74Å; M946-K987 HydrophobicContact SD-CB 4.29Å |
| 947 | P | 64.7 | Low | 65.2 | Low | 71 Ų | 71 | 80.7 Ų | 80.7 | 46% | 0.461 | 40% | 0.403 | S | S | . | . | trans | -62.8 | 132.1 | 171.6 | 23 | -29.3 | 0 | 0 | 0 | 109.4 | W945 Q949 | W945-P947 HydrophobicContact CH2-CB 3.72Å; W945-P947 HydrophobicContact CH2-CG 4.45Å; W945-P947 HydrophobicContact CZ2-CB 4.5Å; W945-P947 HydrophobicContact CZ3-CB 3.84Å; W945-P947 HydrophobicContact CZ3-CG 4.06Å; P947-Q949 PolarHBondContact O-N 2.92Å; P947-Q949 VanDerWaalsContact O-N 3.07Å | ||
| 948 | V | 60.7 | Low | 62.1 | Low | 92 Ų | 92 | 90.4 Ų | 90.4 | 56% | 0.558 | 44% | 0.439 | S | S | * | . | trans | -58.2 | 113.5 | 174.2 | -178.8 | 0 | 0 | 0 | 0 | 107.9 | M946 E950 D985 | M946-V948 PolarHBondContact O-N 2.95Å; V948-E950 PolarHBondContact O-N 3.05Å; V948-E950 VanDerWaalsContact O-N 3.14Å; V948-D985 HydrophobicContact CG2-CB 4.39Å | ||
| 949 | Q | 47.7 | Very low | 59 | Low | 169 Ų | 169 | 97.7 Ų | 97.7 | 79% | 0.79 | 48% | 0.478 | S | S | * | . | trans | -69.2 | 109 | 170.4 | -76.6 | 179.2 | -1.4 | 0 | 0 | 107.3 | P947 D951 | P947-Q949 PolarHBondContact O-N 2.92Å; P947-Q949 VanDerWaalsContact O-N 3.07Å; Q949-D951 PolarHBondContact O-N 2.93Å; Q949-D951 VanDerWaalsContact O-N 3.08Å | ||
| 950 | E | 40.7 | Very low | 55.9 | Low | 164 Ų | 164 | 106.3 Ų | 106.3 | 77% | 0.766 | 52% | 0.518 | S | S | * | . | trans | -58.1 | 114.4 | 164.4 | -69.2 | -176.1 | 168.4 | 0 | 0 | 107.2 | V948 E952 | V948-E950 PolarHBondContact O-N 3.05Å; V948-E950 VanDerWaalsContact O-N 3.14Å; E950-E952 PolarHBondContact O-N 2.94Å | ||
| 951 | D | 38.5 | Very low | 52.9 | Low | 121 Ų | 121 | 112.3 Ų | 112.3 | 65% | 0.647 | 56% | 0.555 | S | S | * | * | trans | -54.9 | 100.9 | 174.2 | -88 | -42.2 | 0 | 0 | 0 | 109 | Q949 N953 A954 | Q949-D951 PolarHBondContact O-N 2.93Å; Q949-D951 VanDerWaalsContact O-N 3.08Å; D951-N953 PolarHBondContact O-N 3.05Å; D951-A954 HydrophobicContact CB-CB 4.11Å; D951-A954 WeakPolarHBondContact O-CB 3.49Å; D951-A954 PolarHBondContact O-N 3.28Å | ||
| 952 | E | 37.7 | Very low | 49.9 | Very low | 174 Ų | 174 | 115.9 Ų | 115.9 | 81% | 0.813 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.7 | -12.5 | 172 | -72.7 | -173 | 152.3 | 0 | 0 | 111.9 | E950 | E950-E952 PolarHBondContact O-N 2.94Š|
| 953 | N | 36.4 | Very low | 46.8 | Very low | 123 Ų | 123 | 120.4 Ų | 120.4 | 66% | 0.658 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | -3.5 | 173.9 | -67.4 | -35.4 | 0 | 0 | 0 | 114.8 | D951 | D951-N953 PolarHBondContact O-N 3.05Š|
| 954 | A | 36.3 | Very low | 43.8 | Very low | 57 Ų | 57 | 123.9 Ų | 123.9 | 47% | 0.471 | 65% | 0.648 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84 | -20.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | D951 | D951-A954 HydrophobicContact CB-CB 4.11Å; D951-A954 WeakPolarHBondContact O-CB 3.49Å; D951-A954 PolarHBondContact O-N 3.28Å |
| 955 | F | 33.1 | Very low | 41 | Very low | 159 Ų | 159 | 128.4 Ų | 128.4 | 70% | 0.697 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -76.3 | -25.8 | 177.2 | -88.9 | -84.4 | 0 | 0 | 0 | 113.7 | ||
| 956 | E | 31.9 | Very low | 38.3 | Very low | 159 Ų | 159 | 132.8 Ų | 132.8 | 74% | 0.743 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -84 | -13.1 | -179.4 | -72.7 | -166.1 | 158 | 0 | 0 | 114.6 | ||
| 957 | N | 31.8 | Very low | 36.1 | Very low | 134 Ų | 134 | 138.2 Ų | 138.2 | 72% | 0.717 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -106.3 | 4.5 | -178.3 | -77.9 | -46.3 | 0 | 0 | 0 | 115.3 | ||
| 958 | R | 30.5 | Very low | 34.4 | Very low | 209 Ų | 209 | 140.2 Ų | 140.2 | 79% | 0.789 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -96.7 | -15.7 | 174 | -90.5 | -175.7 | 170.8 | 177 | -0.7 | 114.8 | ||
| 959 | D | 30.5 | Very low | 32.8 | Very low | 152 Ų | 152 | 140.4 Ų | 140.4 | 81% | 0.813 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | 2.9 | -175.4 | -84.9 | -12.2 | 0 | 0 | 0 | 115.8 | ||
| 960 | E | 30.9 | Very low | 31.6 | Very low | 181 Ų | 181 | 138.7 Ų | 138.7 | 85% | 0.846 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.3 | 0.9 | 175.7 | -73.5 | -159.5 | 158.2 | 0 | 0 | 116 | ||
| 961 | T | 33.2 | Very low | 31.7 | Very low | 126 Ų | 126 | 136 Ų | 136 | 77% | 0.773 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -122.6 | 5.8 | -178.8 | 49 | 0 | 0 | 0 | 0 | 116.4 | ||
| 962 | A | 29.9 | Very low | 31 | Very low | 87 Ų | 87 | 136.1 Ų | 136.1 | 72% | 0.719 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -105.6 | 4.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | N964 | A962-N964 PolarHBondContact O-N 3.3Š|
| 963 | A | 30 | Very low | 30.5 | Very low | 94 Ų | 94 | 131 Ų | 131 | 78% | 0.777 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -85.6 | 2.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 964 | N | 28.1 | Very low | 29.9 | Very low | 162 Ų | 162 | 134.9 Ų | 134.9 | 87% | 0.866 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -131.1 | 67.5 | -178.7 | -81 | -28.1 | 0 | 0 | 0 | 112 | A962 | A962-N964 PolarHBondContact O-N 3.3Š|
| 965 | A | 32 | Very low | 29.5 | Very low | 98 Ų | 98 | 138.2 Ų | 138.2 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | trans | -157.5 | 52 | 159.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q967 | A965-Q967 PolarHBondContact O-N 3.05Š| ||
| 966 | E | 24.8 | Very low | 29.1 | Very low | 185 Ų | 185 | 139.7 Ų | 139.7 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | trans | -77 | 102.1 | 157.4 | -71.4 | -175 | 167.6 | 0 | 0 | 108.4 | ||||
| 967 | Q | 30 | Very low | 28.9 | Very low | 186 Ų | 186 | 138.3 Ų | 138.3 | 87% | 0.869 | 81% | 0.805 | S | S | * | * | trans | -179 | 125.3 | 139.5 | -100.7 | 162.6 | 38.6 | 0 | 0 | 112.6 | A965 | A965-Q967 PolarHBondContact O-N 3.05Š| ||
| 968 | S | 27.9 | Very low | 28.8 | Very low | 112 Ų | 112 | 137.4 Ų | 137.4 | 78% | 0.783 | 81% | 0.807 | S | S | * | * | trans | 78.2 | 114.2 | 146.5 | 67.7 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 969 | A | 27.2 | Very low | 28.7 | Very low | 97 Ų | 97 | 133.7 Ų | 133.7 | 80% | 0.802 | 81% | 0.807 | S | S | * | * | trans | 88.4 | 110.6 | 132 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 970 | T | 23.3 | Very low | 28.7 | Very low | 133 Ų | 133 | 129.7 Ų | 129.7 | 82% | 0.816 | 80% | 0.802 | S | S | * | * | trans | -53 | 174.7 | 152.3 | 40.4 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 971 | P | 42 | Very low | 28.9 | Very low | 108 Ų | 108 | 129.4 Ų | 129.4 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | cis | -134.7 | -178.8 | -28.1 | 33.4 | -13.6 | 0 | 0 | 0 | 113.8 | ||||
| 972 | S | 23.7 | Very low | 29.1 | Very low | 123 Ų | 123 | 129.5 Ų | 129.5 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | trans | 79.5 | 113.4 | 154 | 69.1 | 0 | 0 | 0 | 0 | 119 | ||||
| 973 | G | 26.5 | Very low | 30 | Very low | 66 Ų | 66 | 133.7 Ų | 133.7 | 68% | 0.68 | 81% | 0.806 | S | S | * | * | trans | 165.9 | 86 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110 | T975 | G973-T975 PolarHBondContact O-N 3.4Å; G973-T975 VanDerWaalsContact O-N 3.17Å; G973-T975 PolarHBondContact O-OG1 2.96Å | ||
| 974 | E | 25.1 | Very low | 31.2 | Very low | 204 Ų | 204 | 134.6 Ų | 134.6 | 95% | 0.953 | 80% | 0.797 | S | S | * | * | trans | -43.1 | 115.4 | 172.4 | -64.5 | 165.3 | 165.5 | 0 | 0 | 110.6 | ||||
| 975 | T | 27.4 | Very low | 33.7 | Very low | 128 Ų | 128 | 129.9 Ų | 129.9 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | trans | -127.2 | 110.1 | 162.9 | -29.6 | 0 | 0 | 0 | 0 | 105.9 | G973 T977 | G973-T975 PolarHBondContact O-N 3.4Å; G973-T975 VanDerWaalsContact O-N 3.17Å; G973-T975 PolarHBondContact O-OG1 2.96Å; T975-T977 PolarHBondContact O-N 3.08Å | ||
| 976 | E | 25 | Very low | 36.3 | Very low | 190 Ų | 190 | 127.3 Ų | 127.3 | 89% | 0.888 | 74% | 0.743 | S | S | * | * | trans | -48 | 106.3 | 171.9 | -64.8 | 174.4 | 155.8 | 0 | 0 | 108.7 | P978 | E976-P978 WeakPolarHBondContact O-CD 3.3Š| ||
| 977 | T | 26.9 | Very low | 39.3 | Very low | 129 Ų | 129 | 122.2 Ų | 122.2 | 79% | 0.791 | 72% | 0.718 | S | S | * | * | trans | -71.6 | 115.7 | 163.7 | 42.8 | 0 | 0 | 0 | 0 | 106.6 | T975 T979 | T975-T977 PolarHBondContact O-N 3.08Å; T977-T979 PolarHBondContact O-N 2.95Å | ||
| 978 | P | 30.7 | Very low | 42.2 | Very low | 116 Ų | 116 | 113.4 Ų | 113.4 | 75% | 0.753 | 68% | 0.677 | S | S | * | * | trans | -63.8 | 125.5 | 179.2 | 28.2 | -32.7 | 0 | 0 | 0 | 107.2 | E976 G980 | E976-P978 WeakPolarHBondContact O-CD 3.3Å; P978-G980 PolarHBondContact O-N 3.22Å | ||
| 979 | T | 27.9 | Very low | 45.4 | Very low | 131 Ų | 131 | 108.2 Ų | 108.2 | 80% | 0.804 | 64% | 0.641 | S | S | * | * | trans | -56.3 | 92.6 | 159.3 | 45.9 | 0 | 0 | 0 | 0 | 106.5 | T977 E981 | T977-T979 PolarHBondContact O-N 2.95Å; T979-E981 VanDerWaalsContact C-N 3.32Å; T979-E981 PolarHBondContact O-N 3.04Å | ||
| 980 | G | 30.7 | Very low | 48.6 | Very low | 67 Ų | 67 | 103.6 Ų | 103.6 | 69% | 0.691 | 60% | 0.602 | S | S | * | * | trans | -65.1 | 98 | 171.7 | 0 | 0 | 0 | 0 | 0 | 107.2 | P978 T982 | P978-G980 PolarHBondContact O-N 3.22Å; G980-T982 PolarHBondContact O-N 2.83Å | ||
| 981 | E | 34 | Very low | 52.1 | Low | 176 Ų | 176 | 97.7 Ų | 97.7 | 82% | 0.822 | 57% | 0.565 | S | S | * | * | trans | -54.3 | 107.9 | 160.9 | -65.8 | 177.4 | 164.9 | 0 | 0 | 106.3 | T979 E983 | T979-E981 VanDerWaalsContact C-N 3.32Å; T979-E981 PolarHBondContact O-N 3.04Å; E981-E983 PolarHBondContact O-N 3.15Å | ||
| 982 | T | 39 | Very low | 54.7 | Low | 128 Ų | 128 | 92.5 Ų | 92.5 | 79% | 0.785 | 53% | 0.532 | S | S | * | . | trans | -56.2 | 104.1 | 166.3 | 24.7 | 0 | 0 | 0 | 0 | 107.6 | G980 D984 | G980-T982 PolarHBondContact O-N 2.83Å; T982-D984 PolarHBondContact O-N 3Å | ||
| 983 | E | 47.2 | Very low | 58.2 | Low | 174 Ų | 174 | 86.7 Ų | 86.7 | 81% | 0.813 | 49% | 0.491 | S | S | * | . | P | Polyproline II helix | trans | -63.6 | 125.4 | 176 | -71.4 | -175.4 | 159 | 0 | 0 | 109.8 | E981 D985 | E981-E983 PolarHBondContact O-N 3.15Å; E983-D985 PolarHBondContact O-N 3.31Å |
| 984 | D | 56.4 | Low | 61.5 | Low | 113 Ų | 113 | 83.9 Ų | 83.9 | 60% | 0.604 | 46% | 0.46 | S | S | * | . | P | Polyproline II helix | trans | -56.7 | 127.8 | 171.8 | -70.7 | -57.8 | 0 | 0 | 0 | 111.1 | W945 T982 | W945-D984 PolarHBondContact NE1-OD1 2.81Å; W945-D984 VanDerWaalsContact NE1-OD1 3.08Å; T982-D984 PolarHBondContact O-N 3Å |
| 985 | D | 80.7 | Confident | 64.7 | Low | 64 Ų | 64 | 74.3 Ų | 74.3 | 34% | 0.342 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 158 | 174.4 | -159.8 | 10.9 | 0 | 0 | 0 | 111.6 | M946 V948 E983 K1021 | M946-D985 HydrophobicContact CB-CB 4.42Å; M946-D985 PolarHBondContact N-O 3.49Å; V948-D985 HydrophobicContact CG2-CB 4.39Å; E983-D985 PolarHBondContact O-N 3.31Å; D985-K1021 WeakPolarHBondContact OD1-CE 3.18Å; D985-K1021 IonicContact OD1-NZ 2.71Å; D985-K1021 PolarHBondContact OD1-NZ 3.39Å |
| 986 | F | 85.2 | Confident | 67.6 | Low | 44 Ų | 44 | 70.9 Ų | 70.9 | 19% | 0.193 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 155.8 | -177.4 | 68.2 | -89.3 | 0 | 0 | 0 | 112.2 | R943 Y944 F1018 K1021 | R943-F986 HydrophobicContact CG-CB 4.13Å; R943-F986 HydrophobicContact CG-CD2 4.01Å; R943-F986 HydrophobicContact CG-CG 4.33Å; Y944-F986 CarbonylContact O-C 3.6Å; Y944-F986 WeakPolarHBondContact O-CA 3.06Å; Y944-F986 WeakPolarHBondContact O-CB 3.34Å; F986-F1018 HydrophobicContact CE2-CD1 4.19Å; F986-K1021 HydrophobicContact CD2-CD 4.44Å; F986-K1021 HydrophobicContact CE1-CD 4.32Å; F986-K1021 HydrophobicContact CE2-CD 4.04Å; F986-K1021 HydrophobicContact CZ-CD 3.97Å; F986-K1021 WeakPolarHBondContact O-CD 3.24Å |
| 987 | K | 89.3 | Confident | 70.6 | Confident | 77 Ų | 77 | 66.4 Ų | 66.4 | 34% | 0.335 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 132.8 | 172.7 | -177.5 | 175.6 | 177.5 | -177.3 | 0 | 110.7 | Y944 M946 V989 E1023 | Y944-K987 PolarHBondContact N-O 2.88Å; Y944-K987 PolarHBondContact O-N 2.77Å; M946-K987 HydrophobicContact CG-CB 3.74Å; M946-K987 HydrophobicContact SD-CB 4.29Å; K987-V989 HydrophobicContact CG-CG2 4.42Å; K987-E1023 WeakPolarHBondContact CE-OE2 3.4Å; K987-E1023 IonicContact NZ-OE2 2.8Å; K987-E1023 PolarHBondContact NZ-OE2 3.03Å |
| 988 | C | 91 | Very high | 73.6 | Confident | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.007 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 126 | 174.8 | -71.1 | 0 | 0 | 0 | 0 | 110.6 | L941 C942 F1018 K1021 L1022 E1023 | L941-C988 HydrophobicContact CD1-CB 4.35Å; C942-C988 CarbonylContact O-C 3.6Å; C942-C988 VanDerWaalsContact O-CA 3.27Å; C942-C988 WeakPolarHBondContact O-CA 3.32Å; C988-F1018 HydrophobicContact CB-CB 4.43Å; C988-F1018 HydrophobicContact CB-CD1 4.3Å; C988-F1018 HydrophobicContact CB-CD2 4.28Å; C988-F1018 HydrophobicContact CB-CG 4.08Å; C988-F1018 VanDerWaalsContact SG-CD1 3.53Å; C988-F1018 VanDerWaalsContact SG-CE1 3.6Å; C988-K1021 PolarHBondContact N-O 2.75Å; C988-L1022 HydrophobicContact CB-CD1 3.91Å; C988-L1022 CarbonylContact O-C 3.52Å; C988-L1022 WeakPolarHBondContact O-CA 3.3Å; C988-E1023 PolarHBondContact O-N 3.04Å |
| 989 | V | 94.1 | Very high | 76.1 | Confident | 4 Ų | 4 | 58.7 Ų | 58.7 | 2% | 0.024 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 125.8 | 173.6 | -170.4 | 0 | 0 | 0 | 0 | 109.3 | C942 Y944 K987 Y991 E1023 V1025 | C942-V989 PolarHBondContact N-O 3.05Å; C942-V989 PolarHBondContact O-N 2.88Å; Y944-V989 HydrophobicContact CD2-CB 4.46Å; Y944-V989 HydrophobicContact CD2-CG2 3.85Å; Y944-V989 HydrophobicContact CE2-CB 3.89Å; Y944-V989 HydrophobicContact CE2-CG2 3.66Å; K987-V989 HydrophobicContact CG-CG2 4.42Å; V989-Y991 HydrophobicContact CB-CE2 4.02Å; V989-Y991 HydrophobicContact CG1-CD1 4.32Å; V989-Y991 HydrophobicContact CG1-CD2 4.3Å; V989-Y991 HydrophobicContact CG1-CE1 3.78Å; V989-Y991 HydrophobicContact CG1-CE2 3.78Å; V989-E1023 CarbonylContact C-O 3.49Å; V989-E1023 WeakPolarHBondContact CA-O 3.4Å; V989-E1023 HydrophobicContact CG1-CB 4.34Å; V989-E1023 HydrophobicContact CG2-CB 4.33Å; V989-V1025 HydrophobicContact CG1-CG2 3.78Å |
| 990 | V | 95.5 | Very high | 79 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 110.5 | 175.7 | 178.5 | 0 | 0 | 0 | 0 | 109.3 | V939 F940 L941 F1006 F1014 L1022 E1023 V1024 V1025 | V939-V990 HydrophobicContact CG1-CG1 3.59Å; F940-V990 CarbonylContact O-C 3.48Å; F940-V990 VanDerWaalsContact O-CA 3.3Å; F940-V990 WeakPolarHBondContact O-CA 3.42Å; L941-V990 HydrophobicContact CD1-CG2 3.59Å; V990-F1006 HydrophobicContact CG1-CE2 3.8Å; V990-F1006 HydrophobicContact CG1-CZ 3.61Å; V990-F1014 HydrophobicContact CG1-CD2 4.23Å; V990-F1014 HydrophobicContact CG1-CE2 4.16Å; V990-F1014 HydrophobicContact CG2-CD2 3.66Å; V990-F1014 HydrophobicContact CG2-CE2 4.03Å; V990-F1014 HydrophobicContact CG2-CG 4.36Å; V990-L1022 HydrophobicContact CG2-CD1 3.62Å; V990-E1023 PolarHBondContact N-O 3.35Å; V990-V1024 HydrophobicContact CB-CG2 4.38Å; V990-V1025 PolarHBondContact O-N 3.09Å |
| 991 | Y | 96.7 | Very high | 81.5 | Confident | 8 Ų | 8 | 59.4 Ų | 59.4 | 3% | 0.031 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 112.5 | 174.7 | -62.4 | -75.3 | 0 | 0 | 0 | 110.3 | V939 F940 C942 Y944 V989 V1025 M1027 F1036 | V939-Y991 CarbonylContact C-O 3.12Å; V939-Y991 WeakPolarHBondContact CA-O 3.12Å; F940-Y991 PolarHBondContact N-O 2.79Å; F940-Y991 PolarHBondContact O-N 3.26Å; C942-Y991 HydrophobicContact CB-CD2 4.48Å; C942-Y991 HydrophobicContact CB-CE2 4.17Å; Y944-Y991 HydrophobicContact CE2-CE2 4.5Å; Y944-Y991 WeakPolarHBondContact OH-CE2 3.2Å; Y944-Y991 PolarHBondContact OH-OH 3.02Å; V989-Y991 HydrophobicContact CB-CE2 4.02Å; V989-Y991 HydrophobicContact CG1-CD1 4.32Å; V989-Y991 HydrophobicContact CG1-CD2 4.3Å; V989-Y991 HydrophobicContact CG1-CE1 3.78Å; V989-Y991 HydrophobicContact CG1-CE2 3.78Å; Y991-V1025 CarbonylContact C-O 3.58Å; Y991-V1025 WeakPolarHBondContact CA-O 3.47Å; Y991-V1025 HydrophobicContact CD1-CB 3.82Å; Y991-V1025 HydrophobicContact CD1-CG1 4.13Å; Y991-V1025 HydrophobicContact CD1-CG2 4.37Å; Y991-V1025 HydrophobicContact CE1-CB 4.09Å; Y991-V1025 HydrophobicContact CE1-CG1 4.31Å; Y991-V1025 HydrophobicContact CE1-CG2 4.16Å; Y991-M1027 HydrophobicContact CD1-CE 3.49Å; Y991-M1027 VanDerWaalsContact CD1-CE 3.49Å; Y991-M1027 HydrophobicContact CD1-SD 4.14Å; Y991-M1027 HydrophobicContact CE1-CE 4.49Å; Y991-M1027 HydrophobicContact CG-CE 3.91Å; Y991-F1036 HydrophobicContact CD1-CB 4.26Å; Y991-F1036 HydrophobicContact CD1-CD2 4.08Å; Y991-F1036 HydrophobicContact CD1-CG 4.45Å; Y991-F1036 AromaticContact CD2-CD2 3.78Å; Y991-F1036 HydrophobicContact CD2-CD2 3.78Å; Y991-F1036 HydrophobicContact CD2-CE2 4.39Å; Y991-F1036 HydrophobicContact CE1-CB 4.27Å; Y991-F1036 HydrophobicContact CE2-CD2 4.39Å; Y991-F1036 AromaticContact CG-CD2 3.58Å; Y991-F1036 HydrophobicContact CG-CD2 3.58Å; Y991-F1036 HydrophobicContact CG-CE2 4.14Å; Y991-F1036 HydrophobicContact CG-CG 4.38Å |
| 992 | F | 96.8 | Very high | 84 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 112.5 | 169.7 | -176.6 | -83.3 | 0 | 0 | 0 | 109.2 | F921 C937 Y938 V939 Q994 W1003 F1006 V1025 R1026 M1027 | F921-F992 HydrophobicContact CZ-CE2 4.03Å; C937-F992 HydrophobicContact CB-CE1 4.48Å; C937-F992 HydrophobicContact CB-CE2 4.24Å; C937-F992 HydrophobicContact CB-CZ 3.75Å; Y938-F992 CarbonylContact O-C 3.5Å; Y938-F992 WeakPolarHBondContact O-CA 3.45Å; V939-F992 HydrophobicContact CG2-CD2 3.66Å; V939-F992 HydrophobicContact CG2-CE2 4.18Å; F992-Q994 HydrophobicContact CD1-CB 4.47Å; F992-Q994 HydrophobicContact CE1-CB 3.93Å; F992-Q994 HydrophobicContact CE1-CG 4.48Å; F992-W1003 HydrophobicContact CB-CE3 4.18Å; F992-W1003 HydrophobicContact CB-CZ3 3.86Å; F992-W1003 AromaticContact CD1-CE3 3.62Å; F992-W1003 HydrophobicContact CD1-CE3 3.62Å; F992-W1003 HydrophobicContact CD1-CZ3 4.14Å; F992-W1003 AromaticContact CD2-CE3 3.88Å; F992-W1003 HydrophobicContact CD2-CE3 3.88Å; F992-W1003 HydrophobicContact CD2-CZ3 4.25Å; F992-W1003 HydrophobicContact CE1-CB 4.07Å; F992-W1003 AromaticContact CE1-CE3 3.9Å; F992-W1003 HydrophobicContact CE1-CE3 3.9Å; F992-W1003 HydrophobicContact CE2-CE3 4.19Å; F992-W1003 AromaticContact CG-CE3 3.62Å; F992-W1003 HydrophobicContact CG-CE3 3.62Å; F992-W1003 AromaticContact CG-CZ3 3.83Å; F992-W1003 HydrophobicContact CG-CZ3 3.83Å; F992-W1003 VanDerWaalsContact CZ-CA 3.46Å; F992-W1003 HydrophobicContact CZ-CB 3.97Å; F992-W1003 HydrophobicContact CZ-CE3 4.21Å; F992-F1006 HydrophobicContact CD2-CB 3.85Å; F992-F1006 AromaticContact CD2-CD1 3.94Å; F992-F1006 HydrophobicContact CD2-CD1 3.94Å; F992-F1006 HydrophobicContact CD2-CD2 4.29Å; F992-F1006 AromaticContact CD2-CG 3.75Å; F992-F1006 HydrophobicContact CD2-CG 3.75Å; F992-F1006 HydrophobicContact CE2-CB 3.66Å; F992-F1006 HydrophobicContact CE2-CG 4.11Å; F992-V1025 PolarHBondContact N-O 3.47Å; F992-R1026 HydrophobicContact CD1-CG 3.98Å; F992-M1027 PolarHBondContact O-N 2.79Å |
| 993 | W | 97.1 | Very high | 86.6 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 129 | 176.4 | -174.6 | 96.8 | 0 | 0 | 0 | 110.5 | F932 C937 Y938 G995 Q1029 E1032 M1044 I1046 | F932-W993 HydrophobicContact CB-CH2 3.79Å; F932-W993 HydrophobicContact CB-CZ2 4.11Å; F932-W993 HydrophobicContact CB-CZ3 4.11Å; F932-W993 AromaticContact CD1-CD2 3.72Å; F932-W993 HydrophobicContact CD1-CD2 3.72Å; F932-W993 AromaticContact CD1-CE2 3.98Å; F932-W993 AromaticContact CD1-CE3 3.76Å; F932-W993 HydrophobicContact CD1-CE3 3.76Å; F932-W993 HydrophobicContact CD1-CG 4.22Å; F932-W993 HydrophobicContact CD1-CH2 4.26Å; F932-W993 HydrophobicContact CD1-CZ2 4.25Å; F932-W993 HydrophobicContact CD1-CZ3 4.02Å; F932-W993 HydrophobicContact CE1-CB 4.42Å; F932-W993 HydrophobicContact CE1-CD2 4.09Å; F932-W993 HydrophobicContact CE1-CE3 4.43Å; F932-W993 HydrophobicContact CE1-CG 4.1Å; F932-W993 HydrophobicContact CG-CH2 4.41Å; F932-W993 HydrophobicContact CG-CZ2 4.39Å; C937-W993 WeakPolarHBondContact CA-O 3.43Å; Y938-W993 AromaticContact CD2-CE3 3.62Å; Y938-W993 HydrophobicContact CD2-CE3 3.62Å; Y938-W993 AromaticContact CD2-CZ3 3.89Å; Y938-W993 HydrophobicContact CD2-CZ3 3.89Å; Y938-W993 HydrophobicContact CE2-CE3 4.24Å; Y938-W993 HydrophobicContact CE2-CZ3 4.04Å; Y938-W993 PolarHBondContact N-O 3.22Å; Y938-W993 PolarHBondContact O-N 3.07Å; W993-G995 VanDerWaalsContact CH2-CA 3.48Å; W993-Q1029 HydrophobicContact CH2-CB 4.17Å; W993-Q1029 HydrophobicContact CZ2-CB 3.6Å; W993-Q1029 HydrophobicContact CZ2-CG 3.98Å; W993-E1032 PolarHBondContact NE1-OE1 3.47Å; W993-M1044 HydrophobicContact CZ2-CE 4.47Å; W993-I1046 HydrophobicContact CH2-CG2 4.4Å; W993-I1046 HydrophobicContact CZ2-CD1 4.25Å |
| 994 | Q | 95 | Very high | 88.5 | Confident | 8 Ų | 8 | 42.9 Ų | 42.9 | 4% | 0.037 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 121.9 | 178.7 | -169.9 | 171.4 | -11.5 | 0 | 0 | 111.1 | F992 A998 N1000 M1027 Y1028 Q1029 | F992-Q994 HydrophobicContact CD1-CB 4.47Å; F992-Q994 HydrophobicContact CE1-CB 3.93Å; F992-Q994 HydrophobicContact CE1-CG 4.48Å; Q994-A998 HydrophobicContact CG-CB 3.88Å; Q994-A998 PolarHBondContact NE2-O 2.88Å; Q994-N1000 PolarHBondContact NE2-OD1 2.72Å; Q994-N1000 VanDerWaalsContact NE2-OD1 3.12Å; Q994-M1027 PolarHBondContact N-O 3.36Å; Q994-Y1028 HydrophobicContact CB-CD1 4.05Å; Q994-Y1028 HydrophobicContact CB-CE1 4.43Å; Q994-Y1028 HydrophobicContact CG-CD1 4.43Å; Q994-Y1028 WeakPolarHBondContact O-CA 3.21Å; Q994-Q1029 PolarHBondContact O-N 3.27Å |
| 995 | G | 92.7 | Very high | 90 | Very high | 2 Ų | 2 | 39.1 Ų | 39.1 | 2% | 0.021 | 20% | 0.201 | C | C | . | . | trans | -63.3 | 153.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | T934 D936 W993 D997 A998 | T934-G995 CarbonylContact O-C 3.59Å; T934-G995 WeakPolarHBondContact O-CA 3.48Å; D936-G995 PolarHBondContact O-N 3.04Å; D936-G995 VanDerWaalsContact O-N 3.08Å; W993-G995 VanDerWaalsContact CH2-CA 3.48Å; G995-D997 PolarHBondContact O-N 3.31Å; G995-A998 VanDerWaalsContact O-CB 3.28Å; G995-A998 WeakPolarHBondContact O-CB 3.5Å; G995-A998 PolarHBondContact O-N 3.29Å | ||
| 996 | R | 88.6 | Confident | 90.5 | Very high | 56 Ų | 56 | 36.1 Ų | 36.1 | 21% | 0.211 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -36.9 | -178.1 | 175.6 | 177.3 | -80.7 | 157.6 | 8.5 | 112.9 | T934 Q1029 D1200 | T934-R996 PolarHBondContact O-N 3.34Å; R996-Q1029 HydrophobicContact CB-CB 4.42Å; R996-D1200 IonicContact CZ-OD1 3.23Å; R996-D1200 IonicContact CZ-OD2 3.98Å; R996-D1200 IonicContact NE-OD1 2.83Å; R996-D1200 PolarHBondContact NE-OD1 3.27Å; R996-D1200 IonicContact NE-OD2 2.8Å; R996-D1200 PolarHBondContact NE-OD2 3.01Å; R996-D1200 IonicContact NH2-OD1 3.25Å; R996-D1200 IonicContact NH2-OD2 3.04Å; R996-D1200 PolarHBondContact NH2-OD2 3.46Å |
| 997 | D | 87.9 | Confident | 90.7 | Very high | 96 Ų | 96 | 35.3 Ų | 35.3 | 51% | 0.513 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | 4 | -178.2 | -53 | -47.8 | 0 | 0 | 0 | 112.1 | T934 C935 G995 | T934-D997 VanDerWaalsContact CB-OD2 3.23Å; T934-D997 WeakPolarHBondContact CB-OD2 3.45Å; T934-D997 CarbonylContact O-C 3.54Å; T934-D997 WeakPolarHBondContact O-CA 3.3Å; T934-D997 WeakPolarHBondContact O-CB 3.38Å; T934-D997 PolarHBondContact O-N 3.27Å; T934-D997 PolarHBondContact OG1-OD2 3.24Å; C935-D997 VanDerWaalsContact SG-CB 3.59Å; G995-D997 PolarHBondContact O-N 3.31Å |
| 998 | A | 89.2 | Confident | 90.6 | Very high | 11 Ų | 11 | 38.7 Ų | 38.7 | 9% | 0.091 | 20% | 0.198 | C | C | . | . | trans | -82.5 | 134.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | T934 D936 Q994 G995 | T934-A998 PolarHBondContact O-N 3.22Å; T934-A998 VanDerWaalsContact O-N 3.14Å; D936-A998 WeakPolarHBondContact O-CB 3.42Å; Q994-A998 HydrophobicContact CG-CB 3.88Å; Q994-A998 PolarHBondContact NE2-O 2.88Å; G995-A998 VanDerWaalsContact O-CB 3.28Å; G995-A998 WeakPolarHBondContact O-CB 3.5Å; G995-A998 PolarHBondContact O-N 3.29Å | ||
| 999 | S | 84.2 | Confident | 90.3 | Very high | 72 Ų | 72 | 41.1 Ų | 41.1 | 50% | 0.503 | 22% | 0.216 | S | C | . | . | trans | -69.1 | 149.9 | 179.6 | 71.9 | 0 | 0 | 0 | 0 | 112.9 | M1001 G1002 | S999-M1001 PolarHBondContact O-N 3.47Å; S999-G1002 PolarHBondContact O-N 3.03Å | ||
| 1000 | N | 87.1 | Confident | 89.9 | Confident | 98 Ų | 98 | 42.2 Ų | 42.2 | 52% | 0.524 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -12.3 | 171.4 | -79.8 | -24.2 | 0 | 0 | 0 | 114.2 | Q994 G1002 W1003 L1004 R1026 | Q994-N1000 PolarHBondContact NE2-OD1 2.72Å; Q994-N1000 VanDerWaalsContact NE2-OD1 3.12Å; N1000-G1002 PolarHBondContact O-N 2.9Å; N1000-W1003 WeakPolarHBondContact O-CB 3.22Å; N1000-W1003 PolarHBondContact O-N 3.05Å; N1000-W1003 VanDerWaalsContact O-N 3.17Å; N1000-L1004 PolarHBondContact O-N 2.73Å; N1000-R1026 PolarHBondContact OD1-NH2 3.42Å |
| 1001 | M | 83.1 | Confident | 89.6 | Confident | 116 Ų | 116 | 43.9 Ų | 43.9 | 57% | 0.571 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -59.9 | -29.6 | 174.3 | -71.6 | -58.1 | -58.2 | 0 | 0 | 112.6 | S999 L1004 T1005 | S999-M1001 PolarHBondContact O-N 3.47Å; M1001-L1004 PolarHBondContact O-N 3.45Å; M1001-L1004 HydrophobicContact SD-CD1 4.05Å; M1001-T1005 WeakPolarHBondContact O-CB 3.27Å; M1001-T1005 PolarHBondContact O-N 2.98Å; M1001-T1005 PolarHBondContact O-OG1 3.26Å |
| 1002 | G | 87.6 | Confident | 89.1 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.9 | -40.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L916 S999 N1000 T1005 F1006 | L916-G1002 VanDerWaalsContact CD2-CA 3.49Å; S999-G1002 PolarHBondContact O-N 3.03Å; N1000-G1002 PolarHBondContact O-N 2.9Å; G1002-T1005 PolarHBondContact O-N 3.04Å; G1002-F1006 PolarHBondContact O-N 3.38Å |
| 1003 | W | 92.3 | Very high | 88.6 | Confident | 56 Ų | 56 | 56.1 Ų | 56.1 | 21% | 0.212 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.2 | -48.1 | 175.1 | 173.9 | -108.5 | 0 | 0 | 0 | 111.2 | F992 N1000 T1005 F1006 T1007 V1024 R1026 | F992-W1003 HydrophobicContact CB-CE3 4.18Å; F992-W1003 HydrophobicContact CB-CZ3 3.86Å; F992-W1003 AromaticContact CD1-CE3 3.62Å; F992-W1003 HydrophobicContact CD1-CE3 3.62Å; F992-W1003 HydrophobicContact CD1-CZ3 4.14Å; F992-W1003 AromaticContact CD2-CE3 3.88Å; F992-W1003 HydrophobicContact CD2-CE3 3.88Å; F992-W1003 HydrophobicContact CD2-CZ3 4.25Å; F992-W1003 HydrophobicContact CE1-CB 4.07Å; F992-W1003 AromaticContact CE1-CE3 3.9Å; F992-W1003 HydrophobicContact CE1-CE3 3.9Å; F992-W1003 HydrophobicContact CE2-CE3 4.19Å; F992-W1003 AromaticContact CG-CE3 3.62Å; F992-W1003 HydrophobicContact CG-CE3 3.62Å; F992-W1003 AromaticContact CG-CZ3 3.83Å; F992-W1003 HydrophobicContact CG-CZ3 3.83Å; F992-W1003 VanDerWaalsContact CZ-CA 3.46Å; F992-W1003 HydrophobicContact CZ-CB 3.97Å; F992-W1003 HydrophobicContact CZ-CE3 4.21Å; N1000-W1003 WeakPolarHBondContact O-CB 3.22Å; N1000-W1003 PolarHBondContact O-N 3.05Å; N1000-W1003 VanDerWaalsContact O-N 3.17Å; W1003-T1005 VanDerWaalsContact C-N 3.31Å; W1003-T1005 PolarHBondContact O-N 3.44Å; W1003-F1006 AromaticContact CE3-CD1 3.97Å; W1003-F1006 HydrophobicContact CE3-CD1 3.97Å; W1003-F1006 HydrophobicContact CH2-CD1 4.38Å; W1003-F1006 HydrophobicContact CH2-CE1 4.33Å; W1003-F1006 AromaticContact CZ3-CD1 3.73Å; W1003-F1006 HydrophobicContact CZ3-CD1 3.73Å; W1003-F1006 AromaticContact CZ3-CE1 3.91Å; W1003-F1006 HydrophobicContact CZ3-CE1 3.91Å; W1003-F1006 WeakPolarHBondContact O-CB 3.46Å; W1003-F1006 PolarHBondContact O-N 2.94Å; W1003-F1006 VanDerWaalsContact O-N 3.14Å; W1003-T1007 HydrophobicContact CD2-CG2 3.94Å; W1003-T1007 VanDerWaalsContact CE2-CG2 3.47Å; W1003-T1007 HydrophobicContact CE3-CG2 4.44Å; W1003-T1007 HydrophobicContact CG-CG2 4.42Å; W1003-T1007 HydrophobicContact CH2-CG2 4.18Å; W1003-T1007 HydrophobicContact CZ2-CG2 3.62Å; W1003-T1007 WeakPolarHBondContact O-CG2 3.41Å; W1003-T1007 PolarHBondContact O-N 3.31Å; W1003-T1007 PolarHBondContact O-OG1 3.35Å; W1003-V1024 HydrophobicContact CH2-CG1 4.18Å; W1003-V1024 HydrophobicContact CZ3-CG1 4.47Å; W1003-R1026 HydrophobicContact CE3-CB 4.45Å; W1003-R1026 HydrophobicContact CE3-CG 4Å; W1003-R1026 HydrophobicContact CH2-CB 4.06Å; W1003-R1026 HydrophobicContact CH2-CG 4.43Å; W1003-R1026 HydrophobicContact CZ3-CB 3.89Å; W1003-R1026 HydrophobicContact CZ3-CG 3.94Å |
| 1004 | L | 88.5 | Confident | 88.2 | Confident | 75 Ų | 75 | 56.7 Ų | 56.7 | 39% | 0.393 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.4 | -41.1 | 177.3 | -66.2 | 174.1 | 0 | 0 | 0 | 112.1 | N1000 M1001 F1006 T1007 F1008 | N1000-L1004 PolarHBondContact O-N 2.73Å; M1001-L1004 PolarHBondContact O-N 3.45Å; M1001-L1004 HydrophobicContact SD-CD1 4.05Å; L1004-F1006 VanDerWaalsContact C-N 3.3Å; L1004-F1006 PolarHBondContact O-N 3.33Å; L1004-T1007 PolarHBondContact O-N 3.38Å; L1004-T1007 PolarHBondContact O-OG1 3.18Å; L1004-T1007 VanDerWaalsContact O-OG1 3.06Å; L1004-F1008 HydrophobicContact CB-CD2 4.4Å; L1004-F1008 HydrophobicContact CB-CE2 4.47Å; L1004-F1008 HydrophobicContact CD2-CE2 4.21Å; L1004-F1008 WeakPolarHBondContact O-CD2 3.46Å; L1004-F1008 PolarHBondContact O-N 3.08Å |
| 1005 | T | 87.5 | Confident | 87.8 | Confident | 34 Ų | 34 | 60.4 Ų | 60.4 | 21% | 0.209 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.7 | -42.3 | 176.8 | -54.7 | 0 | 0 | 0 | 0 | 110.6 | L916 F921 M1001 G1002 W1003 S1009 | L916-T1005 HydrophobicContact CD1-CG2 4.16Å; F921-T1005 HydrophobicContact CE2-CG2 4.29Å; M1001-T1005 WeakPolarHBondContact O-CB 3.27Å; M1001-T1005 PolarHBondContact O-N 2.98Å; M1001-T1005 PolarHBondContact O-OG1 3.26Å; G1002-T1005 PolarHBondContact O-N 3.04Å; W1003-T1005 VanDerWaalsContact C-N 3.31Å; W1003-T1005 PolarHBondContact O-N 3.44Å; T1005-S1009 WeakPolarHBondContact O-CB 3.2Å; T1005-S1009 PolarHBondContact O-N 3.27Å; T1005-S1009 VanDerWaalsContact O-N 3.16Å; T1005-S1009 PolarHBondContact O-OG 2.78Å |
| 1006 | F | 91.7 | Very high | 87.3 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 33% | 0.331 | C | S | . | . | I | π-helix | trans | -62.3 | -51.4 | 175.7 | 168.2 | -101.4 | 0 | 0 | 0 | 112 | F921 V939 V990 F992 G1002 W1003 L1004 F1008 S1009 L1010 Q1011 F1014 V1024 | F921-F1006 HydrophobicContact CE2-CB 3.7Å; F921-F1006 HydrophobicContact CZ-CB 3.84Å; V939-F1006 HydrophobicContact CG1-CD2 4.26Å; V939-F1006 HydrophobicContact CG1-CE2 3.89Å; V939-F1006 HydrophobicContact CG2-CD2 3.73Å; V939-F1006 HydrophobicContact CG2-CE2 4.16Å; V939-F1006 HydrophobicContact CG2-CG 4.4Å; V990-F1006 HydrophobicContact CG1-CE2 3.8Å; V990-F1006 HydrophobicContact CG1-CZ 3.61Å; F992-F1006 HydrophobicContact CD2-CB 3.85Å; F992-F1006 AromaticContact CD2-CD1 3.94Å; F992-F1006 HydrophobicContact CD2-CD1 3.94Å; F992-F1006 HydrophobicContact CD2-CD2 4.29Å; F992-F1006 AromaticContact CD2-CG 3.75Å; F992-F1006 HydrophobicContact CD2-CG 3.75Å; F992-F1006 HydrophobicContact CE2-CB 3.66Å; F992-F1006 HydrophobicContact CE2-CG 4.11Å; G1002-F1006 PolarHBondContact O-N 3.38Å; W1003-F1006 AromaticContact CE3-CD1 3.97Å; W1003-F1006 HydrophobicContact CE3-CD1 3.97Å; W1003-F1006 HydrophobicContact CH2-CD1 4.38Å; W1003-F1006 HydrophobicContact CH2-CE1 4.33Å; W1003-F1006 AromaticContact CZ3-CD1 3.73Å; W1003-F1006 HydrophobicContact CZ3-CD1 3.73Å; W1003-F1006 AromaticContact CZ3-CE1 3.91Å; W1003-F1006 HydrophobicContact CZ3-CE1 3.91Å; W1003-F1006 WeakPolarHBondContact O-CB 3.46Å; W1003-F1006 PolarHBondContact O-N 2.94Å; W1003-F1006 VanDerWaalsContact O-N 3.14Å; L1004-F1006 VanDerWaalsContact C-N 3.3Å; L1004-F1006 PolarHBondContact O-N 3.33Å; F1006-F1008 VanDerWaalsContact C-N 3.34Å; F1006-F1008 PolarHBondContact O-N 3.2Å; F1006-S1009 PolarHBondContact O-N 2.79Å; F1006-L1010 HydrophobicContact CD2-CB 3.93Å; F1006-L1010 HydrophobicContact CD2-CD2 4.18Å; F1006-L1010 HydrophobicContact CD2-CG 4.44Å; F1006-L1010 HydrophobicContact CE2-CB 4.28Å; F1006-L1010 HydrophobicContact CE2-CD2 4.33Å; F1006-L1010 HydrophobicContact CE2-CG 4.46Å; F1006-L1010 PolarHBondContact O-N 2.97Å; F1006-Q1011 HydrophobicContact CD1-CB 4.25Å; F1006-Q1011 HydrophobicContact CE1-CB 3.8Å; F1006-Q1011 HydrophobicContact CE1-CG 4.17Å; F1006-Q1011 HydrophobicContact CE2-CB 4.3Å; F1006-Q1011 HydrophobicContact CZ-CB 3.83Å; F1006-Q1011 HydrophobicContact CZ-CG 4.27Å; F1006-Q1011 WeakPolarHBondContact O-CB 3.4Å; F1006-Q1011 PolarHBondContact O-N 3.34Å; F1006-F1014 HydrophobicContact CE2-CD2 4.28Å; F1006-F1014 HydrophobicContact CE2-CE2 4.26Å; F1006-V1024 HydrophobicContact CE1-CG1 3.74Å; F1006-V1024 HydrophobicContact CZ-CG1 4.05Å |
| 1007 | T | 89 | Confident | 87.1 | Confident | 28 Ų | 28 | 67.9 Ų | 67.9 | 17% | 0.172 | 35% | 0.352 | C | S | . | . | I | π-helix | trans | -63.1 | -38.1 | -176.5 | 60.1 | 0 | 0 | 0 | 0 | 112.7 | W1003 L1004 Q1011 | W1003-T1007 HydrophobicContact CD2-CG2 3.94Å; W1003-T1007 VanDerWaalsContact CE2-CG2 3.47Å; W1003-T1007 HydrophobicContact CE3-CG2 4.44Å; W1003-T1007 HydrophobicContact CG-CG2 4.42Å; W1003-T1007 HydrophobicContact CH2-CG2 4.18Å; W1003-T1007 HydrophobicContact CZ2-CG2 3.62Å; W1003-T1007 WeakPolarHBondContact O-CG2 3.41Å; W1003-T1007 PolarHBondContact O-N 3.31Å; W1003-T1007 PolarHBondContact O-OG1 3.35Å; L1004-T1007 PolarHBondContact O-N 3.38Å; L1004-T1007 PolarHBondContact O-OG1 3.18Å; L1004-T1007 VanDerWaalsContact O-OG1 3.06Å; T1007-Q1011 VanDerWaalsContact CG2-OE1 3.3Å |
| 1008 | F | 86.4 | Confident | 86.9 | Confident | 147 Ų | 147 | 65.4 Ų | 65.4 | 65% | 0.645 | 34% | 0.337 | S | S | * | . | I | π-helix | trans | -81.7 | -19.8 | -179.4 | -73.2 | -61 | 0 | 0 | 0 | 114.7 | L1004 F1006 | L1004-F1008 HydrophobicContact CB-CD2 4.4Å; L1004-F1008 HydrophobicContact CB-CE2 4.47Å; L1004-F1008 HydrophobicContact CD2-CE2 4.21Å; L1004-F1008 WeakPolarHBondContact O-CD2 3.46Å; L1004-F1008 PolarHBondContact O-N 3.08Å; F1006-F1008 VanDerWaalsContact C-N 3.34Å; F1006-F1008 PolarHBondContact O-N 3.2Å |
| 1009 | S | 85.7 | Confident | 86.7 | Confident | 53 Ų | 53 | 72.5 Ų | 72.5 | 37% | 0.371 | 37% | 0.366 | S | S | . | . | I | π-helix | trans | -117.2 | -75.5 | -176.1 | 68.7 | 0 | 0 | 0 | 0 | 112.9 | T1005 F1006 | T1005-S1009 WeakPolarHBondContact O-CB 3.2Å; T1005-S1009 PolarHBondContact O-N 3.27Å; T1005-S1009 VanDerWaalsContact O-N 3.16Å; T1005-S1009 PolarHBondContact O-OG 2.78Å; F1006-S1009 PolarHBondContact O-N 2.79Å |
| 1010 | L | 86 | Confident | 86.5 | Confident | 26 Ų | 26 | 76 Ų | 76 | 14% | 0.136 | 38% | 0.379 | C | S | . | . | I | π-helix | trans | -74.1 | -35.9 | -168.3 | -165.8 | 66.2 | 0 | 0 | 0 | 112.7 | F921 V939 F1006 K1012 K1013 F1014 | F921-L1010 HydrophobicContact CB-CD2 3.95Å; F921-L1010 HydrophobicContact CD2-CB 4.36Å; F921-L1010 HydrophobicContact CD2-CD2 4.15Å; F921-L1010 HydrophobicContact CG-CD2 4Å; V939-L1010 HydrophobicContact CB-CD2 4.49Å; V939-L1010 HydrophobicContact CG1-CD2 4.1Å; F1006-L1010 HydrophobicContact CD2-CB 3.93Å; F1006-L1010 HydrophobicContact CD2-CD2 4.18Å; F1006-L1010 HydrophobicContact CD2-CG 4.44Å; F1006-L1010 HydrophobicContact CE2-CB 4.28Å; F1006-L1010 HydrophobicContact CE2-CD2 4.33Å; F1006-L1010 HydrophobicContact CE2-CG 4.46Å; F1006-L1010 PolarHBondContact O-N 2.97Å; L1010-K1012 PolarHBondContact O-N 3.06Å; L1010-K1013 WeakPolarHBondContact O-CB 3.33Å; L1010-K1013 PolarHBondContact O-N 2.86Å; L1010-F1014 HydrophobicContact CD1-CE1 4.16Å; L1010-F1014 HydrophobicContact CD1-CE2 4.28Å; L1010-F1014 HydrophobicContact CD1-CZ 3.87Å; L1010-F1014 HydrophobicContact CD2-CE2 3.68Å; L1010-F1014 HydrophobicContact CD2-CZ 3.77Å; L1010-F1014 HydrophobicContact CG-CD2 4.13Å; L1010-F1014 HydrophobicContact CG-CE1 4.29Å; L1010-F1014 HydrophobicContact CG-CE2 3.53Å; L1010-F1014 HydrophobicContact CG-CZ 3.62Å; L1010-F1014 PolarHBondContact O-N 3.36Å |
| 1011 | Q | 88.9 | Confident | 86.4 | Confident | 35 Ų | 35 | 74.7 Ų | 74.7 | 16% | 0.164 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -59.2 | -48.4 | 177.8 | -176.5 | 177.4 | -11 | 0 | 0 | 111.6 | F1006 T1007 K1013 F1014 E1015 V1024 | F1006-Q1011 HydrophobicContact CD1-CB 4.25Å; F1006-Q1011 HydrophobicContact CE1-CB 3.8Å; F1006-Q1011 HydrophobicContact CE1-CG 4.17Å; F1006-Q1011 HydrophobicContact CE2-CB 4.3Å; F1006-Q1011 HydrophobicContact CZ-CB 3.83Å; F1006-Q1011 HydrophobicContact CZ-CG 4.27Å; F1006-Q1011 WeakPolarHBondContact O-CB 3.4Å; F1006-Q1011 PolarHBondContact O-N 3.34Å; T1007-Q1011 VanDerWaalsContact CG2-OE1 3.3Å; Q1011-K1013 PolarHBondContact O-N 3.49Å; Q1011-F1014 PolarHBondContact O-N 3.21Å; Q1011-F1014 VanDerWaalsContact O-N 3.09Å; Q1011-E1015 HydrophobicContact CG-CG 4.22Å; Q1011-E1015 WeakPolarHBondContact CG-OE1 3.29Å; Q1011-E1015 PolarHBondContact NE2-OE1 3.31Å; Q1011-E1015 WeakPolarHBondContact O-CG 3.39Å; Q1011-E1015 PolarHBondContact O-N 2.72Å; Q1011-V1024 HydrophobicContact CG-CG2 4.4Å |
| 1012 | K | 86.8 | Confident | 86.7 | Confident | 127 Ų | 127 | 70.5 Ų | 70.5 | 55% | 0.552 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -58.6 | -35.3 | 177.6 | -70 | -173.4 | 176.3 | -177.5 | 0 | 112.9 | L1010 S1016 | L1010-K1012 PolarHBondContact O-N 3.06Å; K1012-S1016 WeakPolarHBondContact O-CB 3.37Å; K1012-S1016 PolarHBondContact O-N 2.88Å |
| 1013 | K | 85.7 | Confident | 86.9 | Confident | 138 Ų | 138 | 74.3 Ų | 74.3 | 60% | 0.6 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -68.1 | -43.9 | 175.8 | -69.1 | -178.6 | 178.9 | -176.3 | 0 | 111.2 | L1010 Q1011 S1016 L1017 | L1010-K1013 WeakPolarHBondContact O-CB 3.33Å; L1010-K1013 PolarHBondContact O-N 2.86Å; Q1011-K1013 PolarHBondContact O-N 3.49Å; K1013-S1016 PolarHBondContact O-N 2.88Å; K1013-L1017 VanDerWaalsContact O-CG 3.3Å; K1013-L1017 WeakPolarHBondContact O-CG 3.46Å; K1013-L1017 PolarHBondContact O-N 2.9Å; K1013-L1017 VanDerWaalsContact O-N 3.12Å |
| 1014 | F | 88.7 | Confident | 86.9 | Confident | 13 Ų | 13 | 73.9 Ų | 73.9 | 6% | 0.057 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -66.1 | -42.2 | 175.5 | -64.1 | -29.9 | 0 | 0 | 0 | 112.1 | F914 V939 L941 V990 F1006 L1010 Q1011 S1016 L1017 F1018 L1022 | F914-F1014 HydrophobicContact CE2-CZ 4.16Å; V939-F1014 HydrophobicContact CG1-CE2 4.17Å; L941-F1014 HydrophobicContact CB-CZ 4.26Å; L941-F1014 HydrophobicContact CD2-CD1 4.3Å; L941-F1014 HydrophobicContact CD2-CE1 3.81Å; L941-F1014 HydrophobicContact CD2-CZ 4.14Å; V990-F1014 HydrophobicContact CG1-CD2 4.23Å; V990-F1014 HydrophobicContact CG1-CE2 4.16Å; V990-F1014 HydrophobicContact CG2-CD2 3.66Å; V990-F1014 HydrophobicContact CG2-CE2 4.03Å; V990-F1014 HydrophobicContact CG2-CG 4.36Å; F1006-F1014 HydrophobicContact CE2-CD2 4.28Å; F1006-F1014 HydrophobicContact CE2-CE2 4.26Å; L1010-F1014 HydrophobicContact CD1-CE1 4.16Å; L1010-F1014 HydrophobicContact CD1-CE2 4.28Å; L1010-F1014 HydrophobicContact CD1-CZ 3.87Å; L1010-F1014 HydrophobicContact CD2-CE2 3.68Å; L1010-F1014 HydrophobicContact CD2-CZ 3.77Å; L1010-F1014 HydrophobicContact CG-CD2 4.13Å; L1010-F1014 HydrophobicContact CG-CE1 4.29Å; L1010-F1014 HydrophobicContact CG-CE2 3.53Å; L1010-F1014 HydrophobicContact CG-CZ 3.62Å; L1010-F1014 PolarHBondContact O-N 3.36Å; Q1011-F1014 PolarHBondContact O-N 3.21Å; Q1011-F1014 VanDerWaalsContact O-N 3.09Å; F1014-S1016 VanDerWaalsContact C-N 3.29Å; F1014-S1016 PolarHBondContact O-N 2.97Å; F1014-L1017 PolarHBondContact O-N 3.23Å; F1014-L1017 VanDerWaalsContact O-N 3.09Å; F1014-F1018 HydrophobicContact CB-CD2 4.2Å; F1014-F1018 HydrophobicContact CB-CE2 4.47Å; F1014-F1018 HydrophobicContact CD1-CE2 4.15Å; F1014-F1018 VanDerWaalsContact O-CD2 3.3Å; F1014-F1018 WeakPolarHBondContact O-CD2 3.13Å; F1014-F1018 PolarHBondContact O-N 3.26Å; F1014-L1022 HydrophobicContact CB-CD1 4.25Å; F1014-L1022 HydrophobicContact CB-CD2 3.67Å |
| 1015 | E | 86.3 | Confident | 87.2 | Confident | 85 Ų | 85 | 71.6 Ų | 71.6 | 40% | 0.397 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.1 | -38.4 | 175.3 | -73.1 | 172.2 | 172.4 | 0 | 0 | 111.5 | Q1011 L1017 K1019 L1022 | Q1011-E1015 HydrophobicContact CG-CG 4.22Å; Q1011-E1015 WeakPolarHBondContact CG-OE1 3.29Å; Q1011-E1015 PolarHBondContact NE2-OE1 3.31Å; Q1011-E1015 WeakPolarHBondContact O-CG 3.39Å; Q1011-E1015 PolarHBondContact O-N 2.72Å; E1015-L1017 VanDerWaalsContact C-N 3.33Å; E1015-L1017 PolarHBondContact O-N 3.46Å; E1015-K1019 WeakPolarHBondContact O-CA 3.35Å; E1015-K1019 PolarHBondContact O-N 3.14Å; E1015-L1022 HydrophobicContact CB-CD2 4.41Å; E1015-L1022 HydrophobicContact CG-CD2 3.76Å |
| 1016 | S | 82.8 | Confident | 87.6 | Confident | 90 Ų | 90 | 73.4 Ų | 73.4 | 63% | 0.629 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -64.7 | -34.7 | 173.3 | 176.3 | 0 | 0 | 0 | 0 | 113.3 | K1012 K1013 F1014 | K1012-S1016 WeakPolarHBondContact O-CB 3.37Å; K1012-S1016 PolarHBondContact O-N 2.88Å; K1013-S1016 PolarHBondContact O-N 2.88Å; F1014-S1016 VanDerWaalsContact C-N 3.29Å; F1014-S1016 PolarHBondContact O-N 2.97Å |
| 1017 | L | 83.4 | Confident | 87.7 | Confident | 126 Ų | 126 | 73.8 Ų | 73.8 | 66% | 0.66 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -83.2 | -41.6 | -175.6 | -72.9 | 169.1 | 0 | 0 | 0 | 112.3 | K1013 F1014 E1015 | K1013-L1017 VanDerWaalsContact O-CG 3.3Å; K1013-L1017 WeakPolarHBondContact O-CG 3.46Å; K1013-L1017 PolarHBondContact O-N 2.9Å; K1013-L1017 VanDerWaalsContact O-N 3.12Å; F1014-L1017 PolarHBondContact O-N 3.23Å; F1014-L1017 VanDerWaalsContact O-N 3.09Å; E1015-L1017 VanDerWaalsContact C-N 3.33Å; E1015-L1017 PolarHBondContact O-N 3.46Å |
| 1018 | F | 84.9 | Confident | 87.9 | Confident | 44 Ų | 44 | 76.8 Ų | 76.8 | 19% | 0.193 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -111.1 | -10.5 | -170.5 | -55.1 | -64.3 | 0 | 0 | 0 | 113.8 | L941 F986 C988 F1014 D1020 K1021 L1022 | L941-F1018 HydrophobicContact CD1-CD2 4.48Å; L941-F1018 HydrophobicContact CD1-CE2 3.84Å; L941-F1018 HydrophobicContact CD1-CZ 4.38Å; L941-F1018 HydrophobicContact CD2-CE2 3.97Å; L941-F1018 HydrophobicContact CD2-CZ 4.09Å; F986-F1018 HydrophobicContact CE2-CD1 4.19Å; C988-F1018 HydrophobicContact CB-CB 4.43Å; C988-F1018 HydrophobicContact CB-CD1 4.3Å; C988-F1018 HydrophobicContact CB-CD2 4.28Å; C988-F1018 HydrophobicContact CB-CG 4.08Å; C988-F1018 VanDerWaalsContact SG-CD1 3.53Å; C988-F1018 VanDerWaalsContact SG-CE1 3.6Å; F1014-F1018 HydrophobicContact CB-CD2 4.2Å; F1014-F1018 HydrophobicContact CB-CE2 4.47Å; F1014-F1018 HydrophobicContact CD1-CE2 4.15Å; F1014-F1018 VanDerWaalsContact O-CD2 3.3Å; F1014-F1018 WeakPolarHBondContact O-CD2 3.13Å; F1014-F1018 PolarHBondContact O-N 3.26Å; F1018-D1020 PolarHBondContact O-N 3.44Å; F1018-D1020 VanDerWaalsContact O-N 3.12Å; F1018-K1021 WeakPolarHBondContact O-CB 3.47Å; F1018-K1021 PolarHBondContact O-N 3.28Å; F1018-L1022 HydrophobicContact CB-CB 4.02Å; F1018-L1022 HydrophobicContact CB-CD1 4.32Å; F1018-L1022 HydrophobicContact CD2-CD1 3.95Å; F1018-L1022 HydrophobicContact CG-CD1 4.48Å |
| 1019 | K | 83.3 | Confident | 88.3 | Confident | 159 Ų | 159 | 70 Ų | 70 | 69% | 0.691 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | 46.8 | -113.1 | 177.5 | -61.8 | 180 | -178 | 174.8 | 0 | 112.6 | E1015 | E1015-K1019 WeakPolarHBondContact O-CA 3.35Å; E1015-K1019 PolarHBondContact O-N 3.14Å |
| 1020 | D | 80.6 | Confident | 88.6 | Confident | 147 Ų | 147 | 67.8 Ų | 67.8 | 79% | 0.786 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -77.7 | -15.9 | -176.9 | 55 | -45.6 | 0 | 0 | 0 | 113.8 | F1018 L1022 | F1018-D1020 PolarHBondContact O-N 3.44Å; F1018-D1020 VanDerWaalsContact O-N 3.12Å; D1020-L1022 VanDerWaalsContact C-N 3.27Å; D1020-L1022 PolarHBondContact O-N 2.98Å |
| 1021 | K | 84.9 | Confident | 88.9 | Confident | 70 Ų | 70 | 70.3 Ų | 70.3 | 30% | 0.304 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -83.1 | 0.9 | 177.1 | -57.8 | -172.6 | 176.5 | -162.7 | 0 | 113.7 | D985 F986 C988 F1018 | D985-K1021 WeakPolarHBondContact OD1-CE 3.18Å; D985-K1021 IonicContact OD1-NZ 2.71Å; D985-K1021 PolarHBondContact OD1-NZ 3.39Å; F986-K1021 HydrophobicContact CD2-CD 4.44Å; F986-K1021 HydrophobicContact CE1-CD 4.32Å; F986-K1021 HydrophobicContact CE2-CD 4.04Å; F986-K1021 HydrophobicContact CZ-CD 3.97Å; F986-K1021 WeakPolarHBondContact O-CD 3.24Å; C988-K1021 PolarHBondContact N-O 2.75Å; F1018-K1021 WeakPolarHBondContact O-CB 3.47Å; F1018-K1021 PolarHBondContact O-N 3.28Å |
| 1022 | L | 89.2 | Confident | 89.2 | Confident | 28 Ų | 28 | 69.1 Ų | 69.1 | 15% | 0.147 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 125.9 | -176.4 | -168.8 | 68.9 | 0 | 0 | 0 | 112.7 | C988 V990 F1014 E1015 F1018 D1020 V1024 | C988-L1022 HydrophobicContact CB-CD1 3.91Å; C988-L1022 CarbonylContact O-C 3.52Å; C988-L1022 WeakPolarHBondContact O-CA 3.3Å; V990-L1022 HydrophobicContact CG2-CD1 3.62Å; F1014-L1022 HydrophobicContact CB-CD1 4.25Å; F1014-L1022 HydrophobicContact CB-CD2 3.67Å; E1015-L1022 HydrophobicContact CB-CD2 4.41Å; E1015-L1022 HydrophobicContact CG-CD2 3.76Å; F1018-L1022 HydrophobicContact CB-CB 4.02Å; F1018-L1022 HydrophobicContact CB-CD1 4.32Å; F1018-L1022 HydrophobicContact CD2-CD1 3.95Å; F1018-L1022 HydrophobicContact CG-CD1 4.48Å; D1020-L1022 VanDerWaalsContact C-N 3.27Å; D1020-L1022 PolarHBondContact O-N 2.98Å; L1022-V1024 HydrophobicContact CD2-CG2 4.21Å; L1022-V1024 HydrophobicContact CG-CG2 4.32Å |
| 1023 | E | 91.6 | Very high | 89.5 | Confident | 80 Ų | 80 | 65.8 Ų | 65.8 | 37% | 0.374 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 134.8 | 166.2 | -175.2 | -178.3 | 165.7 | 0 | 0 | 110.2 | K987 C988 V989 V990 V1025 | K987-E1023 WeakPolarHBondContact CE-OE2 3.4Å; K987-E1023 IonicContact NZ-OE2 2.8Å; K987-E1023 PolarHBondContact NZ-OE2 3.03Å; C988-E1023 PolarHBondContact O-N 3.04Å; V989-E1023 CarbonylContact C-O 3.49Å; V989-E1023 WeakPolarHBondContact CA-O 3.4Å; V989-E1023 HydrophobicContact CG1-CB 4.34Å; V989-E1023 HydrophobicContact CG2-CB 4.33Å; V990-E1023 PolarHBondContact N-O 3.35Å; E1023-V1025 HydrophobicContact CG-CG2 4.12Å |
| 1024 | V | 93.4 | Very high | 89.7 | Confident | 46 Ų | 46 | 62.4 Ų | 62.4 | 28% | 0.279 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 119.5 | 177 | -179.6 | 0 | 0 | 0 | 0 | 109.5 | V990 W1003 F1006 Q1011 L1022 | V990-V1024 HydrophobicContact CB-CG2 4.38Å; W1003-V1024 HydrophobicContact CH2-CG1 4.18Å; W1003-V1024 HydrophobicContact CZ3-CG1 4.47Å; F1006-V1024 HydrophobicContact CE1-CG1 3.74Å; F1006-V1024 HydrophobicContact CZ-CG1 4.05Å; Q1011-V1024 HydrophobicContact CG-CG2 4.4Å; L1022-V1024 HydrophobicContact CD2-CG2 4.21Å; L1022-V1024 HydrophobicContact CG-CG2 4.32Å |
| 1025 | V | 94.4 | Very high | 89.9 | Confident | 27 Ų | 27 | 65.3 Ų | 65.3 | 16% | 0.164 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 116.8 | -178.5 | -175.9 | 0 | 0 | 0 | 0 | 109.4 | V989 V990 Y991 F992 E1023 M1027 | V989-V1025 HydrophobicContact CG1-CG2 3.78Å; V990-V1025 PolarHBondContact O-N 3.09Å; Y991-V1025 CarbonylContact C-O 3.58Å; Y991-V1025 WeakPolarHBondContact CA-O 3.47Å; Y991-V1025 HydrophobicContact CD1-CB 3.82Å; Y991-V1025 HydrophobicContact CD1-CG1 4.13Å; Y991-V1025 HydrophobicContact CD1-CG2 4.37Å; Y991-V1025 HydrophobicContact CE1-CB 4.09Å; Y991-V1025 HydrophobicContact CE1-CG1 4.31Å; Y991-V1025 HydrophobicContact CE1-CG2 4.16Å; F992-V1025 PolarHBondContact N-O 3.47Å; E1023-V1025 HydrophobicContact CG-CG2 4.12Å; V1025-M1027 HydrophobicContact CG1-CG 3.99Å; V1025-M1027 HydrophobicContact CG1-SD 4.34Å |
| 1026 | R | 95.3 | Very high | 90.3 | Very high | 73 Ų | 73 | 61.3 Ų | 61.3 | 28% | 0.275 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 127.5 | 174.2 | -173 | -179.3 | -178.4 | -174.4 | -2.4 | 110.2 | F992 N1000 W1003 Y1028 | F992-R1026 HydrophobicContact CD1-CG 3.98Å; N1000-R1026 PolarHBondContact OD1-NH2 3.42Å; W1003-R1026 HydrophobicContact CE3-CB 4.45Å; W1003-R1026 HydrophobicContact CE3-CG 4Å; W1003-R1026 HydrophobicContact CH2-CB 4.06Å; W1003-R1026 HydrophobicContact CH2-CG 4.43Å; W1003-R1026 HydrophobicContact CZ3-CB 3.89Å; W1003-R1026 HydrophobicContact CZ3-CG 3.94Å; R1026-Y1028 PolarHBondContact NE-OH 2.85Å; R1026-Y1028 PolarHBondContact NH2-OH 3.36Å |
| 1027 | M | 94.4 | Very high | 90.8 | Very high | 7 Ų | 7 | 57.1 Ų | 57.1 | 3% | 0.034 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 151.3 | 179.5 | -61.1 | 180 | -61.7 | 0 | 0 | 110.5 | Y991 F992 Q994 V1025 E1032 F1036 | Y991-M1027 HydrophobicContact CD1-CE 3.49Å; Y991-M1027 VanDerWaalsContact CD1-CE 3.49Å; Y991-M1027 HydrophobicContact CD1-SD 4.14Å; Y991-M1027 HydrophobicContact CE1-CE 4.49Å; Y991-M1027 HydrophobicContact CG-CE 3.91Å; F992-M1027 PolarHBondContact O-N 2.79Å; Q994-M1027 PolarHBondContact N-O 3.36Å; V1025-M1027 HydrophobicContact CG1-CG 3.99Å; V1025-M1027 HydrophobicContact CG1-SD 4.34Å; M1027-E1032 HydrophobicContact SD-CB 4.2Å; M1027-F1036 HydrophobicContact CE-CB 3.85Å; M1027-F1036 HydrophobicContact CE-CD1 3.57Å; M1027-F1036 HydrophobicContact CE-CD2 3.74Å; M1027-F1036 HydrophobicContact CE-CE1 3.94Å; M1027-F1036 HydrophobicContact CE-CE2 4.12Å; M1027-F1036 HydrophobicContact CE-CG 3.43Å; M1027-F1036 VanDerWaalsContact CE-CG 3.43Å; M1027-F1036 HydrophobicContact CE-CZ 4.2Å; M1027-F1036 HydrophobicContact SD-CB 4.14Å; M1027-F1036 HydrophobicContact SD-CD1 4.38Å; M1027-F1036 HydrophobicContact SD-CG 4.29Å |
| 1028 | Y | 93.4 | Very high | 91.3 | Very high | 92 Ų | 92 | 51.2 Ų | 51.2 | 36% | 0.361 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 156.6 | 172.8 | -58.7 | -85.8 | 0 | 0 | 0 | 109.2 | Q994 R1026 Q1030 Q1031 | Q994-Y1028 HydrophobicContact CB-CD1 4.05Å; Q994-Y1028 HydrophobicContact CB-CE1 4.43Å; Q994-Y1028 HydrophobicContact CG-CD1 4.43Å; Q994-Y1028 WeakPolarHBondContact O-CA 3.21Å; R1026-Y1028 PolarHBondContact NE-OH 2.85Å; R1026-Y1028 PolarHBondContact NH2-OH 3.36Å; Y1028-Q1030 PolarHBondContact O-N 3.25Å; Y1028-Q1031 WeakPolarHBondContact O-CA 3.31Å; Y1028-Q1031 PolarHBondContact O-N 3.13Å |
| 1029 | Q | 93.6 | Very high | 91.8 | Very high | 5 Ų | 5 | 49.8 Ų | 49.8 | 2% | 0.023 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -45.6 | 129.8 | 172.2 | 171.6 | 172.6 | -14.7 | 0 | 0 | 112 | W993 Q994 R996 Q1031 E1032 I1046 | W993-Q1029 HydrophobicContact CH2-CB 4.17Å; W993-Q1029 HydrophobicContact CZ2-CB 3.6Å; W993-Q1029 HydrophobicContact CZ2-CG 3.98Å; Q994-Q1029 PolarHBondContact O-N 3.27Å; R996-Q1029 HydrophobicContact CB-CB 4.42Å; Q1029-Q1031 PolarHBondContact O-N 3.42Å; Q1029-E1032 WeakPolarHBondContact CA-OE1 3.33Å; Q1029-I1046 HydrophobicContact CG-CD1 4.13Å |
| 1030 | Q | 93.1 | Very high | 92.3 | Very high | 6 Ų | 6 | 43 Ų | 43 | 3% | 0.028 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.4 | 5.9 | -176.6 | -57.2 | 179.1 | -84.4 | 0 | 0 | 115.8 | Y1028 E1032 I1080 C1198 H1271 | Y1028-Q1030 PolarHBondContact O-N 3.25Å; Q1030-E1032 VanDerWaalsContact C-OE2 3.27Å; Q1030-E1032 WeakPolarHBondContact CA-OE2 3.44Å; Q1030-E1032 VanDerWaalsContact N-CD 3.31Å; Q1030-E1032 PolarHBondContact N-OE1 2.86Å; Q1030-E1032 PolarHBondContact N-OE2 3.06Å; Q1030-I1080 HydrophobicContact CG-CD1 3.79Å; Q1030-C1198 HydrophobicContact CB-CB 3.57Å; Q1030-H1271 PolarHBondContact NE2-O 3.36Å |
| 1031 | Q | 93.2 | Very high | 92.9 | Very high | 79 Ų | 79 | 42.4 Ų | 42.4 | 37% | 0.369 | 20% | 0.195 | S | C | . | . | trans | -117.5 | 28.4 | 172.6 | -61.9 | -177.5 | 6.2 | 0 | 0 | 111.3 | Y1028 Q1029 | Y1028-Q1031 WeakPolarHBondContact O-CA 3.31Å; Y1028-Q1031 PolarHBondContact O-N 3.13Å; Q1029-Q1031 PolarHBondContact O-N 3.42Å | ||
| 1032 | E | 94 | Very high | 93.3 | Very high | 10 Ų | 10 | 40.5 Ų | 40.5 | 5% | 0.047 | 19% | 0.186 | C | C | . | . | trans | -73.1 | 144.8 | 177 | -50.8 | 84.8 | 178.7 | 0 | 0 | 111.2 | W993 M1027 Q1029 Q1030 F1036 L1037 M1044 R1078 | W993-E1032 PolarHBondContact NE1-OE1 3.47Å; M1027-E1032 HydrophobicContact SD-CB 4.2Å; Q1029-E1032 WeakPolarHBondContact CA-OE1 3.33Å; Q1030-E1032 VanDerWaalsContact C-OE2 3.27Å; Q1030-E1032 WeakPolarHBondContact CA-OE2 3.44Å; Q1030-E1032 VanDerWaalsContact N-CD 3.31Å; Q1030-E1032 PolarHBondContact N-OE1 2.86Å; Q1030-E1032 PolarHBondContact N-OE2 3.06Å; E1032-F1036 HydrophobicContact CB-CD1 3.9Å; E1032-F1036 HydrophobicContact CG-CD1 4.02Å; E1032-F1036 HydrophobicContact CG-CE1 4.13Å; E1032-L1037 HydrophobicContact CB-CD1 4.14Å; E1032-L1037 HydrophobicContact CB-CD2 3.9Å; E1032-L1037 HydrophobicContact CB-CG 3.83Å; E1032-L1037 HydrophobicContact CG-CD2 4.33Å; E1032-M1044 HydrophobicContact CG-CE 4.2Å; E1032-R1078 IonicContact OE2-CZ 3.33Å; E1032-R1078 VanDerWaalsContact OE2-CZ 3.23Å; E1032-R1078 IonicContact OE2-NE 3.5Å; E1032-R1078 PolarHBondContact OE2-NE 3.4Å; E1032-R1078 IonicContact OE2-NH2 3.79Å; E1032-R1078 PolarHBondContact OE2-NH2 2.83Å | ||
| 1033 | N | 92.5 | Very high | 93.5 | Very high | 56 Ų | 56 | 40.5 Ų | 40.5 | 30% | 0.299 | 19% | 0.186 | S | C | . | . | trans | -77.2 | 160 | 174.8 | 67 | 40.5 | 0 | 0 | 0 | 111.8 | K1035 F1036 L1037 | N1033-K1035 VanDerWaalsContact C-N 3.3Å; N1033-K1035 PolarHBondContact O-N 2.7Å; N1033-K1035 PolarHBondContact OD1-N 3.33Å; N1033-F1036 PolarHBondContact O-N 3.38Å; N1033-F1036 WeakPolarHBondContact OD1-CB 3.31Å; N1033-F1036 PolarHBondContact OD1-N 2.86Å; N1033-L1037 WeakPolarHBondContact O-CG 2.85Å; N1033-L1037 PolarHBondContact O-N 3.22Å; N1033-L1037 VanDerWaalsContact O-N 3.09Å | ||
| 1034 | Q | 90.7 | Very high | 93.7 | Very high | 67 Ų | 67 | 36.7 Ų | 36.7 | 31% | 0.313 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -60.4 | -38.7 | -177.9 | -58.8 | -60.4 | -22.2 | 0 | 0 | 112.6 | M900 F1036 L1037 S1038 V1075 C1076 | M900-Q1034 HydrophobicContact CE-CB 4.1Å; M900-Q1034 HydrophobicContact CE-CG 4.31Å; Q1034-F1036 PolarHBondContact O-N 2.87Å; Q1034-L1037 PolarHBondContact O-N 2.95Å; Q1034-S1038 WeakPolarHBondContact O-CB 3.45Å; Q1034-S1038 PolarHBondContact O-N 3.31Å; Q1034-V1075 HydrophobicContact CB-CG1 4.44Å; Q1034-C1076 PolarHBondContact NE2-SG 2.9Å; Q1034-C1076 PolarHBondContact OE1-SG 3.31Å |
| 1035 | K | 91.9 | Very high | 93.8 | Very high | 75 Ų | 75 | 34.5 Ų | 34.5 | 33% | 0.326 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -60.3 | -47.6 | -179.9 | -173.3 | 166.8 | -179.8 | 170.5 | 0 | 110.9 | N1033 S1038 H1039 | N1033-K1035 VanDerWaalsContact C-N 3.3Å; N1033-K1035 PolarHBondContact O-N 2.7Å; N1033-K1035 PolarHBondContact OD1-N 3.33Å; K1035-S1038 WeakPolarHBondContact O-CB 3.43Å; K1035-S1038 PolarHBondContact O-N 2.78Å; K1035-S1038 PolarHBondContact O-OG 3.21Å; K1035-H1039 PolarHBondContact O-CD2 3.31Å; K1035-H1039 PolarHBondContact O-NE2 2.85Å |
| 1036 | F | 94.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.6 | -44.8 | 175.7 | 179.1 | -105.5 | 0 | 0 | 0 | 112.5 | F932 F940 Y991 M1027 E1032 N1033 Q1034 S1038 H1039 F1040 M1044 | F932-F1036 HydrophobicContact CE1-CZ 4.31Å; F932-F1036 HydrophobicContact CZ-CE1 4.31Å; F932-F1036 HydrophobicContact CZ-CZ 4.02Å; F940-F1036 HydrophobicContact CB-CE2 4.22Å; F940-F1036 HydrophobicContact CD1-CE2 4.34Å; F940-F1036 AromaticContact CD2-CE2 3.63Å; F940-F1036 HydrophobicContact CD2-CE2 3.63Å; F940-F1036 AromaticContact CD2-CZ 3.81Å; F940-F1036 HydrophobicContact CD2-CZ 3.81Å; F940-F1036 HydrophobicContact CE2-CE2 4.07Å; F940-F1036 AromaticContact CE2-CZ 3.78Å; F940-F1036 HydrophobicContact CE2-CZ 3.78Å; F940-F1036 AromaticContact CG-CE2 3.81Å; F940-F1036 HydrophobicContact CG-CE2 3.81Å; F940-F1036 HydrophobicContact CG-CZ 4.37Å; F940-F1036 HydrophobicContact CZ-CZ 4.29Å; Y991-F1036 HydrophobicContact CD1-CB 4.26Å; Y991-F1036 HydrophobicContact CD1-CD2 4.08Å; Y991-F1036 HydrophobicContact CD1-CG 4.45Å; Y991-F1036 AromaticContact CD2-CD2 3.78Å; Y991-F1036 HydrophobicContact CD2-CD2 3.78Å; Y991-F1036 HydrophobicContact CD2-CE2 4.39Å; Y991-F1036 HydrophobicContact CE1-CB 4.27Å; Y991-F1036 HydrophobicContact CE2-CD2 4.39Å; Y991-F1036 AromaticContact CG-CD2 3.58Å; Y991-F1036 HydrophobicContact CG-CD2 3.58Å; Y991-F1036 HydrophobicContact CG-CE2 4.14Å; Y991-F1036 HydrophobicContact CG-CG 4.38Å; M1027-F1036 HydrophobicContact CE-CB 3.85Å; M1027-F1036 HydrophobicContact CE-CD1 3.57Å; M1027-F1036 HydrophobicContact CE-CD2 3.74Å; M1027-F1036 HydrophobicContact CE-CE1 3.94Å; M1027-F1036 HydrophobicContact CE-CE2 4.12Å; M1027-F1036 HydrophobicContact CE-CG 3.43Å; M1027-F1036 VanDerWaalsContact CE-CG 3.43Å; M1027-F1036 HydrophobicContact CE-CZ 4.2Å; M1027-F1036 HydrophobicContact SD-CB 4.14Å; M1027-F1036 HydrophobicContact SD-CD1 4.38Å; M1027-F1036 HydrophobicContact SD-CG 4.29Å; E1032-F1036 HydrophobicContact CB-CD1 3.9Å; E1032-F1036 HydrophobicContact CG-CD1 4.02Å; E1032-F1036 HydrophobicContact CG-CE1 4.13Å; N1033-F1036 PolarHBondContact O-N 3.38Å; N1033-F1036 WeakPolarHBondContact OD1-CB 3.31Å; N1033-F1036 PolarHBondContact OD1-N 2.86Å; Q1034-F1036 PolarHBondContact O-N 2.87Å; F1036-S1038 VanDerWaalsContact C-N 3.26Å; F1036-S1038 PolarHBondContact O-N 3.05Å; F1036-H1039 PolarHBondContact O-N 3Å; F1036-F1040 AromaticContact CD1-CE2 3.88Å; F1036-F1040 HydrophobicContact CD1-CE2 3.88Å; F1036-F1040 HydrophobicContact CD2-CE2 4.23Å; F1036-F1040 AromaticContact CE1-CE2 3.52Å; F1036-F1040 HydrophobicContact CE1-CE2 3.52Å; F1036-F1040 HydrophobicContact CE1-CZ 4.11Å; F1036-F1040 AromaticContact CE2-CE2 3.87Å; F1036-F1040 HydrophobicContact CE2-CE2 3.87Å; F1036-F1040 AromaticContact CE2-CZ 3.96Å; F1036-F1040 HydrophobicContact CE2-CZ 3.96Å; F1036-F1040 HydrophobicContact CG-CE2 4.25Å; F1036-F1040 AromaticContact CZ-CE2 3.51Å; F1036-F1040 HydrophobicContact CZ-CE2 3.51Å; F1036-F1040 AromaticContact CZ-CZ 3.65Å; F1036-F1040 HydrophobicContact CZ-CZ 3.65Å; F1036-F1040 WeakPolarHBondContact O-CD2 3.43Å; F1036-F1040 WeakPolarHBondContact O-CE2 3.5Å; F1036-M1044 HydrophobicContact CE1-CE 4.43Å |
| 1037 | L | 94.2 | Very high | 93.8 | Very high | 3 Ų | 3 | 30.4 Ų | 30.4 | 2% | 0.016 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.4 | -34.6 | 178.6 | -69.4 | 168.4 | 0 | 0 | 0 | 112.3 | E1032 N1033 Q1034 H1039 F1040 M1044 V1075 | E1032-L1037 HydrophobicContact CB-CD1 4.14Å; E1032-L1037 HydrophobicContact CB-CD2 3.9Å; E1032-L1037 HydrophobicContact CB-CG 3.83Å; E1032-L1037 HydrophobicContact CG-CD2 4.33Å; N1033-L1037 WeakPolarHBondContact O-CG 2.85Å; N1033-L1037 PolarHBondContact O-N 3.22Å; N1033-L1037 VanDerWaalsContact O-N 3.09Å; Q1034-L1037 PolarHBondContact O-N 2.95Å; L1037-H1039 PolarHBondContact O-N 2.94Å; L1037-F1040 PolarHBondContact O-N 2.89Å; L1037-F1040 VanDerWaalsContact O-N 3.12Å; L1037-M1044 HydrophobicContact CD2-SD 3.46Å; L1037-M1044 WeakPolarHBondContact CD2-SD 3.31Å; L1037-V1075 HydrophobicContact CB-CG1 4.2Å; L1037-V1075 WeakPolarHBondContact CB-O 3.44Å |
| 1038 | S | 94 | Very high | 93.6 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.007 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -58.6 | -31.3 | 179 | 81 | 0 | 0 | 0 | 0 | 113.2 | C904 N905 Q1034 K1035 F1036 F1040 K1041 | C904-S1038 WeakPolarHBondContact CB-OG 3.31Å; N905-S1038 PolarHBondContact ND2-O 2.93Å; Q1034-S1038 WeakPolarHBondContact O-CB 3.45Å; Q1034-S1038 PolarHBondContact O-N 3.31Å; K1035-S1038 WeakPolarHBondContact O-CB 3.43Å; K1035-S1038 PolarHBondContact O-N 2.78Å; K1035-S1038 PolarHBondContact O-OG 3.21Å; F1036-S1038 VanDerWaalsContact C-N 3.26Å; F1036-S1038 PolarHBondContact O-N 3.05Å; S1038-F1040 PolarHBondContact O-N 3.14Å; S1038-K1041 PolarHBondContact O-N 2.94Å; S1038-K1041 VanDerWaalsContact O-N 3.1Å |
| 1039 | H | 94.5 | Very high | 93.3 | Very high | 15 Ų | 15 | 31.3 Ų | 31.3 | 7% | 0.069 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -19.7 | -179.4 | -58.5 | -33.9 | 0 | 0 | 0 | 113.3 | N905 M911 Y944 K1035 F1036 L1037 | N905-H1039 WeakPolarHBondContact OD1-CA 3.09Å; N905-H1039 PolarHBondContact OD1-ND1 2.83Å; M911-H1039 HydrophobicContact SD-CB 3.98Å; Y944-H1039 AromaticContact CE1-CE1 3.79Å; Y944-H1039 AromaticContact CE1-NE2 3.8Å; Y944-H1039 AromaticContact CZ-NE2 3.61Å; Y944-H1039 PolarHBondContact OH-CE1 2.83Å; Y944-H1039 PolarHBondContact OH-NE2 3.17Å; K1035-H1039 PolarHBondContact O-CD2 3.31Å; K1035-H1039 PolarHBondContact O-NE2 2.85Å; F1036-H1039 PolarHBondContact O-N 3Å; L1037-H1039 PolarHBondContact O-N 2.94Å |
| 1040 | F | 94.3 | Very high | 93 | Very high | 17 Ų | 17 | 37.5 Ų | 37.5 | 8% | 0.075 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 0.2 | 176.8 | -55.1 | -72.6 | 0 | 0 | 0 | 113.2 | G930 F932 F940 F1036 L1037 S1038 K1042 M1043 M1044 | G930-F1040 VanDerWaalsContact CA-CD1 3.44Å; F932-F1040 HydrophobicContact CE2-CE1 4.09Å; F932-F1040 HydrophobicContact CE2-CE2 4.45Å; F932-F1040 HydrophobicContact CE2-CZ 4.05Å; F932-F1040 HydrophobicContact CZ-CE1 4.02Å; F932-F1040 HydrophobicContact CZ-CE2 4.15Å; F932-F1040 AromaticContact CZ-CZ 3.62Å; F932-F1040 HydrophobicContact CZ-CZ 3.62Å; F940-F1040 HydrophobicContact CD1-CZ 4.35Å; F940-F1040 AromaticContact CE1-CE1 3.97Å; F940-F1040 HydrophobicContact CE1-CE1 3.97Å; F940-F1040 AromaticContact CE1-CZ 3.75Å; F940-F1040 HydrophobicContact CE1-CZ 3.75Å; F940-F1040 HydrophobicContact CZ-CE1 4.33Å; F940-F1040 AromaticContact CZ-CZ 3.95Å; F940-F1040 HydrophobicContact CZ-CZ 3.95Å; F1036-F1040 AromaticContact CD1-CE2 3.88Å; F1036-F1040 HydrophobicContact CD1-CE2 3.88Å; F1036-F1040 HydrophobicContact CD2-CE2 4.23Å; F1036-F1040 AromaticContact CE1-CE2 3.52Å; F1036-F1040 HydrophobicContact CE1-CE2 3.52Å; F1036-F1040 HydrophobicContact CE1-CZ 4.11Å; F1036-F1040 AromaticContact CE2-CE2 3.87Å; F1036-F1040 HydrophobicContact CE2-CE2 3.87Å; F1036-F1040 AromaticContact CE2-CZ 3.96Å; F1036-F1040 HydrophobicContact CE2-CZ 3.96Å; F1036-F1040 HydrophobicContact CG-CE2 4.25Å; F1036-F1040 AromaticContact CZ-CE2 3.51Å; F1036-F1040 HydrophobicContact CZ-CE2 3.51Å; F1036-F1040 AromaticContact CZ-CZ 3.65Å; F1036-F1040 HydrophobicContact CZ-CZ 3.65Å; F1036-F1040 WeakPolarHBondContact O-CD2 3.43Å; F1036-F1040 WeakPolarHBondContact O-CE2 3.5Å; L1037-F1040 PolarHBondContact O-N 2.89Å; L1037-F1040 VanDerWaalsContact O-N 3.12Å; S1038-F1040 PolarHBondContact O-N 3.14Å; F1040-K1042 VanDerWaalsContact C-N 3.28Å; F1040-K1042 PolarHBondContact O-N 2.89Å; F1040-M1043 WeakPolarHBondContact O-CA 3.29Å; F1040-M1043 WeakPolarHBondContact O-CB 3.23Å; F1040-M1043 PolarHBondContact O-N 2.91Å; F1040-M1044 HydrophobicContact CB-CB 4.4Å |
| 1041 | K | 92.6 | Very high | 92.6 | Very high | 133 Ų | 133 | 38.9 Ų | 38.9 | 58% | 0.578 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 46.9 | 50.5 | 175.9 | -57.1 | -176.6 | -179.6 | -176.4 | 0 | 112.4 | I901 S1038 M1043 | I901-K1041 HydrophobicContact CG2-CG 4.22Å; S1038-K1041 PolarHBondContact O-N 2.94Å; S1038-K1041 VanDerWaalsContact O-N 3.1Å; K1041-M1043 PolarHBondContact O-N 2.98Å |
| 1042 | K | 94 | Very high | 91.8 | Very high | 30 Ų | 30 | 38.2 Ų | 38.2 | 13% | 0.13 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.3 | 2.2 | -178.6 | -45.7 | 171.6 | 176.7 | 170.7 | 0 | 115.5 | D898 I901 F1040 A1074 L1128 | D898-K1042 WeakPolarHBondContact OD1-CE 3.45Å; D898-K1042 IonicContact OD1-NZ 3.98Å; D898-K1042 PolarHBondContact OD1-NZ 3.36Å; D898-K1042 IonicContact OD2-NZ 2.69Å; D898-K1042 PolarHBondContact OD2-NZ 2.78Å; I901-K1042 HydrophobicContact CD1-CD 4.34Å; I901-K1042 HydrophobicContact CD1-CG 3.84Å; F1040-K1042 VanDerWaalsContact C-N 3.28Å; F1040-K1042 PolarHBondContact O-N 2.89Å; K1042-A1074 HydrophobicContact CD-CB 4.35Å; K1042-L1128 HydrophobicContact CB-CD1 4.26Å; K1042-L1128 HydrophobicContact CB-CD2 3.81Å; K1042-L1128 HydrophobicContact CD-CD2 4.13Å |
| 1043 | M | 93.8 | Very high | 90.7 | Very high | 28 Ų | 28 | 42.4 Ų | 42.4 | 14% | 0.138 | 20% | 0.197 | C | C | . | . | trans | -105.6 | 47.3 | -176.2 | -55.4 | -173.9 | -166 | 0 | 0 | 114 | F1040 K1041 L1128 E1131 I1132 K1136 | F1040-M1043 WeakPolarHBondContact O-CA 3.29Å; F1040-M1043 WeakPolarHBondContact O-CB 3.23Å; F1040-M1043 PolarHBondContact O-N 2.91Å; K1041-M1043 PolarHBondContact O-N 2.98Å; M1043-L1128 HydrophobicContact CE-CD1 4.48Å; M1043-L1128 HydrophobicContact CG-CD1 4.37Å; M1043-E1131 HydrophobicContact CE-CG 3.82Å; M1043-E1131 VanDerWaalsContact CE-OE1 3.31Å; M1043-E1131 WeakPolarHBondContact CE-OE1 3.41Å; M1043-E1131 WeakPolarHBondContact CE-OE2 3.42Å; M1043-I1132 HydrophobicContact CB-CG1 4.34Å; M1043-I1132 HydrophobicContact CG-CG1 3.98Å; M1043-K1136 HydrophobicContact CB-CG 4.41Å | ||
| 1044 | M | 95.7 | Very high | 88.8 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 121.4 | 172.3 | -171 | -179.9 | -170.9 | 0 | 0 | 110.6 | F932 W993 E1032 F1036 L1037 F1040 I1046 R1078 T1079 | F932-M1044 HydrophobicContact CD1-CE 4.33Å; F932-M1044 HydrophobicContact CD2-CE 3.65Å; F932-M1044 HydrophobicContact CD2-CG 3.89Å; F932-M1044 HydrophobicContact CE1-CE 4.25Å; F932-M1044 HydrophobicContact CE2-CE 3.6Å; F932-M1044 HydrophobicContact CE2-CG 3.82Å; F932-M1044 HydrophobicContact CE2-SD 4.42Å; F932-M1044 HydrophobicContact CG-CE 4.04Å; F932-M1044 HydrophobicContact CZ-CE 3.9Å; W993-M1044 HydrophobicContact CZ2-CE 4.47Å; E1032-M1044 HydrophobicContact CG-CE 4.2Å; F1036-M1044 HydrophobicContact CE1-CE 4.43Å; L1037-M1044 HydrophobicContact CD2-SD 3.46Å; L1037-M1044 WeakPolarHBondContact CD2-SD 3.31Å; F1040-M1044 HydrophobicContact CB-CB 4.4Å; M1044-I1046 HydrophobicContact CE-CD1 4.22Å; M1044-I1046 HydrophobicContact CE-CG1 4.44Å; M1044-R1078 HydrophobicContact SD-CG 4.29Å; M1044-T1079 PolarHBondContact O-N 2.78Å |
| 1045 | V | 96.3 | Very high | 86.8 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 131.3 | 179.5 | -177.2 | 0 | 0 | 0 | 0 | 110.1 | G930 F932 Y1066 T1079 I1132 K1136 L1137 | G930-V1045 PolarHBondContact O-N 3.4Å; F932-V1045 PolarHBondContact N-O 3.49Å; V1045-Y1066 HydrophobicContact CG1-CD1 4.5Å; V1045-Y1066 HydrophobicContact CG1-CE1 4.49Å; V1045-T1079 CarbonylContact C-O 3.59Å; V1045-T1079 VanDerWaalsContact CA-O 3.3Å; V1045-T1079 WeakPolarHBondContact CA-O 3.38Å; V1045-T1079 HydrophobicContact CG1-CG2 4.49Å; V1045-I1132 HydrophobicContact CG2-CG2 4.03Å; V1045-K1136 HydrophobicContact CG2-CB 3.72Å; V1045-K1136 HydrophobicContact CG2-CG 4.18Å; V1045-L1137 HydrophobicContact CG1-CD2 3.72Å |
| 1046 | I | 95.5 | Very high | 84.8 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 111.9 | 179.9 | -48.8 | 180 | 0 | 0 | 0 | 109.8 | F932 T934 W993 Q1029 M1044 T1079 I1080 Q1081 | F932-I1046 HydrophobicContact CB-CG1 4.29Å; F932-I1046 CarbonylContact O-C 3.58Å; F932-I1046 WeakPolarHBondContact O-CA 3.33Å; T934-I1046 HydrophobicContact CG2-CG2 4.01Å; W993-I1046 HydrophobicContact CH2-CG2 4.4Å; W993-I1046 HydrophobicContact CZ2-CD1 4.25Å; Q1029-I1046 HydrophobicContact CG-CD1 4.13Å; M1044-I1046 HydrophobicContact CE-CD1 4.22Å; M1044-I1046 HydrophobicContact CE-CG1 4.44Å; I1046-T1079 PolarHBondContact N-O 3.19Å; I1046-I1080 HydrophobicContact CB-CG1 4.32Å; I1046-I1080 HydrophobicContact CB-CG2 4.46Å; I1046-I1080 HydrophobicContact CD1-CD1 4.3Å; I1046-I1080 HydrophobicContact CD1-CG1 4.16Å; I1046-I1080 HydrophobicContact CG1-CG1 4.42Å; I1046-Q1081 PolarHBondContact O-N 2.89Å |
| 1047 | H | 93.5 | Very high | 82.4 | Confident | 13 Ų | 13 | 55.1 Ų | 55.1 | 6% | 0.06 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 145.5 | 173.7 | -64.6 | -87.3 | 0 | 0 | 0 | 111.3 | I931 F932 Y933 T934 Y1066 | I931-H1047 WeakPolarHBondContact CG2-CD2 3.18Å; I931-H1047 WeakPolarHBondContact CG2-NE2 3.37Å; F932-H1047 PolarHBondContact O-N 2.96Å; Y933-H1047 CarbonylContact C-O 3.56Å; Y933-H1047 WeakPolarHBondContact CA-O 3.3Å; Y933-H1047 HydrophobicContact CD1-CB 3.61Å; Y933-H1047 HydrophobicContact CE1-CB 3.59Å; Y933-H1047 HydrophobicContact CG-CB 4.17Å; T934-H1047 WeakPolarHBondContact CG2-O 3.46Å; T934-H1047 PolarHBondContact N-O 3.12Å; H1047-Y1066 AromaticContact CE1-CE1 3.6Å; H1047-Y1066 AromaticContact CE1-CZ 3.69Å; H1047-Y1066 PolarHBondContact CE1-OH 3.43Å; H1047-Y1066 AromaticContact ND1-CE1 3.45Å; H1047-Y1066 WeakPolarHBondContact ND1-CE1 3.34Å; H1047-Y1066 AromaticContact ND1-CZ 3.59Å; H1047-Y1066 PolarHBondContact ND1-OH 3.01Å |
| 1048 | R | 89.8 | Confident | 80.4 | Confident | 91 Ų | 91 | 58.9 Ų | 58.9 | 34% | 0.343 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -74.7 | 141.3 | 168.2 | -72.6 | -177.4 | -177.8 | -162.7 | -3.1 | 110.3 | Q1081 E1083 | R1048-Q1081 HydrophobicContact CG-CB 4.21Å; R1048-Q1081 HydrophobicContact CG-CG 4.45Å; R1048-Q1081 PolarHBondContact NE-O 2.81Å; R1048-Q1081 VanDerWaalsContact NE-O 3.08Å; R1048-E1083 IonicContact NH1-OE1 3.37Å; R1048-E1083 PolarHBondContact NH1-OE1 3.06Å |
| 1049 | G | 86.5 | Confident | 78.5 | Confident | 28 Ų | 28 | 61.7 Ų | 61.7 | 29% | 0.289 | 34% | 0.338 | S | S | . | . | S | Bend | trans | 96 | -157.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y933 T934 C935 | Y933-G1049 WeakPolarHBondContact CB-O 3.42Å; T934-G1049 PolarHBondContact N-O 3.42Å; T934-G1049 PolarHBondContact OG1-N 3.32Å; C935-G1049 VanDerWaalsContact CB-O 3.31Å; C935-G1049 WeakPolarHBondContact CB-O 3.37Å; C935-G1049 PolarHBondContact N-O 3.02Å |
| 1050 | R | 87.3 | Confident | 76.7 | Confident | 135 Ų | 135 | 67 Ų | 67 | 51% | 0.509 | 36% | 0.363 | S | S | . | . | trans | -105.7 | 149.7 | 179.2 | -70.1 | -178.7 | -171.3 | -95.2 | 3.6 | 111.1 | Y933 C935 D936 L1053 | Y933-R1050 VanDerWaalsContact CD1-C 3.46Å; C935-R1050 HydrophobicContact CB-CB 4.27Å; C935-R1050 HydrophobicContact CB-CG 3.27Å; D936-R1050 IonicContact OD1-NH1 3.03Å; R1050-L1053 HydrophobicContact CB-CB 4.37Å; R1050-L1053 HydrophobicContact CB-CD1 3.58Å; R1050-L1053 HydrophobicContact CG-CD1 4.07Å | ||
| 1051 | R | 86 | Confident | 75.5 | Confident | 35 Ų | 35 | 72.1 Ų | 72.1 | 13% | 0.132 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | 145.5 | 167.4 | -173.3 | 177.1 | 175.3 | -91.1 | -8.6 | 110.6 | E917 E928 Y933 D936 L1053 | E917-R1051 IonicContact OE1-NH1 2.76Å; E917-R1051 IonicContact OE2-NH1 3.07Å; E917-R1051 PolarHBondContact OE2-NH1 3.25Å; E928-R1051 IonicContact OE1-CZ 3.72Å; E928-R1051 IonicContact OE1-NE 3.02Å; E928-R1051 IonicContact OE1-NH2 2.86Å; E928-R1051 PolarHBondContact OE1-NH2 2.9Å; E928-R1051 IonicContact OE2-CZ 3.4Å; E928-R1051 IonicContact OE2-NE 2.92Å; E928-R1051 PolarHBondContact OE2-NE 3.33Å; E928-R1051 IonicContact OE2-NH2 3.2Å; E928-R1051 PolarHBondContact OE2-NH2 3.33Å; Y933-R1051 HydrophobicContact CD2-CB 3.94Å; Y933-R1051 HydrophobicContact CD2-CG 4.41Å; Y933-R1051 HydrophobicContact CE2-CB 4.11Å; Y933-R1051 HydrophobicContact CE2-CG 4.19Å; Y933-R1051 HydrophobicContact CG-CB 4.17Å; D936-R1051 WeakPolarHBondContact OD2-CB 3.39Å; D936-R1051 PolarHBondContact OD2-N 3.27Å; R1051-L1053 PolarHBondContact O-N 3.19Å |
| 1052 | N | 76.4 | Confident | 75 | Confident | 64 Ų | 64 | 74.7 Ų | 74.7 | 34% | 0.342 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.9 | -7.4 | 179.4 | -56.7 | -24.6 | 0 | 0 | 0 | 117.2 | E917 M1055 | E917-N1052 PolarHBondContact OE1-ND2 2.87Å; N1052-M1055 PolarHBondContact O-N 3.29Å |
| 1053 | L | 70.1 | Confident | 74.8 | Confident | 98 Ų | 98 | 75.1 Ų | 75.1 | 51% | 0.513 | 39% | 0.394 | S | S | . | . | G | 310 helix | trans | -76.9 | -20.3 | -179 | -113.8 | 138.5 | 0 | 0 | 0 | 113.8 | R1050 R1051 M1055 F1056 | R1050-L1053 HydrophobicContact CB-CB 4.37Å; R1050-L1053 HydrophobicContact CB-CD1 3.58Å; R1050-L1053 HydrophobicContact CG-CD1 4.07Å; R1051-L1053 PolarHBondContact O-N 3.19Å; L1053-M1055 PolarHBondContact O-N 2.93Å; L1053-F1056 HydrophobicContact CD2-CE2 4.04Å; L1053-F1056 WeakPolarHBondContact O-CD2 3.18Å |
| 1054 | S | 54 | Low | 74.7 | Confident | 69 Ų | 69 | 76 Ų | 76 | 48% | 0.483 | 40% | 0.397 | S | S | . | . | G | 310 helix | trans | -80.1 | 1.1 | 175.1 | 78.6 | 0 | 0 | 0 | 0 | 114.3 | ||
| 1055 | M | 47.4 | Very low | 74.7 | Confident | 121 Ų | 121 | 76 Ų | 76 | 60% | 0.596 | 40% | 0.398 | S | S | * | . | G | 310 helix | trans | -101.1 | 17.3 | -174 | -68.5 | -159.6 | -176.8 | 0 | 0 | 115.4 | N1052 L1053 P1057 | N1052-M1055 PolarHBondContact O-N 3.29Å; L1053-M1055 PolarHBondContact O-N 2.93Å; M1055-P1057 VanDerWaalsContact O-CD 3.28Å; M1055-P1057 WeakPolarHBondContact O-CD 3.4Å |
| 1056 | F | 49.2 | Very low | 74.7 | Confident | 140 Ų | 140 | 76 Ų | 76 | 61% | 0.614 | 40% | 0.398 | S | S | * | . | trans | -67 | 121.6 | 169.7 | -71.7 | -74.6 | 0 | 0 | 0 | 110.6 | L1053 G1058 A1059 | L1053-F1056 HydrophobicContact CD2-CE2 4.04Å; L1053-F1056 WeakPolarHBondContact O-CD2 3.18Å; F1056-G1058 PolarHBondContact O-N 3.46Å; F1056-G1058 VanDerWaalsContact O-N 3.08Å; F1056-A1059 HydrophobicContact CB-CB 4.36Å; F1056-A1059 PolarHBondContact O-N 3.18Å | ||
| 1057 | P | 46.4 | Very low | 74.8 | Confident | 136 Ų | 136 | 76.7 Ų | 76.7 | 88% | 0.883 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | 113.2 | 173.1 | -15.2 | 29.1 | 0 | 0 | 0 | 109 | M1055 | M1055-P1057 VanDerWaalsContact O-CD 3.28Å; M1055-P1057 WeakPolarHBondContact O-CD 3.4Å |
| 1058 | G | 50.9 | Low | 74.9 | Confident | 82 Ų | 82 | 76.4 Ų | 76.4 | 85% | 0.845 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 110.9 | -7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | F1056 Q1060 | F1056-G1058 PolarHBondContact O-N 3.46Å; F1056-G1058 VanDerWaalsContact O-N 3.08Å; G1058-Q1060 PolarHBondContact O-N 3.45Å |
| 1059 | A | 54.2 | Low | 75.1 | Confident | 60 Ų | 60 | 72.5 Ų | 72.5 | 50% | 0.496 | 39% | 0.385 | S | S | . | . | trans | -68.2 | 126 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | F1056 R1061 | F1056-A1059 HydrophobicContact CB-CB 4.36Å; F1056-A1059 PolarHBondContact O-N 3.18Å; A1059-R1061 PolarHBondContact O-N 2.82Å; A1059-R1061 VanDerWaalsContact O-N 3.09Å | ||
| 1060 | Q | 57.4 | Low | 75.3 | Confident | 127 Ų | 127 | 72.8 Ų | 72.8 | 59% | 0.593 | 39% | 0.385 | S | S | * | . | trans | -60.3 | 114.8 | 175.2 | -174.4 | 148.7 | 2.3 | 0 | 0 | 109.3 | G1058 W1062 | G1058-Q1060 PolarHBondContact O-N 3.45Å; Q1060-W1062 VanDerWaalsContact O-CD1 3.23Å; Q1060-W1062 PolarHBondContact O-NE1 3.24Å | ||
| 1061 | R | 68.2 | Low | 75.4 | Confident | 123 Ų | 123 | 66.8 Ų | 66.8 | 46% | 0.464 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -80.1 | 123.6 | -178.9 | -70.2 | -175.9 | 168.3 | -179.5 | -3.8 | 108.8 | A1059 P1100 | A1059-R1061 PolarHBondContact O-N 2.82Å; A1059-R1061 VanDerWaalsContact O-N 3.09Å; R1061-P1100 HydrophobicContact CB-CB 3.66Å; R1061-P1100 HydrophobicContact CB-CG 3.61Å; R1061-P1100 WeakPolarHBondContact O-CG 3.39Å |
| 1062 | W | 82.4 | Confident | 75.4 | Confident | 187 Ų | 187 | 65.9 Ų | 65.9 | 71% | 0.708 | 36% | 0.364 | S | S | * | . | P | Polyproline II helix | trans | -92.2 | 156.9 | 176 | -63 | 85.8 | 0 | 0 | 0 | 110.2 | Q1060 | Q1060-W1062 VanDerWaalsContact O-CD1 3.23Å; Q1060-W1062 PolarHBondContact O-NE1 3.24Å |
| 1063 | P | 89.9 | Confident | 76 | Confident | 40 Ų | 40 | 63.2 Ų | 63.2 | 26% | 0.26 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -56.1 | 139.7 | 169.8 | -23.2 | 33.7 | 0 | 0 | 0 | 111.2 | C1084 L1097 K1098 A1159 | P1063-C1084 VanDerWaalsContact C-SG 3.58Å; P1063-C1084 PolarHBondContact O-SG 3.39Å; P1063-L1097 HydrophobicContact CB-CD1 4.16Å; P1063-K1098 CarbonylContact C-O 3.54Å; P1063-K1098 VanDerWaalsContact CA-O 3.22Å; P1063-K1098 WeakPolarHBondContact CA-O 3.44Å; P1063-A1159 HydrophobicContact CB-CB 4.08Å; P1063-A1159 HydrophobicContact CG-CB 3.99Å |
| 1064 | E | 92.2 | Very high | 77 | Confident | 45 Ų | 45 | 59 Ų | 59 | 21% | 0.21 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 127.3 | 176.6 | -59.5 | 169.8 | 177.4 | 0 | 0 | 109.2 | Y1066 L1097 K1098 | E1064-Y1066 HydrophobicContact CB-CE2 3.62Å; E1064-Y1066 PolarHBondContact OE2-OH 3.14Å; E1064-L1097 WeakPolarHBondContact O-CA 3.41Å; E1064-K1098 HydrophobicContact CB-CB 4.25Å; E1064-K1098 PolarHBondContact N-O 3.46Å; E1064-K1098 PolarHBondContact O-N 3.37Å; E1064-K1098 IonicContact OE2-NZ 3.35Å |
| 1065 | C | 95.1 | Very high | 78.8 | Confident | 2 Ų | 2 | 55.8 Ų | 55.8 | 1% | 0.014 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 139.5 | 178 | -172.2 | 0 | 0 | 0 | 0 | 110.9 | Q1081 I1082 C1084 F1096 L1097 M1160 | C1065-Q1081 CarbonylContact O-C 3.53Å; C1065-Q1081 WeakPolarHBondContact O-CA 3.45Å; C1065-Q1081 WeakPolarHBondContact O-CG 3.24Å; C1065-I1082 HydrophobicContact CB-CG1 4.16Å; C1065-I1082 PolarHBondContact O-N 3.24Å; C1065-C1084 HydrophobicContact CB-CB 4.48Å; C1065-C1084 VanDerWaalsContact CB-SG 3.55Å; C1065-C1084 PolarHBondContact N-SG 2.85Å; C1065-F1096 CarbonylContact C-O 3.52Å; C1065-F1096 WeakPolarHBondContact CA-O 3.31Å; C1065-L1097 HydrophobicContact CB-CD1 4.24Å; C1065-M1160 HydrophobicContact CB-SD 4.21Å |
| 1066 | Y | 96.8 | Very high | 81 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 0% | 0.004 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 149.8 | 178 | -53.7 | -104.7 | 0 | 0 | 0 | 110.3 | V1045 H1047 E1064 T1079 I1080 Q1081 Y1095 F1096 L1137 | V1045-Y1066 HydrophobicContact CG1-CD1 4.5Å; V1045-Y1066 HydrophobicContact CG1-CE1 4.49Å; H1047-Y1066 AromaticContact CE1-CE1 3.6Å; H1047-Y1066 AromaticContact CE1-CZ 3.69Å; H1047-Y1066 PolarHBondContact CE1-OH 3.43Å; H1047-Y1066 AromaticContact ND1-CE1 3.45Å; H1047-Y1066 WeakPolarHBondContact ND1-CE1 3.34Å; H1047-Y1066 AromaticContact ND1-CZ 3.59Å; H1047-Y1066 PolarHBondContact ND1-OH 3.01Å; E1064-Y1066 HydrophobicContact CB-CE2 3.62Å; E1064-Y1066 PolarHBondContact OE2-OH 3.14Å; Y1066-T1079 HydrophobicContact CD1-CG2 4.43Å; Y1066-T1079 HydrophobicContact CG-CG2 4.43Å; Y1066-I1080 CarbonylContact C-O 3.53Å; Y1066-I1080 WeakPolarHBondContact CA-O 3.49Å; Y1066-Q1081 HydrophobicContact CD1-CB 3.66Å; Y1066-Q1081 HydrophobicContact CD1-CG 4.15Å; Y1066-Q1081 HydrophobicContact CE1-CB 3.55Å; Y1066-Q1081 HydrophobicContact CE1-CG 3.81Å; Y1066-Q1081 HydrophobicContact CG-CB 4.48Å; Y1066-Y1095 CarbonylContact O-C 3.58Å; Y1066-Y1095 VanDerWaalsContact O-CA 3.23Å; Y1066-Y1095 WeakPolarHBondContact O-CA 3.38Å; Y1066-F1096 HydrophobicContact CD2-CB 4.21Å; Y1066-F1096 PolarHBondContact N-O 2.79Å; Y1066-F1096 PolarHBondContact O-N 2.95Å; Y1066-L1137 HydrophobicContact CD1-CD2 4.13Å; Y1066-L1137 HydrophobicContact CD2-CD1 4.29Å; Y1066-L1137 HydrophobicContact CD2-CD2 4.33Å; Y1066-L1137 HydrophobicContact CE1-CD2 3.95Å; Y1066-L1137 HydrophobicContact CE2-CD2 4.17Å; Y1066-L1137 HydrophobicContact CG-CD1 4.39Å; Y1066-L1137 HydrophobicContact CG-CD2 4.34Å |
| 1067 | H | 96.6 | Very high | 83.1 | Confident | 14 Ų | 14 | 43.9 Ų | 43.9 | 7% | 0.065 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 117.2 | -179.1 | 174.6 | -160.7 | 0 | 0 | 0 | 110.3 | T1079 I1080 I1082 F1093 Y1095 H1271 | H1067-T1079 WeakPolarHBondContact O-CA 3.38Å; H1067-I1080 PolarHBondContact N-O 3.22Å; H1067-I1080 PolarHBondContact O-N 3.36Å; H1067-I1080 VanDerWaalsContact O-N 3.08Å; H1067-I1082 HydrophobicContact CB-CD1 3.97Å; H1067-I1082 HydrophobicContact CB-CG1 4.35Å; H1067-I1082 HydrophobicContact CB-CG2 4.24Å; H1067-F1093 WeakPolarHBondContact NE2-CB 3.36Å; H1067-F1093 AromaticContact NE2-CD2 3.51Å; H1067-F1093 AromaticContact NE2-CG 3.37Å; H1067-F1093 WeakPolarHBondContact NE2-CG 3.48Å; H1067-Y1095 HydrophobicContact CB-CD1 3.9Å; H1067-Y1095 HydrophobicContact CB-CE1 3.76Å; H1067-Y1095 AromaticContact CD2-CE1 3.68Å; H1067-Y1095 AromaticContact CD2-CZ 3.66Å; H1067-Y1095 AromaticContact CG-CE1 3.6Å; H1067-Y1095 AromaticContact NE2-CZ 3.87Å; H1067-H1271 AromaticContact CE1-CD2 3.9Å; H1067-H1271 AromaticContact CG-NE2 3.99Å; H1067-H1271 AromaticContact ND1-CD2 3.52Å; H1067-H1271 AromaticContact ND1-NE2 3.88Å; H1067-H1271 PolarHBondContact O-NE2 3.35Å |
| 1068 | L | 96.6 | Very high | 85.5 | Confident | 6 Ų | 6 | 37.5 Ų | 37.5 | 3% | 0.031 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 123.1 | 172.8 | 171.8 | 65.8 | 0 | 0 | 0 | 110.1 | R1078 T1079 C1094 F1096 T1125 A1129 I1132 | L1068-R1078 WeakPolarHBondContact CA-O 3.38Å; L1068-T1079 WeakPolarHBondContact CD1-OG1 3.49Å; L1068-C1094 HydrophobicContact CB-CB 4.27Å; L1068-C1094 HydrophobicContact CD2-CB 4.29Å; L1068-C1094 PolarHBondContact N-O 2.66Å; L1068-F1096 HydrophobicContact CB-CE2 3.74Å; L1068-F1096 HydrophobicContact CB-CZ 4.25Å; L1068-F1096 HydrophobicContact CD2-CZ 4.48Å; L1068-T1125 HydrophobicContact CD2-CG2 4.01Å; L1068-A1129 HydrophobicContact CD2-CB 3.97Å; L1068-I1132 HydrophobicContact CD1-CD1 4.05Å; L1068-I1132 HydrophobicContact CD2-CD1 4.28Å |
| 1069 | R | 94.2 | Very high | 87.7 | Confident | 9 Ų | 9 | 33.6 Ų | 33.6 | 3% | 0.034 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 142.7 | 176.7 | 179.9 | 170.5 | 163.5 | -177.7 | -9.3 | 111.2 | N1071 R1078 F1093 M1173 K1268 C1269 | R1069-N1071 VanDerWaalsContact CZ-OD1 3.27Å; R1069-N1071 PolarHBondContact NE-OD1 2.95Å; R1069-N1071 PolarHBondContact NH2-OD1 3.28Å; R1069-R1078 PolarHBondContact N-O 3.24Å; R1069-R1078 PolarHBondContact O-N 2.86Å; R1069-F1093 HydrophobicContact CB-CD1 4.42Å; R1069-F1093 HydrophobicContact CG-CD1 4.2Å; R1069-F1093 HydrophobicContact CG-CE1 3.93Å; R1069-M1173 HydrophobicContact CG-CE 4.48Å; R1069-M1173 PolarHBondContact NH2-SD 2.93Å; R1069-K1268 PolarHBondContact NH1-O 3.29Å; R1069-C1269 PolarHBondContact NH2-O 3.47Å |
| 1070 | A | 91 | Very high | 89.7 | Confident | 34 Ų | 34 | 31 Ų | 31 | 28% | 0.281 | 15% | 0.15 | S | C | . | . | trans | -118.5 | 133.2 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | S1073 S1077 M1173 | A1070-S1073 WeakPolarHBondContact CB-O 3.49Å; A1070-S1077 WeakPolarHBondContact CB-OG 3.26Å; A1070-M1173 WeakPolarHBondContact O-CE 3.43Å | ||
| 1071 | N | 88.8 | Confident | 91.5 | Very high | 9 Ų | 9 | 26.3 Ų | 26.3 | 5% | 0.048 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -106.2 | 119.7 | 172.8 | -58.6 | -44.7 | 0 | 0 | 0 | 109.7 | R1069 S1073 M1173 I1195 D1196 | R1069-N1071 VanDerWaalsContact CZ-OD1 3.27Å; R1069-N1071 PolarHBondContact NE-OD1 2.95Å; R1069-N1071 PolarHBondContact NH2-OD1 3.28Å; N1071-S1073 PolarHBondContact O-N 3.19Å; N1071-M1173 HydrophobicContact CB-CE 4.46Å; N1071-M1173 WeakPolarHBondContact OD1-CE 3.49Å; N1071-I1195 HydrophobicContact CB-CG2 4.46Å; N1071-D1196 HydrophobicContact CB-CB 4.14Å; N1071-D1196 WeakPolarHBondContact CB-OD1 3.41Å; N1071-D1196 PolarHBondContact ND2-OD1 2.57Å |
| 1072 | G | 85.9 | Confident | 92.7 | Very high | 16 Ų | 16 | 21.1 Ų | 21.1 | 17% | 0.165 | 11% | 0.109 | C | C | . | . | S | Bend | trans | 80.1 | -46.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | M891 V892 | M891-G1072 WeakPolarHBondContact CA-O 3.29Å; V892-G1072 PolarHBondContact N-O 3Å |
| 1073 | S | 89.8 | Confident | 93.1 | Very high | 8 Ų | 8 | 17.3 Ų | 17.3 | 6% | 0.056 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -137.3 | 145.6 | 176.7 | 176.2 | 0 | 0 | 0 | 0 | 110.6 | A1070 N1071 V1075 C1076 | A1070-S1073 WeakPolarHBondContact CB-O 3.49Å; N1071-S1073 PolarHBondContact O-N 3.19Å; S1073-V1075 PolarHBondContact O-N 3.1Å; S1073-V1075 PolarHBondContact OG-N 3.13Å; S1073-C1076 WeakPolarHBondContact O-CB 3.36Å; S1073-C1076 PolarHBondContact O-N 3.45Å |
| 1074 | A | 90.6 | Very high | 93.2 | Very high | 11 Ų | 11 | 17.4 Ų | 17.4 | 9% | 0.091 | 10% | 0.1 | C | C | . | . | G | 310 helix | trans | -60.8 | -22.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | A897 K1042 C1076 S1077 | A897-A1074 HydrophobicContact CB-CB 3.84Å; K1042-A1074 HydrophobicContact CD-CB 4.35Å; A1074-C1076 PolarHBondContact O-N 3.24Å; A1074-S1077 VanDerWaalsContact O-CB 3.26Å; A1074-S1077 WeakPolarHBondContact O-CB 3.45Å; A1074-S1077 PolarHBondContact O-N 3.1Å; A1074-S1077 VanDerWaalsContact O-N 3.12Å; A1074-S1077 PolarHBondContact O-OG 2.99Å |
| 1075 | V | 91.5 | Very high | 93.1 | Very high | 1 Ų | 1 | 17.2 Ų | 17.2 | 1% | 0.006 | 10% | 0.1 | C | C | . | . | G | 310 helix | trans | -61.9 | -29.2 | 173.5 | -175.3 | 0 | 0 | 0 | 0 | 111.7 | A897 M900 I901 Q1034 L1037 S1073 S1077 | A897-V1075 HydrophobicContact CB-CG2 3.88Å; A897-V1075 WeakPolarHBondContact O-CG2 3.28Å; M900-V1075 HydrophobicContact CE-CB 3.68Å; M900-V1075 HydrophobicContact CE-CG1 3.94Å; M900-V1075 HydrophobicContact CE-CG2 3.27Å; I901-V1075 HydrophobicContact CD1-CG2 3.86Å; I901-V1075 HydrophobicContact CG1-CB 4.41Å; I901-V1075 HydrophobicContact CG1-CG1 4.24Å; I901-V1075 HydrophobicContact CG1-CG2 3.61Å; Q1034-V1075 HydrophobicContact CB-CG1 4.44Å; L1037-V1075 HydrophobicContact CB-CG1 4.2Å; L1037-V1075 WeakPolarHBondContact CB-O 3.44Å; S1073-V1075 PolarHBondContact O-N 3.1Å; S1073-V1075 PolarHBondContact OG-N 3.13Å; V1075-S1077 PolarHBondContact O-N 3.35Å |
| 1076 | C | 92.7 | Very high | 93 | Very high | 2 Ų | 2 | 17.1 Ų | 17.1 | 1% | 0.014 | 10% | 0.1 | C | C | . | . | G | 310 helix | trans | -79.4 | 10.9 | 177 | -49.4 | 0 | 0 | 0 | 0 | 114.4 | Q1034 S1073 A1074 R1078 D1196 | Q1034-C1076 PolarHBondContact NE2-SG 2.9Å; Q1034-C1076 PolarHBondContact OE1-SG 3.31Å; S1073-C1076 WeakPolarHBondContact O-CB 3.36Å; S1073-C1076 PolarHBondContact O-N 3.45Å; A1074-C1076 PolarHBondContact O-N 3.24Å; C1076-R1078 PolarHBondContact O-N 3.2Å; C1076-R1078 PolarHBondContact O-NH1 3Å; C1076-D1196 HydrophobicContact CB-CB 4.46Å |
| 1077 | S | 94.5 | Very high | 92.8 | Very high | 9 Ų | 9 | 18.6 Ų | 18.6 | 6% | 0.063 | 11% | 0.112 | C | C | . | . | trans | -61.8 | 122.3 | -177.7 | -66.9 | 0 | 0 | 0 | 0 | 111.2 | A1070 A1074 V1075 | A1070-S1077 WeakPolarHBondContact CB-OG 3.26Å; A1074-S1077 VanDerWaalsContact O-CB 3.26Å; A1074-S1077 WeakPolarHBondContact O-CB 3.45Å; A1074-S1077 PolarHBondContact O-N 3.1Å; A1074-S1077 VanDerWaalsContact O-N 3.12Å; A1074-S1077 PolarHBondContact O-OG 2.99Å; V1075-S1077 PolarHBondContact O-N 3.35Å | ||
| 1078 | R | 96.2 | Very high | 92.6 | Very high | 2 Ų | 2 | 21.2 Ų | 21.2 | 1% | 0.008 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 141.8 | 174.4 | -63.2 | 178.7 | -168.9 | 84.4 | -13.8 | 109.9 | E1032 M1044 L1068 R1069 C1076 I1080 D1196 H1271 | E1032-R1078 IonicContact OE2-CZ 3.33Å; E1032-R1078 VanDerWaalsContact OE2-CZ 3.23Å; E1032-R1078 IonicContact OE2-NE 3.5Å; E1032-R1078 PolarHBondContact OE2-NE 3.4Å; E1032-R1078 IonicContact OE2-NH2 3.79Å; E1032-R1078 PolarHBondContact OE2-NH2 2.83Å; M1044-R1078 HydrophobicContact SD-CG 4.29Å; L1068-R1078 WeakPolarHBondContact CA-O 3.38Å; R1069-R1078 PolarHBondContact N-O 3.24Å; R1069-R1078 PolarHBondContact O-N 2.86Å; C1076-R1078 PolarHBondContact O-N 3.2Å; C1076-R1078 PolarHBondContact O-NH1 3Å; R1078-I1080 HydrophobicContact CB-CD1 4.25Å; R1078-I1080 HydrophobicContact CB-CG1 4.08Å; R1078-D1196 IonicContact CZ-OD2 2.6Å; R1078-D1196 VanDerWaalsContact CZ-OD2 3.25Å; R1078-D1196 IonicContact NH1-OD1 2.8Å; R1078-D1196 PolarHBondContact NH1-OD1 3.16Å; R1078-D1196 IonicContact NH1-OD2 2.65Å; R1078-D1196 PolarHBondContact NH1-OD2 3.43Å; R1078-D1196 IonicContact NH2-OD2 2.64Å; R1078-D1196 PolarHBondContact NH2-OD2 2.93Å; R1078-H1271 PolarHBondContact O-CE1 3.43Å |
| 1079 | T | 97.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 108.4 | 169.8 | -60.3 | 0 | 0 | 0 | 0 | 108.2 | M1044 V1045 I1046 Y1066 H1067 L1068 F1096 I1132 | M1044-T1079 PolarHBondContact O-N 2.78Å; V1045-T1079 CarbonylContact C-O 3.59Å; V1045-T1079 VanDerWaalsContact CA-O 3.3Å; V1045-T1079 WeakPolarHBondContact CA-O 3.38Å; V1045-T1079 HydrophobicContact CG1-CG2 4.49Å; I1046-T1079 PolarHBondContact N-O 3.19Å; Y1066-T1079 HydrophobicContact CD1-CG2 4.43Å; Y1066-T1079 HydrophobicContact CG-CG2 4.43Å; H1067-T1079 WeakPolarHBondContact O-CA 3.38Å; L1068-T1079 WeakPolarHBondContact CD1-OG1 3.49Å; T1079-F1096 HydrophobicContact CG2-CD2 3.84Å; T1079-F1096 HydrophobicContact CG2-CE2 3.56Å; T1079-F1096 HydrophobicContact CG2-CZ 4.34Å; T1079-I1132 HydrophobicContact CG2-CG2 4.47Å |
| 1080 | I | 95.9 | Very high | 92.5 | Very high | 6 Ų | 6 | 21 Ų | 21 | 3% | 0.031 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 135.1 | -172.6 | -55 | -179.6 | 0 | 0 | 0 | 110 | Q1030 I1046 Y1066 H1067 R1078 I1082 H1271 A1272 | Q1030-I1080 HydrophobicContact CG-CD1 3.79Å; I1046-I1080 HydrophobicContact CB-CG1 4.32Å; I1046-I1080 HydrophobicContact CB-CG2 4.46Å; I1046-I1080 HydrophobicContact CD1-CD1 4.3Å; I1046-I1080 HydrophobicContact CD1-CG1 4.16Å; I1046-I1080 HydrophobicContact CG1-CG1 4.42Å; Y1066-I1080 CarbonylContact C-O 3.53Å; Y1066-I1080 WeakPolarHBondContact CA-O 3.49Å; H1067-I1080 PolarHBondContact N-O 3.22Å; H1067-I1080 PolarHBondContact O-N 3.36Å; H1067-I1080 VanDerWaalsContact O-N 3.08Å; R1078-I1080 HydrophobicContact CB-CD1 4.25Å; R1078-I1080 HydrophobicContact CB-CG1 4.08Å; I1080-I1082 PolarHBondContact O-N 3.2Å; I1080-H1271 VanDerWaalsContact CD1-CE1 3.47Å; I1080-H1271 WeakPolarHBondContact CD1-CE1 3.41Å; I1080-H1271 WeakPolarHBondContact CD1-ND1 3.17Å; I1080-A1272 HydrophobicContact CB-CB 3.77Å; I1080-A1272 HydrophobicContact CD1-CB 4.09Å; I1080-A1272 HydrophobicContact CG2-CB 3.43Å; I1080-A1272 VanDerWaalsContact CG2-CB 3.43Å |
| 1081 | Q | 94.9 | Very high | 92.7 | Very high | 28 Ų | 28 | 19.4 Ų | 19.4 | 13% | 0.131 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 124.8 | 174.7 | -167.6 | 178.4 | -0.4 | 0 | 0 | 111.4 | I1046 R1048 C1065 Y1066 | I1046-Q1081 PolarHBondContact O-N 2.89Å; R1048-Q1081 HydrophobicContact CG-CB 4.21Å; R1048-Q1081 HydrophobicContact CG-CG 4.45Å; R1048-Q1081 PolarHBondContact NE-O 2.81Å; R1048-Q1081 VanDerWaalsContact NE-O 3.08Å; C1065-Q1081 CarbonylContact O-C 3.53Å; C1065-Q1081 WeakPolarHBondContact O-CA 3.45Å; C1065-Q1081 WeakPolarHBondContact O-CG 3.24Å; Y1066-Q1081 HydrophobicContact CD1-CB 3.66Å; Y1066-Q1081 HydrophobicContact CD1-CG 4.15Å; Y1066-Q1081 HydrophobicContact CE1-CB 3.55Å; Y1066-Q1081 HydrophobicContact CE1-CG 3.81Å; Y1066-Q1081 HydrophobicContact CG-CB 4.48Å |
| 1082 | I | 93.8 | Very high | 92.9 | Very high | 14 Ų | 14 | 19.8 Ų | 19.8 | 7% | 0.072 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 175.6 | 178.8 | 61.3 | 163.9 | 0 | 0 | 0 | 110.5 | C1065 H1067 I1080 L1088 Y1095 A1272 | C1065-I1082 HydrophobicContact CB-CG1 4.16Å; C1065-I1082 PolarHBondContact O-N 3.24Å; H1067-I1082 HydrophobicContact CB-CD1 3.97Å; H1067-I1082 HydrophobicContact CB-CG1 4.35Å; H1067-I1082 HydrophobicContact CB-CG2 4.24Å; I1080-I1082 PolarHBondContact O-N 3.2Å; I1082-L1088 HydrophobicContact CD1-CB 4.32Å; I1082-L1088 HydrophobicContact CD1-CD1 4.26Å; I1082-Y1095 HydrophobicContact CD1-CD1 3.96Å; I1082-Y1095 HydrophobicContact CD1-CE1 3.83Å; I1082-A1272 HydrophobicContact CG2-CB 3.74Å |
| 1083 | E | 90.6 | Very high | 93.4 | Very high | 107 Ų | 107 | 20.1 Ų | 20.1 | 50% | 0.5 | 12% | 0.116 | S | C | . | . | trans | -72.6 | 144.1 | 175.7 | -68.4 | 172.2 | -167 | 0 | 0 | 110.7 | R1048 D1085 L1088 | R1048-E1083 IonicContact NH1-OE1 3.37Å; R1048-E1083 PolarHBondContact NH1-OE1 3.06Å; E1083-D1085 PolarHBondContact O-N 3.34Å; E1083-L1088 HydrophobicContact CB-CD1 4.33Å | ||
| 1084 | C | 92.1 | Very high | 93.7 | Very high | 41 Ų | 41 | 19.7 Ų | 19.7 | 28% | 0.277 | 11% | 0.113 | S | C | . | . | trans | -73.5 | 80.8 | 171.8 | -62.8 | 0 | 0 | 0 | 0 | 109.5 | P1063 C1065 | P1063-C1084 VanDerWaalsContact C-SG 3.58Å; P1063-C1084 PolarHBondContact O-SG 3.39Å; C1065-C1084 HydrophobicContact CB-CB 4.48Å; C1065-C1084 VanDerWaalsContact CB-SG 3.55Å; C1065-C1084 PolarHBondContact N-SG 2.85Å | ||
| 1085 | D | 91.2 | Very high | 94 | Very high | 41 Ų | 41 | 19.5 Ų | 19.5 | 22% | 0.219 | 11% | 0.11 | C | C | . | . | trans | -133.5 | 116.1 | 172.9 | -173.3 | -3.8 | 0 | 0 | 0 | 109.7 | E1083 A1087 L1088 M1160 K1164 | E1083-D1085 PolarHBondContact O-N 3.34Å; D1085-A1087 PolarHBondContact O-N 2.8Å; D1085-A1087 VanDerWaalsContact O-N 3.09Å; D1085-A1087 WeakPolarHBondContact OD1-CB 3.3Å; D1085-A1087 PolarHBondContact OD1-N 3.16Å; D1085-L1088 HydrophobicContact CB-CD1 4.14Å; D1085-L1088 HydrophobicContact CB-CG 4.16Å; D1085-L1088 WeakPolarHBondContact O-CB 3.34Å; D1085-L1088 PolarHBondContact O-N 3.28Å; D1085-M1160 WeakPolarHBondContact CA-O 3.39Å; D1085-M1160 WeakPolarHBondContact O-CE 2.96Å; D1085-K1164 VanDerWaalsContact CG-NZ 3.3Å; D1085-K1164 WeakPolarHBondContact OD1-CD 3.07Å; D1085-K1164 WeakPolarHBondContact OD1-CE 3.48Å; D1085-K1164 IonicContact OD1-NZ 3.17Å; D1085-K1164 PolarHBondContact OD1-NZ 3.44Å; D1085-K1164 IonicContact OD2-NZ 2.69Å; D1085-K1164 PolarHBondContact OD2-NZ 2.86Å | ||
| 1086 | S | 92.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.11 | C | C | . | . | G | 310 helix | trans | -57.4 | -23 | 178.2 | 60.4 | 0 | 0 | 0 | 0 | 114 | L1088 L1089 M1160 G1162 K1164 Y1166 | S1086-L1088 PolarHBondContact O-N 2.91Å; S1086-L1089 WeakPolarHBondContact O-CB 3.38Å; S1086-L1089 WeakPolarHBondContact O-CG 3.29Å; S1086-L1089 PolarHBondContact O-N 3.03Å; S1086-M1160 PolarHBondContact N-O 3.17Å; S1086-G1162 VanDerWaalsContact CB-O 3.23Å; S1086-G1162 WeakPolarHBondContact CB-O 3.4Å; S1086-G1162 PolarHBondContact OG-O 2.69Å; S1086-K1164 VanDerWaalsContact OG-CB 3.27Å; S1086-K1164 WeakPolarHBondContact OG-CB 3.48Å; S1086-K1164 WeakPolarHBondContact OG-CG 3.39Å; S1086-K1164 PolarHBondContact OG-N 2.78Å; S1086-Y1166 WeakPolarHBondContact O-CB 3.48Å |
| 1087 | A | 91.6 | Very high | 94.4 | Very high | 32 Ų | 32 | 19.5 Ų | 19.5 | 26% | 0.264 | 11% | 0.109 | S | C | . | . | G | 310 helix | trans | -66.9 | -15.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | D1085 K1164 | D1085-A1087 PolarHBondContact O-N 2.8Å; D1085-A1087 VanDerWaalsContact O-N 3.09Å; D1085-A1087 WeakPolarHBondContact OD1-CB 3.3Å; D1085-A1087 PolarHBondContact OD1-N 3.16Å; A1087-K1164 HydrophobicContact CB-CB 4.2Å; A1087-K1164 HydrophobicContact CB-CD 4.11Å |
| 1088 | L | 92 | Very high | 94.4 | Very high | 70 Ų | 70 | 20.4 Ų | 20.4 | 37% | 0.366 | 11% | 0.113 | S | C | . | . | G | 310 helix | trans | -85.5 | -11.9 | 176.8 | -63.1 | 176.8 | 0 | 0 | 0 | 113.3 | I1082 E1083 D1085 S1086 Y1095 | I1082-L1088 HydrophobicContact CD1-CB 4.32Å; I1082-L1088 HydrophobicContact CD1-CD1 4.26Å; E1083-L1088 HydrophobicContact CB-CD1 4.33Å; D1085-L1088 HydrophobicContact CB-CD1 4.14Å; D1085-L1088 HydrophobicContact CB-CG 4.16Å; D1085-L1088 WeakPolarHBondContact O-CB 3.34Å; D1085-L1088 PolarHBondContact O-N 3.28Å; S1086-L1088 PolarHBondContact O-N 2.91Å; L1088-Y1095 PolarHBondContact O-OH 2.88Å; L1088-Y1095 VanDerWaalsContact O-OH 3.05Å |
| 1089 | L | 94.2 | Very high | 94.1 | Very high | 2 Ų | 2 | 20.9 Ų | 20.9 | 1% | 0.01 | 12% | 0.115 | C | C | . | . | trans | -61.9 | 149.6 | 178.3 | -66.4 | 174.8 | 0 | 0 | 0 | 111.1 | S1086 Y1095 W1116 F1156 W1157 M1160 Y1166 D1167 | S1086-L1089 WeakPolarHBondContact O-CB 3.38Å; S1086-L1089 WeakPolarHBondContact O-CG 3.29Å; S1086-L1089 PolarHBondContact O-N 3.03Å; L1089-Y1095 HydrophobicContact CD2-CD1 3.92Å; L1089-Y1095 HydrophobicContact CD2-CD2 3.75Å; L1089-Y1095 HydrophobicContact CD2-CE1 4.33Å; L1089-Y1095 HydrophobicContact CD2-CE2 4.18Å; L1089-Y1095 HydrophobicContact CD2-CG 3.61Å; L1089-W1116 HydrophobicContact CB-CH2 4.46Å; L1089-W1116 HydrophobicContact CD2-CD2 4.44Å; L1089-W1116 HydrophobicContact CD2-CE3 4.34Å; L1089-F1156 HydrophobicContact CD1-CE1 4.07Å; L1089-F1156 HydrophobicContact CD1-CZ 4.16Å; L1089-W1157 HydrophobicContact CD1-CH2 4.3Å; L1089-W1157 HydrophobicContact CD1-CZ3 4Å; L1089-M1160 HydrophobicContact CD1-CE 4.36Å; L1089-M1160 HydrophobicContact CD2-CE 3.94Å; L1089-M1160 HydrophobicContact CG-CE 4.01Å; L1089-Y1166 HydrophobicContact CB-CD1 4.26Å; L1089-Y1166 HydrophobicContact CB-CD2 3.87Å; L1089-Y1166 HydrophobicContact CB-CE2 4.46Å; L1089-Y1166 HydrophobicContact CB-CG 3.78Å; L1089-Y1166 HydrophobicContact CD1-CD1 4.45Å; L1089-Y1166 WeakPolarHBondContact O-CB 3.44Å; L1089-D1167 PolarHBondContact O-N 3.43Å | ||
| 1090 | N | 94.4 | Very high | 93.7 | Very high | 9 Ų | 9 | 21.9 Ų | 21.9 | 5% | 0.048 | 12% | 0.122 | C | C | . | . | B | Isolated β-bridge | trans | -148.3 | 131.6 | 173.1 | -179.5 | -57 | 0 | 0 | 0 | 110.7 | G1092 F1093 Y1095 W1116 D1167 N1169 | N1090-G1092 PolarHBondContact O-N 3.08Å; N1090-G1092 PolarHBondContact OD1-N 2.91Å; N1090-F1093 HydrophobicContact CB-CD2 3.92Å; N1090-F1093 HydrophobicContact CB-CE2 4.3Å; N1090-F1093 PolarHBondContact O-N 2.91Å; N1090-F1093 VanDerWaalsContact O-N 3.13Å; N1090-Y1095 PolarHBondContact N-OH 3.29Å; N1090-W1116 WeakPolarHBondContact O-CZ3 3.01Å; N1090-D1167 WeakPolarHBondContact CA-O 3.4Å; N1090-D1167 PolarHBondContact ND2-O 2.81Å; N1090-N1169 PolarHBondContact ND2-O 3.5Å |
| 1091 | S | 95.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -16.2 | -175.5 | -57.4 | 0 | 0 | 0 | 0 | 114.8 | G1118 S1119 L1120 E1149 D1167 K1168 | S1091-G1118 CarbonylContact O-C 3.54Å; S1091-G1118 WeakPolarHBondContact O-CA 3.41Å; S1091-S1119 PolarHBondContact O-N 2.99Å; S1091-S1119 VanDerWaalsContact O-N 3.16Å; S1091-L1120 WeakPolarHBondContact O-CB 3.31Å; S1091-L1120 PolarHBondContact O-N 3.13Å; S1091-E1149 WeakPolarHBondContact CA-OE2 3.17Å; S1091-E1149 WeakPolarHBondContact CB-OE2 3.33Å; S1091-E1149 PolarHBondContact OG-OE1 3.24Å; S1091-E1149 PolarHBondContact OG-OE2 2.99Å; S1091-D1167 PolarHBondContact N-O 3.26Å; S1091-K1168 WeakPolarHBondContact OG-CA 3.4Å |
| 1092 | G | 93.2 | Very high | 92.6 | Very high | 17 Ų | 17 | 28.3 Ų | 28.3 | 18% | 0.175 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -0.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | N1090 | N1090-G1092 PolarHBondContact O-N 3.08Å; N1090-G1092 PolarHBondContact OD1-N 2.91Å |
| 1093 | F | 96 | Very high | 91.9 | Very high | 22 Ų | 22 | 32.9 Ų | 32.9 | 10% | 0.096 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -136.8 | 168.9 | -174.4 | -50.9 | -68.5 | 0 | 0 | 0 | 113.1 | H1067 R1069 N1090 Y1095 W1116 G1118 A1170 F1172 M1173 | H1067-F1093 WeakPolarHBondContact NE2-CB 3.36Å; H1067-F1093 AromaticContact NE2-CD2 3.51Å; H1067-F1093 AromaticContact NE2-CG 3.37Å; H1067-F1093 WeakPolarHBondContact NE2-CG 3.48Å; R1069-F1093 HydrophobicContact CB-CD1 4.42Å; R1069-F1093 HydrophobicContact CG-CD1 4.2Å; R1069-F1093 HydrophobicContact CG-CE1 3.93Å; N1090-F1093 HydrophobicContact CB-CD2 3.92Å; N1090-F1093 HydrophobicContact CB-CE2 4.3Å; N1090-F1093 PolarHBondContact O-N 2.91Å; N1090-F1093 VanDerWaalsContact O-N 3.13Å; F1093-Y1095 HydrophobicContact CB-CE2 3.94Å; F1093-W1116 WeakPolarHBondContact O-CZ3 3.33Å; F1093-G1118 PolarHBondContact O-N 2.87Å; F1093-A1170 HydrophobicContact CE2-CB 4.3Å; F1093-A1170 HydrophobicContact CZ-CB 4.21Å; F1093-F1172 HydrophobicContact CE2-CZ 4.16Å; F1093-F1172 HydrophobicContact CZ-CZ 4.18Å; F1093-M1173 HydrophobicContact CE1-CE 4.48Å; F1093-M1173 HydrophobicContact CE1-CG 4.28Å; F1093-M1173 HydrophobicContact CZ-CG 3.82Å; F1093-M1173 HydrophobicContact CZ-SD 4.12Å |
| 1094 | C | 97.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 141.5 | 172.5 | -66.7 | 0 | 0 | 0 | 0 | 111 | L1068 W1116 I1117 A1129 | L1068-C1094 HydrophobicContact CB-CB 4.27Å; L1068-C1094 HydrophobicContact CD2-CB 4.29Å; L1068-C1094 PolarHBondContact N-O 2.66Å; C1094-W1116 WeakPolarHBondContact CA-O 3.46Å; C1094-I1117 HydrophobicContact CB-CD1 4.49Å; C1094-I1117 VanDerWaalsContact SG-CD1 3.6Å; C1094-A1129 HydrophobicContact CB-CB 3.88Å |
| 1095 | Y | 97.3 | Very high | 91 | Very high | 7 Ų | 7 | 31.2 Ų | 31.2 | 3% | 0.027 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 147 | 175.9 | -64.6 | -99.8 | 0 | 0 | 0 | 110.2 | Y1066 H1067 I1082 L1088 L1089 N1090 F1093 W1116 | Y1066-Y1095 CarbonylContact O-C 3.58Å; Y1066-Y1095 VanDerWaalsContact O-CA 3.23Å; Y1066-Y1095 WeakPolarHBondContact O-CA 3.38Å; H1067-Y1095 HydrophobicContact CB-CD1 3.9Å; H1067-Y1095 HydrophobicContact CB-CE1 3.76Å; H1067-Y1095 AromaticContact CD2-CE1 3.68Å; H1067-Y1095 AromaticContact CD2-CZ 3.66Å; H1067-Y1095 AromaticContact CG-CE1 3.6Å; H1067-Y1095 AromaticContact NE2-CZ 3.87Å; I1082-Y1095 HydrophobicContact CD1-CD1 3.96Å; I1082-Y1095 HydrophobicContact CD1-CE1 3.83Å; L1088-Y1095 PolarHBondContact O-OH 2.88Å; L1088-Y1095 VanDerWaalsContact O-OH 3.05Å; L1089-Y1095 HydrophobicContact CD2-CD1 3.92Å; L1089-Y1095 HydrophobicContact CD2-CD2 3.75Å; L1089-Y1095 HydrophobicContact CD2-CE1 4.33Å; L1089-Y1095 HydrophobicContact CD2-CE2 4.18Å; L1089-Y1095 HydrophobicContact CD2-CG 3.61Å; N1090-Y1095 PolarHBondContact N-OH 3.29Å; F1093-Y1095 HydrophobicContact CB-CE2 3.94Å; Y1095-W1116 AromaticContact CD2-CE3 3.56Å; Y1095-W1116 HydrophobicContact CD2-CE3 3.56Å; Y1095-W1116 AromaticContact CD2-CZ3 3.66Å; Y1095-W1116 HydrophobicContact CD2-CZ3 3.66Å; Y1095-W1116 HydrophobicContact CE2-CE3 4.31Å; Y1095-W1116 AromaticContact CE2-CZ3 3.94Å; Y1095-W1116 HydrophobicContact CE2-CZ3 3.94Å; Y1095-W1116 HydrophobicContact CG-CE3 4.41Å; Y1095-W1116 PolarHBondContact N-O 3.49Å; Y1095-W1116 PolarHBondContact O-N 3Å |
| 1096 | F | 97 | Very high | 90.6 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 132.9 | 175.9 | -48.1 | -100.8 | 0 | 0 | 0 | 108.4 | C1065 Y1066 L1068 T1079 L1113 F1114 V1115 A1129 I1132 A1133 L1137 | C1065-F1096 CarbonylContact C-O 3.52Å; C1065-F1096 WeakPolarHBondContact CA-O 3.31Å; Y1066-F1096 HydrophobicContact CD2-CB 4.21Å; Y1066-F1096 PolarHBondContact N-O 2.79Å; Y1066-F1096 PolarHBondContact O-N 2.95Å; L1068-F1096 HydrophobicContact CB-CE2 3.74Å; L1068-F1096 HydrophobicContact CB-CZ 4.25Å; L1068-F1096 HydrophobicContact CD2-CZ 4.48Å; T1079-F1096 HydrophobicContact CG2-CD2 3.84Å; T1079-F1096 HydrophobicContact CG2-CE2 3.56Å; T1079-F1096 HydrophobicContact CG2-CZ 4.34Å; F1096-L1113 HydrophobicContact CB-CD1 4.49Å; F1096-F1114 CarbonylContact C-O 3.54Å; F1096-F1114 VanDerWaalsContact CA-O 3.29Å; F1096-F1114 WeakPolarHBondContact CA-O 3.29Å; F1096-V1115 HydrophobicContact CD1-CG1 4.41Å; F1096-V1115 HydrophobicContact CD1-CG2 4.24Å; F1096-V1115 HydrophobicContact CE1-CG1 4.31Å; F1096-A1129 HydrophobicContact CE1-CB 4.09Å; F1096-A1129 WeakPolarHBondContact CE1-O 3.38Å; F1096-A1129 HydrophobicContact CZ-CB 3.87Å; F1096-I1132 HydrophobicContact CE1-CB 4.36Å; F1096-I1132 HydrophobicContact CE1-CG2 4.25Å; F1096-I1132 HydrophobicContact CZ-CB 4.21Å; F1096-I1132 HydrophobicContact CZ-CG2 4.02Å; F1096-A1133 HydrophobicContact CD1-CB 3.91Å; F1096-A1133 HydrophobicContact CE1-CB 3.91Å; F1096-L1137 HydrophobicContact CB-CD1 3.76Å; F1096-L1137 HydrophobicContact CD1-CD1 3.56Å; F1096-L1137 HydrophobicContact CD2-CD1 4.13Å; F1096-L1137 HydrophobicContact CE1-CD1 4.13Å; F1096-L1137 HydrophobicContact CG-CD1 3.55Å |
| 1097 | L | 95.9 | Very high | 90.1 | Very high | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 108.3 | 176 | 179.6 | 66.8 | 0 | 0 | 0 | 109.4 | P1063 E1064 C1065 V1099 F1114 F1156 A1159 M1160 | P1063-L1097 HydrophobicContact CB-CD1 4.16Å; E1064-L1097 WeakPolarHBondContact O-CA 3.41Å; C1065-L1097 HydrophobicContact CB-CD1 4.24Å; L1097-V1099 HydrophobicContact CD2-CG2 3.97Å; L1097-V1099 HydrophobicContact CG-CG2 3.73Å; L1097-F1114 HydrophobicContact CB-CB 4.23Å; L1097-F1114 HydrophobicContact CD2-CD2 4.34Å; L1097-F1114 PolarHBondContact N-O 3.04Å; L1097-F1114 PolarHBondContact O-N 3.19Å; L1097-F1156 HydrophobicContact CB-CD2 4.42Å; L1097-F1156 HydrophobicContact CB-CE2 4.18Å; L1097-F1156 HydrophobicContact CD2-CD2 3.51Å; L1097-F1156 HydrophobicContact CD2-CE2 3.82Å; L1097-F1156 HydrophobicContact CD2-CG 4.17Å; L1097-A1159 HydrophobicContact CD1-CB 4.39Å; L1097-A1159 HydrophobicContact CD2-CB 3.76Å; L1097-A1159 HydrophobicContact CG-CB 4.33Å; L1097-M1160 HydrophobicContact CD1-CG 4.3Å; L1097-M1160 HydrophobicContact CD1-SD 3.73Å; L1097-M1160 HydrophobicContact CD2-CG 3.64Å; L1097-M1160 HydrophobicContact CD2-SD 4.09Å; L1097-M1160 HydrophobicContact CG-SD 4.37Å |
| 1098 | K | 92.7 | Very high | 89.7 | Confident | 29 Ų | 29 | 47.8 Ų | 47.8 | 13% | 0.126 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 114.2 | 176.4 | -177.4 | 173.3 | 167.8 | -166.1 | 0 | 108.5 | P1063 E1064 P1100 L1113 W1142 | P1063-K1098 CarbonylContact C-O 3.54Å; P1063-K1098 VanDerWaalsContact CA-O 3.22Å; P1063-K1098 WeakPolarHBondContact CA-O 3.44Å; E1064-K1098 HydrophobicContact CB-CB 4.25Å; E1064-K1098 PolarHBondContact N-O 3.46Å; E1064-K1098 PolarHBondContact O-N 3.37Å; E1064-K1098 IonicContact OE2-NZ 3.35Å; K1098-P1100 WeakPolarHBondContact O-CD 3.47Å; K1098-L1113 HydrophobicContact CB-CD1 3.81Å; K1098-L1113 HydrophobicContact CG-CD1 4.43Å; K1098-W1142 HydrophobicContact CD-CZ3 4.06Å; K1098-W1142 HydrophobicContact CG-CE3 4.01Å; K1098-W1142 HydrophobicContact CG-CH2 4.49Å; K1098-W1142 HydrophobicContact CG-CZ3 3.47Å; K1098-W1142 VanDerWaalsContact CG-CZ3 3.47Å |
| 1099 | V | 91.7 | Very high | 89.4 | Confident | 11 Ų | 11 | 46 Ų | 46 | 7% | 0.067 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 100.1 | -176.6 | -172.6 | 0 | 0 | 0 | 0 | 108.9 | L1097 F1101 G1111 K1112 F1114 A1159 | L1097-V1099 HydrophobicContact CD2-CG2 3.97Å; L1097-V1099 HydrophobicContact CG-CG2 3.73Å; V1099-F1101 HydrophobicContact CB-CE1 4.4Å; V1099-F1101 HydrophobicContact CG1-CD1 4.28Å; V1099-F1101 HydrophobicContact CG1-CE1 3.92Å; V1099-G1111 CarbonylContact O-C 3.23Å; V1099-G1111 WeakPolarHBondContact O-CA 3.34Å; V1099-K1112 PolarHBondContact N-O 2.95Å; V1099-K1112 PolarHBondContact O-N 3.23Å; V1099-F1114 HydrophobicContact CB-CE2 4.35Å; V1099-F1114 HydrophobicContact CG2-CD2 3.79Å; V1099-F1114 HydrophobicContact CG2-CE2 3.76Å; V1099-A1159 HydrophobicContact CG1-CB 4.11Å; V1099-A1159 HydrophobicContact CG2-CB 3.57Å |
| 1100 | P | 88.9 | Confident | 89.1 | Confident | 21 Ų | 21 | 54.3 Ų | 54.3 | 14% | 0.136 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 142.5 | 172.5 | 29.8 | -33.7 | 0 | 0 | 0 | 110.6 | R1061 K1098 W1142 | R1061-P1100 HydrophobicContact CB-CB 3.66Å; R1061-P1100 HydrophobicContact CB-CG 3.61Å; R1061-P1100 WeakPolarHBondContact O-CG 3.39Å; K1098-P1100 WeakPolarHBondContact O-CD 3.47Å; P1100-W1142 HydrophobicContact CB-CH2 3.9Å; P1100-W1142 HydrophobicContact CB-CZ3 4.43Å |
| 1101 | F | 85.9 | Confident | 88.8 | Confident | 41 Ų | 41 | 53.9 Ų | 53.9 | 18% | 0.18 | 28% | 0.283 | C | S | . | . | trans | -103.3 | 134.3 | 172.8 | -53.5 | -30.9 | 0 | 0 | 0 | 110.2 | V1099 V1103 D1105 R1110 K1112 M1155 | V1099-F1101 HydrophobicContact CB-CE1 4.4Å; V1099-F1101 HydrophobicContact CG1-CD1 4.28Å; V1099-F1101 HydrophobicContact CG1-CE1 3.92Å; F1101-V1103 VanDerWaalsContact C-N 3.29Å; F1101-V1103 WeakPolarHBondContact CB-O 3.21Å; F1101-D1105 HydrophobicContact CD2-CB 4.35Å; F1101-D1105 HydrophobicContact CE2-CB 4.27Å; F1101-R1110 PolarHBondContact N-O 2.9Å; F1101-K1112 HydrophobicContact CE1-CB 4.39Å; F1101-K1112 HydrophobicContact CE2-CB 4.28Å; F1101-K1112 HydrophobicContact CZ-CB 3.67Å; F1101-K1112 HydrophobicContact CZ-CD 4.4Å; F1101-M1155 HydrophobicContact CE1-CE 4.06Å; F1101-M1155 HydrophobicContact CE1-SD 3.78Å; F1101-M1155 HydrophobicContact CZ-CE 4.11Å; F1101-M1155 HydrophobicContact CZ-SD 3.93Å | ||
| 1102 | N | 80 | Confident | 88.7 | Confident | 128 Ų | 128 | 56.8 Ų | 56.8 | 68% | 0.684 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -70.4 | -31.1 | 174.1 | -70.2 | -23.7 | 0 | 0 | 0 | 111.7 | ||
| 1103 | V | 80.2 | Confident | 88.7 | Confident | 110 Ų | 110 | 56 Ų | 56 | 67% | 0.667 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -120.6 | 134.3 | 176.9 | -173.6 | 0 | 0 | 0 | 0 | 107.3 | F1101 | F1101-V1103 VanDerWaalsContact C-N 3.29Å; F1101-V1103 WeakPolarHBondContact CB-O 3.21Å |
| 1104 | P | 81.4 | Confident | 88.7 | Confident | 64 Ų | 64 | 55.3 Ų | 55.3 | 42% | 0.416 | 28% | 0.284 | S | S | . | . | trans | -55.3 | 144.2 | 174.5 | -20.3 | 30.8 | 0 | 0 | 0 | 111.5 | N1109 R1110 | P1104-N1109 VanDerWaalsContact CA-O 3.28Å; P1104-N1109 WeakPolarHBondContact CA-O 3.22Å; P1104-R1110 HydrophobicContact CG-CG 4.34Å | ||
| 1105 | D | 83.1 | Confident | 88.7 | Confident | 49 Ų | 49 | 55.3 Ų | 55.3 | 26% | 0.262 | 28% | 0.284 | S | S | . | . | trans | -71.2 | 179 | 172 | 67.5 | 9.4 | 0 | 0 | 0 | 111.9 | F1101 E1107 G1108 N1109 | F1101-D1105 HydrophobicContact CD2-CB 4.35Å; F1101-D1105 HydrophobicContact CE2-CB 4.27Å; D1105-E1107 PolarHBondContact O-N 2.9Å; D1105-E1107 VanDerWaalsContact O-N 3.12Å; D1105-E1107 PolarHBondContact OD1-N 3.49Å; D1105-E1107 VanDerWaalsContact OD1-N 3.14Å; D1105-G1108 PolarHBondContact O-N 2.6Å; D1105-G1108 PolarHBondContact OD1-N 2.68Å; D1105-N1109 PolarHBondContact N-O 2.89Å; D1105-N1109 WeakPolarHBondContact OD1-CA 3.26Å; D1105-N1109 WeakPolarHBondContact OD1-CB 3.45Å; D1105-N1109 PolarHBondContact OD1-N 3.08Å; D1105-N1109 PolarHBondContact OD1-ND2 2.9Å; D1105-N1109 WeakPolarHBondContact OD2-CB 3.19Å; D1105-N1109 PolarHBondContact OD2-ND2 3.45Å; D1105-N1109 VanDerWaalsContact OD2-ND2 3.1Å | ||
| 1106 | E | 81.6 | Confident | 88.7 | Confident | 212 Ų | 212 | 55 Ų | 55 | 99% | 0.991 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -24.2 | 179.8 | -64.1 | -175.4 | 171.4 | 0 | 0 | 113.3 | ||
| 1107 | E | 82.5 | Confident | 88.7 | Confident | 160 Ų | 160 | 55.6 Ų | 55.6 | 75% | 0.748 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -3.7 | 177.8 | -66 | 173.9 | -177.7 | 0 | 0 | 112.6 | D1105 N1109 | D1105-E1107 PolarHBondContact O-N 2.9Å; D1105-E1107 VanDerWaalsContact O-N 3.12Å; D1105-E1107 PolarHBondContact OD1-N 3.49Å; D1105-E1107 VanDerWaalsContact OD1-N 3.14Å; E1107-N1109 WeakPolarHBondContact CB-ND2 3.23Å; E1107-N1109 PolarHBondContact OE2-ND2 3.32Å |
| 1108 | G | 82.9 | Confident | 88.7 | Confident | 49 Ų | 49 | 55.6 Ų | 55.6 | 51% | 0.505 | 29% | 0.286 | S | S | . | . | trans | 86.4 | 5.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | D1105 | D1105-G1108 PolarHBondContact O-N 2.6Å; D1105-G1108 PolarHBondContact OD1-N 2.68Å | ||
| 1109 | N | 86.3 | Confident | 88.8 | Confident | 34 Ų | 34 | 58.2 Ų | 58.2 | 18% | 0.182 | 31% | 0.308 | C | S | . | . | trans | -73.7 | 137.6 | 179 | -52.8 | -61.3 | 0 | 0 | 0 | 110.9 | P1104 D1105 E1107 G1111 P1143 | P1104-N1109 VanDerWaalsContact CA-O 3.28Å; P1104-N1109 WeakPolarHBondContact CA-O 3.22Å; D1105-N1109 PolarHBondContact N-O 2.89Å; D1105-N1109 WeakPolarHBondContact OD1-CA 3.26Å; D1105-N1109 WeakPolarHBondContact OD1-CB 3.45Å; D1105-N1109 PolarHBondContact OD1-N 3.08Å; D1105-N1109 PolarHBondContact OD1-ND2 2.9Å; D1105-N1109 WeakPolarHBondContact OD2-CB 3.19Å; D1105-N1109 PolarHBondContact OD2-ND2 3.45Å; D1105-N1109 VanDerWaalsContact OD2-ND2 3.1Å; E1107-N1109 WeakPolarHBondContact CB-ND2 3.23Å; E1107-N1109 PolarHBondContact OE2-ND2 3.32Å; N1109-G1111 VanDerWaalsContact C-N 3.34Å; N1109-P1143 HydrophobicContact CB-CG 4.25Å | ||
| 1110 | R | 86.9 | Confident | 88.9 | Confident | 176 Ų | 176 | 62.7 Ų | 62.7 | 66% | 0.664 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -93.7 | 13.3 | 177.3 | -69.7 | -170 | 173.9 | -161 | -1 | 114.1 | F1101 P1104 W1142 | F1101-R1110 PolarHBondContact N-O 2.9Å; P1104-R1110 HydrophobicContact CG-CG 4.34Å; R1110-W1142 WeakPolarHBondContact O-CZ2 3.06Å |
| 1111 | G | 89.3 | Confident | 89.1 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 167.4 | 175.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | V1099 N1109 W1142 P1143 | V1099-G1111 CarbonylContact O-C 3.23Å; V1099-G1111 WeakPolarHBondContact O-CA 3.34Å; N1109-G1111 VanDerWaalsContact C-N 3.34Å; G1111-W1142 WeakPolarHBondContact O-CB 3.34Å; G1111-P1143 WeakPolarHBondContact O-CD 3.35Å |
| 1112 | K | 92.2 | Very high | 89.3 | Confident | 61 Ų | 61 | 64.5 Ų | 64.5 | 27% | 0.265 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 142.7 | -177.1 | -162.6 | 156.5 | -167.3 | 162.1 | 0 | 109.7 | V1099 F1101 F1114 P1143 V1145 | V1099-K1112 PolarHBondContact N-O 2.95Å; V1099-K1112 PolarHBondContact O-N 3.23Å; F1101-K1112 HydrophobicContact CE1-CB 4.39Å; F1101-K1112 HydrophobicContact CE2-CB 4.28Å; F1101-K1112 HydrophobicContact CZ-CB 3.67Å; F1101-K1112 HydrophobicContact CZ-CD 4.4Å; K1112-F1114 HydrophobicContact CB-CE2 4.36Å; K1112-F1114 HydrophobicContact CB-CZ 4.38Å; K1112-F1114 HydrophobicContact CD-CE1 3.98Å; K1112-F1114 HydrophobicContact CD-CZ 3.77Å; K1112-F1114 HydrophobicContact CG-CE1 4.09Å; K1112-F1114 HydrophobicContact CG-CE2 4.31Å; K1112-F1114 HydrophobicContact CG-CZ 3.94Å; K1112-P1143 HydrophobicContact CG-CG 4.17Å; K1112-V1145 HydrophobicContact CD-CG2 4.36Å; K1112-V1145 HydrophobicContact CG-CG2 4.31Å |
| 1113 | L | 94.1 | Very high | 89.8 | Confident | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.005 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 113.6 | 176.7 | -177.9 | 63 | 0 | 0 | 0 | 109.1 | F1096 K1098 A1133 L1137 N1138 P1143 V1144 V1145 | F1096-L1113 HydrophobicContact CB-CD1 4.49Å; K1098-L1113 HydrophobicContact CB-CD1 3.81Å; K1098-L1113 HydrophobicContact CG-CD1 4.43Å; L1113-A1133 HydrophobicContact CD2-CB 3.72Å; L1113-A1133 WeakPolarHBondContact CD2-O 3.05Å; L1113-A1133 HydrophobicContact CG-CB 4.48Å; L1113-L1137 HydrophobicContact CD2-CB 4.04Å; L1113-N1138 HydrophobicContact CD2-CB 4.12Å; L1113-P1143 PolarHBondContact N-O 3.23Å; L1113-V1144 HydrophobicContact CB-CG2 4.32Å; L1113-V1144 HydrophobicContact CD2-CG1 4.5Å; L1113-V1144 HydrophobicContact CD2-CG2 4.12Å; L1113-V1144 CarbonylContact O-C 3.31Å; L1113-V1144 VanDerWaalsContact O-CA 3.29Å; L1113-V1144 WeakPolarHBondContact O-CA 3.19Å; L1113-V1145 PolarHBondContact O-N 2.91Å |
| 1114 | F | 95.9 | Very high | 90.3 | Very high | 6 Ų | 6 | 62.9 Ų | 62.9 | 3% | 0.026 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 134.3 | 176 | -63 | -69.6 | 0 | 0 | 0 | 110.5 | F1096 L1097 V1099 K1112 V1145 I1147 P1153 M1155 F1156 | F1096-F1114 CarbonylContact C-O 3.54Å; F1096-F1114 VanDerWaalsContact CA-O 3.29Å; F1096-F1114 WeakPolarHBondContact CA-O 3.29Å; L1097-F1114 HydrophobicContact CB-CB 4.23Å; L1097-F1114 HydrophobicContact CD2-CD2 4.34Å; L1097-F1114 PolarHBondContact N-O 3.04Å; L1097-F1114 PolarHBondContact O-N 3.19Å; V1099-F1114 HydrophobicContact CB-CE2 4.35Å; V1099-F1114 HydrophobicContact CG2-CD2 3.79Å; V1099-F1114 HydrophobicContact CG2-CE2 3.76Å; K1112-F1114 HydrophobicContact CB-CE2 4.36Å; K1112-F1114 HydrophobicContact CB-CZ 4.38Å; K1112-F1114 HydrophobicContact CD-CE1 3.98Å; K1112-F1114 HydrophobicContact CD-CZ 3.77Å; K1112-F1114 HydrophobicContact CG-CE1 4.09Å; K1112-F1114 HydrophobicContact CG-CE2 4.31Å; K1112-F1114 HydrophobicContact CG-CZ 3.94Å; F1114-V1145 CarbonylContact C-O 3.45Å; F1114-V1145 WeakPolarHBondContact CA-O 3.34Å; F1114-V1145 HydrophobicContact CD1-CB 3.91Å; F1114-V1145 HydrophobicContact CD1-CG1 4.21Å; F1114-V1145 HydrophobicContact CE1-CB 4.19Å; F1114-V1145 HydrophobicContact CE1-CG1 4.35Å; F1114-I1147 HydrophobicContact CB-CD1 3.91Å; F1114-I1147 HydrophobicContact CD1-CD1 3.24Å; F1114-I1147 HydrophobicContact CD1-CG1 4.03Å; F1114-I1147 HydrophobicContact CE1-CD1 3.9Å; F1114-I1147 HydrophobicContact CG-CD1 3.77Å; F1114-P1153 HydrophobicContact CE1-CG 4.26Å; F1114-M1155 HydrophobicContact CE2-CG 4.42Å; F1114-M1155 HydrophobicContact CE2-SD 4.1Å; F1114-M1155 HydrophobicContact CZ-CG 4.49Å; F1114-M1155 HydrophobicContact CZ-SD 3.9Å; F1114-F1156 HydrophobicContact CB-CD2 4.17Å; F1114-F1156 HydrophobicContact CD2-CD2 4.46Å; F1114-F1156 HydrophobicContact CG-CD2 4.35Å |
| 1115 | V | 96.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 98.6 | 170.7 | -171.7 | 0 | 0 | 0 | 0 | 107 | F1096 I1117 A1129 A1133 V1144 V1145 R1146 I1147 | F1096-V1115 HydrophobicContact CD1-CG1 4.41Å; F1096-V1115 HydrophobicContact CD1-CG2 4.24Å; F1096-V1115 HydrophobicContact CE1-CG1 4.31Å; V1115-I1117 HydrophobicContact CG1-CD1 3.75Å; V1115-A1129 HydrophobicContact CG1-CB 3.86Å; V1115-A1133 HydrophobicContact CG2-CB 3.48Å; V1115-A1133 VanDerWaalsContact CG2-CB 3.48Å; V1115-V1144 HydrophobicContact CG2-CG1 3.66Å; V1115-V1145 PolarHBondContact N-O 2.81Å; V1115-R1146 WeakPolarHBondContact O-CA 3.42Å; V1115-I1147 PolarHBondContact O-N 3.03Å |
| 1116 | W | 97.5 | Very high | 91.3 | Very high | 1 Ų | 1 | 59.8 Ų | 59.8 | 0% | 0.004 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 122.9 | 178.7 | -175.7 | 93.1 | 0 | 0 | 0 | 109.7 | L1089 N1090 F1093 C1094 Y1095 G1118 I1147 E1149 E1152 F1156 Y1166 | L1089-W1116 HydrophobicContact CB-CH2 4.46Å; L1089-W1116 HydrophobicContact CD2-CD2 4.44Å; L1089-W1116 HydrophobicContact CD2-CE3 4.34Å; N1090-W1116 WeakPolarHBondContact O-CZ3 3.01Å; F1093-W1116 WeakPolarHBondContact O-CZ3 3.33Å; C1094-W1116 WeakPolarHBondContact CA-O 3.46Å; Y1095-W1116 AromaticContact CD2-CE3 3.56Å; Y1095-W1116 HydrophobicContact CD2-CE3 3.56Å; Y1095-W1116 AromaticContact CD2-CZ3 3.66Å; Y1095-W1116 HydrophobicContact CD2-CZ3 3.66Å; Y1095-W1116 HydrophobicContact CE2-CE3 4.31Å; Y1095-W1116 AromaticContact CE2-CZ3 3.94Å; Y1095-W1116 HydrophobicContact CE2-CZ3 3.94Å; Y1095-W1116 HydrophobicContact CG-CE3 4.41Å; Y1095-W1116 PolarHBondContact N-O 3.49Å; Y1095-W1116 PolarHBondContact O-N 3Å; W1116-G1118 VanDerWaalsContact CZ3-CA 3.49Å; W1116-I1147 CarbonylContact C-O 3.55Å; W1116-I1147 WeakPolarHBondContact CA-O 3.32Å; W1116-E1149 HydrophobicContact CH2-CB 4.35Å; W1116-E1149 HydrophobicContact CH2-CG 4.35Å; W1116-E1149 HydrophobicContact CZ2-CB 3.68Å; W1116-E1149 HydrophobicContact CZ2-CG 3.64Å; W1116-E1152 PolarHBondContact NE1-OE1 3.19Å; W1116-F1156 HydrophobicContact CB-CE2 3.94Å; W1116-F1156 HydrophobicContact CB-CZ 4.01Å; W1116-F1156 AromaticContact CD1-CZ 3.6Å; W1116-F1156 HydrophobicContact CG-CE2 4.26Å; W1116-F1156 AromaticContact CG-CZ 3.87Å; W1116-F1156 HydrophobicContact CG-CZ 3.87Å; W1116-Y1166 HydrophobicContact CH2-CE2 4.39Å; W1116-Y1166 HydrophobicContact CZ2-CE2 4.29Å |
| 1117 | I | 97.1 | Very high | 91.9 | Very high | 12 Ų | 12 | 54 Ų | 54 | 6% | 0.062 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 112.6 | -178.3 | -51.1 | -59 | 0 | 0 | 0 | 108.4 | C1094 V1115 V1121 A1126 A1129 R1146 I1147 E1149 | C1094-I1117 HydrophobicContact CB-CD1 4.49Å; C1094-I1117 VanDerWaalsContact SG-CD1 3.6Å; V1115-I1117 HydrophobicContact CG1-CD1 3.75Å; I1117-V1121 HydrophobicContact CG2-CB 4.09Å; I1117-V1121 HydrophobicContact CG2-CG1 4.27Å; I1117-A1126 HydrophobicContact CD1-CB 3.88Å; I1117-A1126 HydrophobicContact CG1-CB 4.32Å; I1117-A1126 HydrophobicContact CG2-CB 3.94Å; I1117-A1129 HydrophobicContact CD1-CB 4.43Å; I1117-R1146 HydrophobicContact CG1-CG 3.99Å; I1117-I1147 PolarHBondContact N-O 3.01Å; I1117-E1149 PolarHBondContact O-N 2.97Å |
| 1118 | G | 95.3 | Very high | 92.4 | Very high | 2 Ų | 2 | 47.6 Ų | 47.6 | 2% | 0.021 | 26% | 0.255 | C | S | . | . | trans | -63.5 | 149.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | S1091 F1093 W1116 L1120 V1121 | S1091-G1118 CarbonylContact O-C 3.54Å; S1091-G1118 WeakPolarHBondContact O-CA 3.41Å; F1093-G1118 PolarHBondContact O-N 2.87Å; W1116-G1118 VanDerWaalsContact CZ3-CA 3.49Å; G1118-L1120 PolarHBondContact O-N 3.06Å; G1118-L1120 VanDerWaalsContact O-N 3.14Å; G1118-V1121 WeakPolarHBondContact O-CB 3.5Å; G1118-V1121 WeakPolarHBondContact O-CG2 3.31Å; G1118-V1121 PolarHBondContact O-N 2.94Å; G1118-V1121 VanDerWaalsContact O-N 3.17Å | ||
| 1119 | S | 94.5 | Very high | 93 | Very high | 84 Ų | 84 | 45.3 Ų | 45.3 | 59% | 0.587 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65 | -14.6 | -175.5 | 52.9 | 0 | 0 | 0 | 0 | 115.7 | S1091 E1149 | S1091-S1119 PolarHBondContact O-N 2.99Å; S1091-S1119 VanDerWaalsContact O-N 3.16Å; S1119-E1149 VanDerWaalsContact CB-OE2 3.24Å; S1119-E1149 WeakPolarHBondContact CB-OE2 3.13Å; S1119-E1149 PolarHBondContact N-OE2 3.38Å; S1119-E1149 PolarHBondContact OG-OE2 3.11Å |
| 1120 | L | 94 | Very high | 93.4 | Very high | 106 Ų | 106 | 45.4 Ų | 45.4 | 56% | 0.555 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.8 | 3.5 | 178.8 | -57.9 | 175.1 | 0 | 0 | 0 | 113.1 | S1091 G1118 K1168 | S1091-L1120 WeakPolarHBondContact O-CB 3.31Å; S1091-L1120 PolarHBondContact O-N 3.13Å; G1118-L1120 PolarHBondContact O-N 3.06Å; G1118-L1120 VanDerWaalsContact O-N 3.14Å; L1120-K1168 WeakPolarHBondContact CD1-O 3.3Å |
| 1121 | V | 93.2 | Very high | 93.8 | Very high | 28 Ų | 28 | 41.5 Ų | 41.5 | 17% | 0.17 | 22% | 0.22 | C | C | . | . | trans | -78.4 | 140.7 | 179.9 | 177.2 | 0 | 0 | 0 | 0 | 110.6 | I1117 G1118 T1125 A1126 | I1117-V1121 HydrophobicContact CG2-CB 4.09Å; I1117-V1121 HydrophobicContact CG2-CG1 4.27Å; G1118-V1121 WeakPolarHBondContact O-CB 3.5Å; G1118-V1121 WeakPolarHBondContact O-CG2 3.31Å; G1118-V1121 PolarHBondContact O-N 2.94Å; G1118-V1121 VanDerWaalsContact O-N 3.17Å; V1121-T1125 HydrophobicContact CG1-CG2 4.11Å; V1121-A1126 HydrophobicContact CG1-CB 4.48Å | ||
| 1122 | N | 90 | Very high | 94 | Very high | 71 Ų | 71 | 41.5 Ų | 41.5 | 38% | 0.38 | 22% | 0.22 | S | C | . | . | trans | -78.8 | 155.1 | 173.1 | 70.1 | 11.1 | 0 | 0 | 0 | 111.7 | N1124 T1125 A1126 | N1122-N1124 VanDerWaalsContact C-N 3.26Å; N1122-N1124 PolarHBondContact O-N 3.02Å; N1122-T1125 PolarHBondContact O-N 3.04Å; N1122-T1125 WeakPolarHBondContact OD1-CB 3.25Å; N1122-T1125 PolarHBondContact OD1-N 3.44Å; N1122-T1125 PolarHBondContact OD1-OG1 2.91Å; N1122-A1126 PolarHBondContact O-N 3.19Å; N1122-A1126 VanDerWaalsContact O-N 3.15Å | ||
| 1123 | E | 91.4 | Very high | 94.1 | Very high | 96 Ų | 96 | 38.6 Ų | 38.6 | 45% | 0.449 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -64.1 | -31.7 | -175.1 | -164.8 | 65 | -167.2 | 0 | 0 | 112.4 | T1125 A1126 L1127 R1146 | E1123-T1125 PolarHBondContact O-N 2.78Å; E1123-A1126 WeakPolarHBondContact O-CB 3.39Å; E1123-A1126 PolarHBondContact O-N 3.19Å; E1123-L1127 HydrophobicContact CG-CD1 4.44Å; E1123-L1127 HydrophobicContact CG-CG 4.42Å; E1123-L1127 WeakPolarHBondContact O-CG 3.41Å; E1123-L1127 PolarHBondContact O-N 2.95Å; E1123-R1146 IonicContact OE1-CZ 3.71Å; E1123-R1146 IonicContact OE1-NH1 3.41Å; E1123-R1146 PolarHBondContact OE1-NH1 3.39Å; E1123-R1146 IonicContact OE1-NH2 3.92Å; E1123-R1146 PolarHBondContact OE1-NH2 3.45Å; E1123-R1146 IonicContact OE2-NH2 3.8Å; E1123-R1146 PolarHBondContact OE2-NH2 3.26Å |
| 1124 | N | 90.1 | Very high | 94 | Very high | 109 Ų | 109 | 43.9 Ų | 43.9 | 58% | 0.583 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -59.7 | -45.2 | 176.7 | -67 | -12.6 | 0 | 0 | 0 | 112.3 | N1122 A1126 L1127 L1128 | N1122-N1124 VanDerWaalsContact C-N 3.26Å; N1122-N1124 PolarHBondContact O-N 3.02Å; N1124-A1126 VanDerWaalsContact C-N 3.34Å; N1124-L1127 PolarHBondContact O-N 3.21Å; N1124-L1128 PolarHBondContact O-N 2.56Å |
| 1125 | T | 91.5 | Very high | 93.8 | Very high | 47 Ų | 47 | 47.6 Ų | 47.6 | 29% | 0.288 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -69.4 | -35.1 | 176.7 | -55.7 | 0 | 0 | 0 | 0 | 111.1 | L1068 V1121 N1122 E1123 L1128 A1129 | L1068-T1125 HydrophobicContact CD2-CG2 4.01Å; V1121-T1125 HydrophobicContact CG1-CG2 4.11Å; N1122-T1125 PolarHBondContact O-N 3.04Å; N1122-T1125 WeakPolarHBondContact OD1-CB 3.25Å; N1122-T1125 PolarHBondContact OD1-N 3.44Å; N1122-T1125 PolarHBondContact OD1-OG1 2.91Å; E1123-T1125 PolarHBondContact O-N 2.78Å; T1125-L1128 PolarHBondContact O-N 2.83Å; T1125-A1129 WeakPolarHBondContact O-CB 3.35Å; T1125-A1129 PolarHBondContact O-N 3.41Å |
| 1126 | A | 93.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64 | -42.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | I1117 V1121 N1122 E1123 N1124 A1129 E1130 | I1117-A1126 HydrophobicContact CD1-CB 3.88Å; I1117-A1126 HydrophobicContact CG1-CB 4.32Å; I1117-A1126 HydrophobicContact CG2-CB 3.94Å; V1121-A1126 HydrophobicContact CG1-CB 4.48Å; N1122-A1126 PolarHBondContact O-N 3.19Å; N1122-A1126 VanDerWaalsContact O-N 3.15Å; E1123-A1126 WeakPolarHBondContact O-CB 3.39Å; E1123-A1126 PolarHBondContact O-N 3.19Å; N1124-A1126 VanDerWaalsContact C-N 3.34Å; A1126-A1129 WeakPolarHBondContact O-CB 3.48Å; A1126-A1129 PolarHBondContact O-N 2.72Å; A1126-E1130 PolarHBondContact O-N 2.87Å |
| 1127 | L | 94.2 | Very high | 93.2 | Very high | 92 Ų | 92 | 49.2 Ų | 49.2 | 48% | 0.482 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.6 | -44.1 | 174.7 | -69 | 173.4 | 0 | 0 | 0 | 111.8 | E1123 N1124 A1129 E1130 E1131 | E1123-L1127 HydrophobicContact CG-CD1 4.44Å; E1123-L1127 HydrophobicContact CG-CG 4.42Å; E1123-L1127 WeakPolarHBondContact O-CG 3.41Å; E1123-L1127 PolarHBondContact O-N 2.95Å; N1124-L1127 PolarHBondContact O-N 3.21Å; L1127-A1129 VanDerWaalsContact C-N 3.28Å; L1127-A1129 PolarHBondContact O-N 3.33Å; L1127-E1130 PolarHBondContact O-N 3.3Å; L1127-E1131 PolarHBondContact O-N 3.32Å |
| 1128 | L | 93.7 | Very high | 92.7 | Very high | 25 Ų | 25 | 49.8 Ų | 49.8 | 13% | 0.131 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.8 | -41.3 | 173.6 | 175.6 | 64.3 | 0 | 0 | 0 | 111.3 | K1042 M1043 N1124 T1125 E1131 I1132 | K1042-L1128 HydrophobicContact CB-CD1 4.26Å; K1042-L1128 HydrophobicContact CB-CD2 3.81Å; K1042-L1128 HydrophobicContact CD-CD2 4.13Å; M1043-L1128 HydrophobicContact CE-CD1 4.48Å; M1043-L1128 HydrophobicContact CG-CD1 4.37Å; N1124-L1128 PolarHBondContact O-N 2.56Å; T1125-L1128 PolarHBondContact O-N 2.83Å; L1128-E1131 PolarHBondContact O-N 3.46Å; L1128-I1132 HydrophobicContact CD1-CD1 4.03Å; L1128-I1132 HydrophobicContact CD1-CG1 4.19Å; L1128-I1132 HydrophobicContact CD2-CD1 4.46Å; L1128-I1132 HydrophobicContact CG-CD1 3.85Å; L1128-I1132 HydrophobicContact CG-CG1 4.42Å; L1128-I1132 VanDerWaalsContact O-CG1 3.29Å; L1128-I1132 WeakPolarHBondContact O-CG1 3.2Å; L1128-I1132 PolarHBondContact O-N 2.89Å |
| 1129 | A | 95.4 | Very high | 92 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.5 | -48.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | L1068 C1094 F1096 V1115 I1117 T1125 A1126 L1127 E1131 I1132 A1133 | L1068-A1129 HydrophobicContact CD2-CB 3.97Å; C1094-A1129 HydrophobicContact CB-CB 3.88Å; F1096-A1129 HydrophobicContact CE1-CB 4.09Å; F1096-A1129 WeakPolarHBondContact CE1-O 3.38Å; F1096-A1129 HydrophobicContact CZ-CB 3.87Å; V1115-A1129 HydrophobicContact CG1-CB 3.86Å; I1117-A1129 HydrophobicContact CD1-CB 4.43Å; T1125-A1129 WeakPolarHBondContact O-CB 3.35Å; T1125-A1129 PolarHBondContact O-N 3.41Å; A1126-A1129 WeakPolarHBondContact O-CB 3.48Å; A1126-A1129 PolarHBondContact O-N 2.72Å; L1127-A1129 VanDerWaalsContact C-N 3.28Å; L1127-A1129 PolarHBondContact O-N 3.33Å; A1129-E1131 PolarHBondContact O-N 3.34Å; A1129-I1132 PolarHBondContact O-N 3Å; A1129-A1133 WeakPolarHBondContact O-CB 3.16Å; A1129-A1133 PolarHBondContact O-N 3.22Å |
| 1130 | E | 94.5 | Very high | 91.3 | Very high | 36 Ų | 36 | 53.3 Ų | 53.3 | 17% | 0.168 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -57.3 | -38.3 | 175.6 | -73.2 | -171.2 | -149 | 0 | 0 | 113.4 | A1126 L1127 A1133 K1134 R1146 | A1126-E1130 PolarHBondContact O-N 2.87Å; L1127-E1130 PolarHBondContact O-N 3.3Å; E1130-A1133 WeakPolarHBondContact O-CB 3.24Å; E1130-A1133 PolarHBondContact O-N 3.07Å; E1130-K1134 WeakPolarHBondContact O-CD 3.13Å; E1130-K1134 VanDerWaalsContact O-CG 3.27Å; E1130-K1134 WeakPolarHBondContact O-CG 3.44Å; E1130-K1134 PolarHBondContact O-N 3.37Å; E1130-K1134 IonicContact OE2-NZ 3.23Å; E1130-K1134 PolarHBondContact OE2-NZ 2.97Å; E1130-R1146 VanDerWaalsContact OE1-CD 3.26Å; E1130-R1146 WeakPolarHBondContact OE1-CD 3.48Å; E1130-R1146 IonicContact OE1-NE 2.6Å; E1130-R1146 IonicContact OE1-NH1 3.61Å |
| 1131 | E | 94.6 | Very high | 90.9 | Very high | 94 Ų | 94 | 55.2 Ų | 55.2 | 44% | 0.439 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -66.5 | -48.3 | 176.5 | -171.1 | 175.7 | -166.7 | 0 | 0 | 111.8 | M1043 L1127 L1128 A1129 A1133 K1134 V1135 | M1043-E1131 HydrophobicContact CE-CG 3.82Å; M1043-E1131 VanDerWaalsContact CE-OE1 3.31Å; M1043-E1131 WeakPolarHBondContact CE-OE1 3.41Å; M1043-E1131 WeakPolarHBondContact CE-OE2 3.42Å; L1127-E1131 PolarHBondContact O-N 3.32Å; L1128-E1131 PolarHBondContact O-N 3.46Å; A1129-E1131 PolarHBondContact O-N 3.34Å; E1131-A1133 VanDerWaalsContact C-N 3.25Å; E1131-A1133 PolarHBondContact O-N 2.86Å; E1131-K1134 PolarHBondContact O-N 2.95Å; E1131-V1135 HydrophobicContact CG-CG2 4.09Å; E1131-V1135 WeakPolarHBondContact O-CB 3Å; E1131-V1135 WeakPolarHBondContact O-CG2 3.35Å; E1131-V1135 PolarHBondContact O-N 2.82Å |
| 1132 | I | 95.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -57.6 | -41.9 | 175 | -69.3 | 168.5 | 0 | 0 | 0 | 110.5 | M1043 V1045 L1068 T1079 F1096 L1128 A1129 K1136 L1137 | M1043-I1132 HydrophobicContact CB-CG1 4.34Å; M1043-I1132 HydrophobicContact CG-CG1 3.98Å; V1045-I1132 HydrophobicContact CG2-CG2 4.03Å; L1068-I1132 HydrophobicContact CD1-CD1 4.05Å; L1068-I1132 HydrophobicContact CD2-CD1 4.28Å; T1079-I1132 HydrophobicContact CG2-CG2 4.47Å; F1096-I1132 HydrophobicContact CE1-CB 4.36Å; F1096-I1132 HydrophobicContact CE1-CG2 4.25Å; F1096-I1132 HydrophobicContact CZ-CB 4.21Å; F1096-I1132 HydrophobicContact CZ-CG2 4.02Å; L1128-I1132 HydrophobicContact CD1-CD1 4.03Å; L1128-I1132 HydrophobicContact CD1-CG1 4.19Å; L1128-I1132 HydrophobicContact CD2-CD1 4.46Å; L1128-I1132 HydrophobicContact CG-CD1 3.85Å; L1128-I1132 HydrophobicContact CG-CG1 4.42Å; L1128-I1132 VanDerWaalsContact O-CG1 3.29Å; L1128-I1132 WeakPolarHBondContact O-CG1 3.2Å; L1128-I1132 PolarHBondContact O-N 2.89Å; A1129-I1132 PolarHBondContact O-N 3Å; I1132-K1136 HydrophobicContact CG2-CB 4.38Å; I1132-K1136 WeakPolarHBondContact O-CA 3.41Å; I1132-K1136 WeakPolarHBondContact O-CB 3.07Å; I1132-K1136 PolarHBondContact O-N 3.47Å; I1132-L1137 HydrophobicContact CG2-CD1 4.47Å; I1132-L1137 PolarHBondContact O-N 3.09Å |
| 1133 | A | 94.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.271 | C | S | . | . | I | π-helix | trans | -58.9 | -50.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | F1096 L1113 V1115 A1129 E1130 E1131 L1137 N1138 V1144 | F1096-A1133 HydrophobicContact CD1-CB 3.91Å; F1096-A1133 HydrophobicContact CE1-CB 3.91Å; L1113-A1133 HydrophobicContact CD2-CB 3.72Å; L1113-A1133 WeakPolarHBondContact CD2-O 3.05Å; L1113-A1133 HydrophobicContact CG-CB 4.48Å; V1115-A1133 HydrophobicContact CG2-CB 3.48Å; V1115-A1133 VanDerWaalsContact CG2-CB 3.48Å; A1129-A1133 WeakPolarHBondContact O-CB 3.16Å; A1129-A1133 PolarHBondContact O-N 3.22Å; E1130-A1133 WeakPolarHBondContact O-CB 3.24Å; E1130-A1133 PolarHBondContact O-N 3.07Å; E1131-A1133 VanDerWaalsContact C-N 3.25Å; E1131-A1133 PolarHBondContact O-N 2.86Å; A1133-L1137 PolarHBondContact O-N 2.96Å; A1133-N1138 WeakPolarHBondContact O-CB 3.11Å; A1133-N1138 PolarHBondContact O-N 2.97Å; A1133-V1144 HydrophobicContact CB-CG1 3.89Å |
| 1134 | K | 92.4 | Very high | 90.8 | Very high | 113 Ų | 113 | 50.3 Ų | 50.3 | 49% | 0.491 | 26% | 0.261 | S | S | . | . | I | π-helix | trans | -69.7 | -42.6 | -178.1 | -70.1 | 165.9 | -171 | 160.8 | 0 | 112.6 | E1130 E1131 V1144 | E1130-K1134 WeakPolarHBondContact O-CD 3.13Å; E1130-K1134 VanDerWaalsContact O-CG 3.27Å; E1130-K1134 WeakPolarHBondContact O-CG 3.44Å; E1130-K1134 PolarHBondContact O-N 3.37Å; E1130-K1134 IonicContact OE2-NZ 3.23Å; E1130-K1134 PolarHBondContact OE2-NZ 2.97Å; E1131-K1134 PolarHBondContact O-N 2.95Å; K1134-V1144 HydrophobicContact CG-CB 4.49Å; K1134-V1144 HydrophobicContact CG-CG2 4.1Å |
| 1135 | V | 91.1 | Very high | 90.9 | Very high | 83 Ų | 83 | 47.4 Ų | 47.4 | 50% | 0.503 | 25% | 0.247 | S | C | . | . | I | π-helix | trans | -90.2 | -39.6 | -169.6 | 178.6 | 0 | 0 | 0 | 0 | 112.9 | E1131 | E1131-V1135 HydrophobicContact CG-CG2 4.09Å; E1131-V1135 WeakPolarHBondContact O-CB 3Å; E1131-V1135 WeakPolarHBondContact O-CG2 3.35Å; E1131-V1135 PolarHBondContact O-N 2.82Å |
| 1136 | K | 90.7 | Very high | 91.1 | Very high | 32 Ų | 32 | 50.4 Ų | 50.4 | 14% | 0.139 | 25% | 0.253 | C | S | . | . | I | π-helix | trans | -106.3 | -38.1 | -171.6 | -59.2 | -60.5 | -179.1 | -171.5 | 0 | 113.8 | Y929 I931 M1043 V1045 I1132 | Y929-K1136 WeakPolarHBondContact O-CE 3.17Å; Y929-K1136 PolarHBondContact O-NZ 2.88Å; I931-K1136 WeakPolarHBondContact CD1-O 3.36Å; I931-K1136 HydrophobicContact CG1-CD 4.37Å; M1043-K1136 HydrophobicContact CB-CG 4.41Å; V1045-K1136 HydrophobicContact CG2-CB 3.72Å; V1045-K1136 HydrophobicContact CG2-CG 4.18Å; I1132-K1136 HydrophobicContact CG2-CB 4.38Å; I1132-K1136 WeakPolarHBondContact O-CA 3.41Å; I1132-K1136 WeakPolarHBondContact O-CB 3.07Å; I1132-K1136 PolarHBondContact O-N 3.47Å |
| 1137 | L | 89.7 | Confident | 91.1 | Very high | 4 Ų | 4 | 50.8 Ų | 50.8 | 2% | 0.021 | 26% | 0.255 | C | S | . | . | I | π-helix | trans | -94 | -29.6 | -174.9 | -65.2 | 176.2 | 0 | 0 | 0 | 113.6 | V1045 Y1066 F1096 L1113 I1132 A1133 Q1139 | V1045-L1137 HydrophobicContact CG1-CD2 3.72Å; Y1066-L1137 HydrophobicContact CD1-CD2 4.13Å; Y1066-L1137 HydrophobicContact CD2-CD1 4.29Å; Y1066-L1137 HydrophobicContact CD2-CD2 4.33Å; Y1066-L1137 HydrophobicContact CE1-CD2 3.95Å; Y1066-L1137 HydrophobicContact CE2-CD2 4.17Å; Y1066-L1137 HydrophobicContact CG-CD1 4.39Å; Y1066-L1137 HydrophobicContact CG-CD2 4.34Å; F1096-L1137 HydrophobicContact CB-CD1 3.76Å; F1096-L1137 HydrophobicContact CD1-CD1 3.56Å; F1096-L1137 HydrophobicContact CD2-CD1 4.13Å; F1096-L1137 HydrophobicContact CE1-CD1 4.13Å; F1096-L1137 HydrophobicContact CG-CD1 3.55Å; L1113-L1137 HydrophobicContact CD2-CB 4.04Å; I1132-L1137 HydrophobicContact CG2-CD1 4.47Å; I1132-L1137 PolarHBondContact O-N 3.09Å; A1133-L1137 PolarHBondContact O-N 2.96Å; L1137-Q1139 PolarHBondContact O-N 2.89Å; L1137-Q1139 VanDerWaalsContact O-N 3.12Å |
| 1138 | N | 87.7 | Confident | 91.1 | Very high | 23 Ų | 23 | 48.6 Ų | 48.6 | 12% | 0.123 | 25% | 0.25 | C | S | . | . | trans | -88.6 | 59.5 | -173.3 | -164.3 | 20.5 | 0 | 0 | 0 | 114.3 | L1113 A1133 N1140 D1141 W1142 V1144 | L1113-N1138 HydrophobicContact CD2-CB 4.12Å; A1133-N1138 WeakPolarHBondContact O-CB 3.11Å; A1133-N1138 PolarHBondContact O-N 2.97Å; N1138-N1140 PolarHBondContact O-N 2.74Å; N1138-D1141 PolarHBondContact O-N 3.19Å; N1138-D1141 PolarHBondContact OD1-N 3.28Å; N1138-W1142 PolarHBondContact ND2-N 3.12Å; N1138-W1142 PolarHBondContact ND2-O 3.47Å; N1138-W1142 PolarHBondContact OD1-N 2.93Å; N1138-W1142 PolarHBondContact OD1-O 3.25Å; N1138-V1144 HydrophobicContact CB-CG2 4.35Å; N1138-V1144 WeakPolarHBondContact ND2-CG2 3.3Å | ||
| 1139 | Q | 80.5 | Confident | 91.2 | Very high | 98 Ų | 98 | 49 Ų | 49 | 46% | 0.458 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -15.6 | -179.9 | -63.6 | 175.6 | -0.8 | 0 | 0 | 114.6 | L1137 | L1137-Q1139 PolarHBondContact O-N 2.89Å; L1137-Q1139 VanDerWaalsContact O-N 3.12Å |
| 1140 | N | 80.3 | Confident | 91 | Very high | 63 Ų | 63 | 51.6 Ų | 51.6 | 34% | 0.337 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | 9.9 | -175.5 | -59.8 | -41.5 | 0 | 0 | 0 | 113.1 | N1138 W1142 | N1138-N1140 PolarHBondContact O-N 2.74Å; N1140-W1142 HydrophobicContact CB-CD2 4.08Å; N1140-W1142 HydrophobicContact CB-CG 4.07Å; N1140-W1142 HydrophobicContact CB-CZ2 4.17Å; N1140-W1142 VanDerWaalsContact CB-NE1 3.28Å; N1140-W1142 WeakPolarHBondContact ND2-CZ2 3.15Å; N1140-W1142 PolarHBondContact O-N 3.11Å |
| 1141 | D | 84.1 | Confident | 90.9 | Very high | 145 Ų | 145 | 56.1 Ų | 56.1 | 78% | 0.775 | 30% | 0.304 | S | S | * | . | trans | 53.3 | 35.6 | -175.6 | -61.3 | -42.8 | 0 | 0 | 0 | 114.1 | N1138 | N1138-D1141 PolarHBondContact O-N 3.19Å; N1138-D1141 PolarHBondContact OD1-N 3.28Å | ||
| 1142 | W | 89.1 | Confident | 90.9 | Very high | 18 Ų | 18 | 52.7 Ų | 52.7 | 7% | 0.068 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -70.6 | 153.4 | 175.9 | -67.8 | -9.5 | 0 | 0 | 0 | 111.8 | K1098 P1100 R1110 G1111 N1138 N1140 V1144 | K1098-W1142 HydrophobicContact CD-CZ3 4.06Å; K1098-W1142 HydrophobicContact CG-CE3 4.01Å; K1098-W1142 HydrophobicContact CG-CH2 4.49Å; K1098-W1142 HydrophobicContact CG-CZ3 3.47Å; K1098-W1142 VanDerWaalsContact CG-CZ3 3.47Å; P1100-W1142 HydrophobicContact CB-CH2 3.9Å; P1100-W1142 HydrophobicContact CB-CZ3 4.43Å; R1110-W1142 WeakPolarHBondContact O-CZ2 3.06Å; G1111-W1142 WeakPolarHBondContact O-CB 3.34Å; N1138-W1142 PolarHBondContact ND2-N 3.12Å; N1138-W1142 PolarHBondContact ND2-O 3.47Å; N1138-W1142 PolarHBondContact OD1-N 2.93Å; N1138-W1142 PolarHBondContact OD1-O 3.25Å; N1140-W1142 HydrophobicContact CB-CD2 4.08Å; N1140-W1142 HydrophobicContact CB-CG 4.07Å; N1140-W1142 HydrophobicContact CB-CZ2 4.17Å; N1140-W1142 VanDerWaalsContact CB-NE1 3.28Å; N1140-W1142 WeakPolarHBondContact ND2-CZ2 3.15Å; N1140-W1142 PolarHBondContact O-N 3.11Å; W1142-V1144 PolarHBondContact O-N 3.35Å |
| 1143 | P | 90.1 | Very high | 90.8 | Very high | 35 Ų | 35 | 55.2 Ų | 55.2 | 23% | 0.227 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -58.9 | 123.8 | 173 | 21.4 | -32.2 | 0 | 0 | 0 | 111.1 | N1109 G1111 K1112 L1113 | N1109-P1143 HydrophobicContact CB-CG 4.25Å; G1111-P1143 WeakPolarHBondContact O-CD 3.35Å; K1112-P1143 HydrophobicContact CG-CG 4.17Å; L1113-P1143 PolarHBondContact N-O 3.23Å |
| 1144 | V | 93.2 | Very high | 90.6 | Very high | 39 Ų | 39 | 63 Ų | 63 | 24% | 0.236 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 120.5 | 174.6 | -174 | 0 | 0 | 0 | 0 | 109 | L1113 V1115 A1133 K1134 N1138 W1142 | L1113-V1144 HydrophobicContact CB-CG2 4.32Å; L1113-V1144 HydrophobicContact CD2-CG1 4.5Å; L1113-V1144 HydrophobicContact CD2-CG2 4.12Å; L1113-V1144 CarbonylContact O-C 3.31Å; L1113-V1144 VanDerWaalsContact O-CA 3.29Å; L1113-V1144 WeakPolarHBondContact O-CA 3.19Å; V1115-V1144 HydrophobicContact CG2-CG1 3.66Å; A1133-V1144 HydrophobicContact CB-CG1 3.89Å; K1134-V1144 HydrophobicContact CG-CB 4.49Å; K1134-V1144 HydrophobicContact CG-CG2 4.1Å; N1138-V1144 HydrophobicContact CB-CG2 4.35Å; N1138-V1144 WeakPolarHBondContact ND2-CG2 3.3Å; W1142-V1144 PolarHBondContact O-N 3.35Å |
| 1145 | V | 93.4 | Very high | 90.6 | Very high | 49 Ų | 49 | 61.6 Ų | 61.6 | 30% | 0.297 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 115.7 | -176.8 | 178.4 | 0 | 0 | 0 | 0 | 110.5 | K1112 L1113 F1114 V1115 I1147 | K1112-V1145 HydrophobicContact CD-CG2 4.36Å; K1112-V1145 HydrophobicContact CG-CG2 4.31Å; L1113-V1145 PolarHBondContact O-N 2.91Å; F1114-V1145 CarbonylContact C-O 3.45Å; F1114-V1145 WeakPolarHBondContact CA-O 3.34Å; F1114-V1145 HydrophobicContact CD1-CB 3.91Å; F1114-V1145 HydrophobicContact CD1-CG1 4.21Å; F1114-V1145 HydrophobicContact CE1-CB 4.19Å; F1114-V1145 HydrophobicContact CE1-CG1 4.35Å; V1115-V1145 PolarHBondContact N-O 2.81Å; V1145-I1147 HydrophobicContact CG1-CG1 4.22Å |
| 1146 | R | 94.6 | Very high | 90.7 | Very high | 110 Ų | 110 | 57.7 Ų | 57.7 | 42% | 0.415 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 127.7 | 169.5 | -174.3 | -164.6 | 178.8 | 161.1 | -4.6 | 109.4 | V1115 I1117 E1123 E1130 | V1115-R1146 WeakPolarHBondContact O-CA 3.42Å; I1117-R1146 HydrophobicContact CG1-CG 3.99Å; E1123-R1146 IonicContact OE1-CZ 3.71Å; E1123-R1146 IonicContact OE1-NH1 3.41Å; E1123-R1146 PolarHBondContact OE1-NH1 3.39Å; E1123-R1146 IonicContact OE1-NH2 3.92Å; E1123-R1146 PolarHBondContact OE1-NH2 3.45Å; E1123-R1146 IonicContact OE2-NH2 3.8Å; E1123-R1146 PolarHBondContact OE2-NH2 3.26Å; E1130-R1146 VanDerWaalsContact OE1-CD 3.26Å; E1130-R1146 WeakPolarHBondContact OE1-CD 3.48Å; E1130-R1146 IonicContact OE1-NE 2.6Å; E1130-R1146 IonicContact OE1-NH1 3.61Å |
| 1147 | I | 94.5 | Very high | 90.8 | Very high | 8 Ų | 8 | 57.1 Ų | 57.1 | 4% | 0.041 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 123.2 | 174.8 | -62 | 176 | 0 | 0 | 0 | 108.1 | F1114 V1115 W1116 I1117 V1145 E1152 P1153 F1156 | F1114-I1147 HydrophobicContact CB-CD1 3.91Å; F1114-I1147 HydrophobicContact CD1-CD1 3.24Å; F1114-I1147 HydrophobicContact CD1-CG1 4.03Å; F1114-I1147 HydrophobicContact CE1-CD1 3.9Å; F1114-I1147 HydrophobicContact CG-CD1 3.77Å; V1115-I1147 PolarHBondContact O-N 3.03Å; W1116-I1147 CarbonylContact C-O 3.55Å; W1116-I1147 WeakPolarHBondContact CA-O 3.32Å; I1117-I1147 PolarHBondContact N-O 3.01Å; V1145-I1147 HydrophobicContact CG1-CG1 4.22Å; I1147-E1152 HydrophobicContact CG2-CB 4.28Å; I1147-E1152 HydrophobicContact CG2-CG 3.87Å; I1147-P1153 HydrophobicContact CD1-CG 4.07Å; I1147-F1156 HydrophobicContact CD1-CB 4.38Å; I1147-F1156 HydrophobicContact CD1-CD2 4.02Å; I1147-F1156 HydrophobicContact CD1-CG 4.38Å |
| 1148 | A | 94.6 | Very high | 90.9 | Very high | 46 Ų | 46 | 62.7 Ų | 62.7 | 38% | 0.38 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 141 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | G1150 N1151 | A1148-G1150 PolarHBondContact O-N 3.46Å; A1148-N1151 PolarHBondContact O-N 3.38Å |
| 1149 | E | 94.4 | Very high | 91 | Very high | 32 Ų | 32 | 62.2 Ų | 62.2 | 15% | 0.15 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48.8 | 128.8 | 174.3 | 177.8 | 174.3 | -169.1 | 0 | 0 | 111.7 | S1091 W1116 I1117 S1119 E1152 Y1166 | S1091-E1149 WeakPolarHBondContact CA-OE2 3.17Å; S1091-E1149 WeakPolarHBondContact CB-OE2 3.33Å; S1091-E1149 PolarHBondContact OG-OE1 3.24Å; S1091-E1149 PolarHBondContact OG-OE2 2.99Å; W1116-E1149 HydrophobicContact CH2-CB 4.35Å; W1116-E1149 HydrophobicContact CH2-CG 4.35Å; W1116-E1149 HydrophobicContact CZ2-CB 3.68Å; W1116-E1149 HydrophobicContact CZ2-CG 3.64Å; I1117-E1149 PolarHBondContact O-N 2.97Å; S1119-E1149 VanDerWaalsContact CB-OE2 3.24Å; S1119-E1149 WeakPolarHBondContact CB-OE2 3.13Å; S1119-E1149 PolarHBondContact N-OE2 3.38Å; S1119-E1149 PolarHBondContact OG-OE2 3.11Å; E1149-E1152 WeakPolarHBondContact CA-OE1 3.31Å; E1149-Y1166 VanDerWaalsContact OE1-CE2 3.28Å; E1149-Y1166 WeakPolarHBondContact OE1-CE2 3.21Å; E1149-Y1166 PolarHBondContact OE1-OH 3.33Å |
| 1150 | G | 91.3 | Very high | 91.6 | Very high | 56 Ų | 56 | 57.6 Ų | 57.6 | 58% | 0.577 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.5 | -13.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | A1148 E1152 | A1148-G1150 PolarHBondContact O-N 3.46Å; G1150-E1152 VanDerWaalsContact C-OE2 3.24Å; G1150-E1152 VanDerWaalsContact CA-OE2 3.24Å; G1150-E1152 WeakPolarHBondContact CA-OE2 3.33Å; G1150-E1152 PolarHBondContact N-OE1 3.07Å; G1150-E1152 PolarHBondContact N-OE2 2.94Å; G1150-E1152 VanDerWaalsContact N-OE2 3.13Å |
| 1151 | N | 93.7 | Very high | 92 | Very high | 130 Ų | 130 | 57 Ų | 57 | 70% | 0.695 | 33% | 0.326 | S | S | * | . | trans | -110.6 | 28.7 | 177.8 | -65.2 | -41.5 | 0 | 0 | 0 | 112.3 | A1148 | A1148-N1151 PolarHBondContact O-N 3.38Š| ||
| 1152 | E | 94.1 | Very high | 92.3 | Very high | 23 Ų | 23 | 51.4 Ų | 51.4 | 11% | 0.107 | 30% | 0.302 | C | S | . | . | trans | -75.9 | 129.8 | -175.9 | -53.2 | 84.8 | 174.5 | 0 | 0 | 112.3 | W1116 I1147 E1149 G1150 F1156 W1157 | W1116-E1152 PolarHBondContact NE1-OE1 3.19Å; I1147-E1152 HydrophobicContact CG2-CB 4.28Å; I1147-E1152 HydrophobicContact CG2-CG 3.87Å; E1149-E1152 WeakPolarHBondContact CA-OE1 3.31Å; G1150-E1152 VanDerWaalsContact C-OE2 3.24Å; G1150-E1152 VanDerWaalsContact CA-OE2 3.24Å; G1150-E1152 WeakPolarHBondContact CA-OE2 3.33Å; G1150-E1152 PolarHBondContact N-OE1 3.07Å; G1150-E1152 PolarHBondContact N-OE2 2.94Å; G1150-E1152 VanDerWaalsContact N-OE2 3.13Å; E1152-F1156 HydrophobicContact CB-CB 4.46Å; E1152-F1156 HydrophobicContact CB-CD1 3.76Å; E1152-F1156 HydrophobicContact CB-CE1 4.34Å; E1152-F1156 HydrophobicContact CB-CG 4.29Å; E1152-F1156 HydrophobicContact CG-CD1 3.86Å; E1152-F1156 HydrophobicContact CG-CE1 3.93Å; E1152-W1157 HydrophobicContact CB-CZ2 3.79Å; E1152-W1157 HydrophobicContact CG-CH2 4.34Å; E1152-W1157 HydrophobicContact CG-CZ2 3.7Å | ||
| 1153 | P | 92.8 | Very high | 92.5 | Very high | 53 Ų | 53 | 57.6 Ų | 57.6 | 34% | 0.344 | 33% | 0.33 | S | S | . | . | trans | -71.1 | 158.7 | 174.8 | 31.2 | -33.5 | 0 | 0 | 0 | 111.7 | F1114 I1147 M1155 F1156 | F1114-P1153 HydrophobicContact CE1-CG 4.26Å; I1147-P1153 HydrophobicContact CD1-CG 4.07Å; P1153-M1155 VanDerWaalsContact C-N 3.3Å; P1153-M1155 PolarHBondContact O-N 3.34Å; P1153-F1156 HydrophobicContact CG-CB 3.98Å; P1153-F1156 VanDerWaalsContact O-CB 3.32Å; P1153-F1156 WeakPolarHBondContact O-CB 3.21Å; P1153-F1156 PolarHBondContact O-N 3.09Å | ||
| 1154 | E | 91.1 | Very high | 92.6 | Very high | 162 Ų | 162 | 60 Ų | 60 | 76% | 0.757 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -56.6 | -41.5 | 179.6 | -70.1 | -170 | 155.6 | 0 | 0 | 112.9 | F1156 W1157 D1158 | E1154-F1156 PolarHBondContact O-N 3.27Å; E1154-F1156 VanDerWaalsContact O-N 3.14Å; E1154-W1157 WeakPolarHBondContact O-CA 3.26Å; E1154-W1157 WeakPolarHBondContact O-CB 3.07Å; E1154-W1157 PolarHBondContact O-N 2.97Å; E1154-D1158 PolarHBondContact O-N 3.07Å |
| 1155 | M | 91.2 | Very high | 92.5 | Very high | 84 Ų | 84 | 64 Ų | 64 | 41% | 0.414 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -54.4 | -34.5 | 175.7 | -179.9 | -171.9 | -71.4 | 0 | 0 | 113.3 | F1101 F1114 P1153 A1159 | F1101-M1155 HydrophobicContact CE1-CE 4.06Å; F1101-M1155 HydrophobicContact CE1-SD 3.78Å; F1101-M1155 HydrophobicContact CZ-CE 4.11Å; F1101-M1155 HydrophobicContact CZ-SD 3.93Å; F1114-M1155 HydrophobicContact CE2-CG 4.42Å; F1114-M1155 HydrophobicContact CE2-SD 4.1Å; F1114-M1155 HydrophobicContact CZ-CG 4.49Å; F1114-M1155 HydrophobicContact CZ-SD 3.9Å; P1153-M1155 VanDerWaalsContact C-N 3.3Å; P1153-M1155 PolarHBondContact O-N 3.34Å; M1155-A1159 WeakPolarHBondContact O-CB 3.44Å; M1155-A1159 PolarHBondContact O-N 3.13Å |
| 1156 | F | 93.3 | Very high | 92.5 | Very high | 2 Ų | 2 | 63.7 Ų | 63.7 | 1% | 0.009 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65.5 | -44.7 | 176.4 | 172.4 | -90 | 0 | 0 | 0 | 110.6 | L1089 L1097 F1114 W1116 I1147 E1152 P1153 E1154 M1160 | L1089-F1156 HydrophobicContact CD1-CE1 4.07Å; L1089-F1156 HydrophobicContact CD1-CZ 4.16Å; L1097-F1156 HydrophobicContact CB-CD2 4.42Å; L1097-F1156 HydrophobicContact CB-CE2 4.18Å; L1097-F1156 HydrophobicContact CD2-CD2 3.51Å; L1097-F1156 HydrophobicContact CD2-CE2 3.82Å; L1097-F1156 HydrophobicContact CD2-CG 4.17Å; F1114-F1156 HydrophobicContact CB-CD2 4.17Å; F1114-F1156 HydrophobicContact CD2-CD2 4.46Å; F1114-F1156 HydrophobicContact CG-CD2 4.35Å; W1116-F1156 HydrophobicContact CB-CE2 3.94Å; W1116-F1156 HydrophobicContact CB-CZ 4.01Å; W1116-F1156 AromaticContact CD1-CZ 3.6Å; W1116-F1156 HydrophobicContact CG-CE2 4.26Å; W1116-F1156 AromaticContact CG-CZ 3.87Å; W1116-F1156 HydrophobicContact CG-CZ 3.87Å; I1147-F1156 HydrophobicContact CD1-CB 4.38Å; I1147-F1156 HydrophobicContact CD1-CD2 4.02Å; I1147-F1156 HydrophobicContact CD1-CG 4.38Å; E1152-F1156 HydrophobicContact CB-CB 4.46Å; E1152-F1156 HydrophobicContact CB-CD1 3.76Å; E1152-F1156 HydrophobicContact CB-CE1 4.34Å; E1152-F1156 HydrophobicContact CB-CG 4.29Å; E1152-F1156 HydrophobicContact CG-CD1 3.86Å; E1152-F1156 HydrophobicContact CG-CE1 3.93Å; P1153-F1156 HydrophobicContact CG-CB 3.98Å; P1153-F1156 VanDerWaalsContact O-CB 3.32Å; P1153-F1156 WeakPolarHBondContact O-CB 3.21Å; P1153-F1156 PolarHBondContact O-N 3.09Å; E1154-F1156 PolarHBondContact O-N 3.27Å; E1154-F1156 VanDerWaalsContact O-N 3.14Å; F1156-M1160 HydrophobicContact CD1-CG 4.5Å; F1156-M1160 HydrophobicContact CE1-CG 4.15Å; F1156-M1160 HydrophobicContact CE2-CG 4.41Å; F1156-M1160 HydrophobicContact CZ-CG 4.11Å; F1156-M1160 WeakPolarHBondContact O-CB 3.36Å; F1156-M1160 WeakPolarHBondContact O-CG 2.82Å; F1156-M1160 PolarHBondContact O-N 3.43Å; F1156-M1160 VanDerWaalsContact O-N 3.07Å |
| 1157 | W | 94.2 | Very high | 92.3 | Very high | 20 Ų | 20 | 60.5 Ų | 60.5 | 8% | 0.076 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -66.5 | -41.8 | 177.7 | -63.9 | 113.6 | 0 | 0 | 0 | 112 | L1089 E1152 E1154 A1159 M1160 G1161 G1162 K1163 Y1166 | L1089-W1157 HydrophobicContact CD1-CH2 4.3Å; L1089-W1157 HydrophobicContact CD1-CZ3 4Å; E1152-W1157 HydrophobicContact CB-CZ2 3.79Å; E1152-W1157 HydrophobicContact CG-CH2 4.34Å; E1152-W1157 HydrophobicContact CG-CZ2 3.7Å; E1154-W1157 WeakPolarHBondContact O-CA 3.26Å; E1154-W1157 WeakPolarHBondContact O-CB 3.07Å; E1154-W1157 PolarHBondContact O-N 2.97Å; W1157-A1159 PolarHBondContact O-N 3.41Å; W1157-M1160 CarbonylContact O-C 3.51Å; W1157-M1160 PolarHBondContact O-N 3.46Å; W1157-M1160 VanDerWaalsContact O-N 3.15Å; W1157-G1161 PolarHBondContact O-N 3.05Å; W1157-G1162 VanDerWaalsContact O-CA 3.31Å; W1157-G1162 WeakPolarHBondContact O-CA 3.34Å; W1157-G1162 PolarHBondContact O-N 3.03Å; W1157-K1163 HydrophobicContact CB-CB 4.45Å; W1157-K1163 HydrophobicContact CD2-CB 3.84Å; W1157-K1163 HydrophobicContact CD2-CD 4.13Å; W1157-K1163 HydrophobicContact CD2-CG 3.89Å; W1157-K1163 HydrophobicContact CE3-CB 3.85Å; W1157-K1163 HydrophobicContact CE3-CG 3.88Å; W1157-K1163 HydrophobicContact CG-CB 4.11Å; W1157-K1163 HydrophobicContact CH2-CG 4.22Å; W1157-K1163 HydrophobicContact CZ2-CD 4.12Å; W1157-K1163 HydrophobicContact CZ2-CG 4.2Å; W1157-K1163 HydrophobicContact CZ3-CB 4.47Å; W1157-K1163 HydrophobicContact CZ3-CG 4.05Å; W1157-Y1166 AromaticContact CH2-CE1 3.91Å; W1157-Y1166 HydrophobicContact CH2-CE1 3.91Å; W1157-Y1166 HydrophobicContact CZ3-CE1 4.48Å |
| 1158 | D | 90.8 | Very high | 92.1 | Very high | 121 Ų | 121 | 66.8 Ų | 66.8 | 65% | 0.647 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -59.7 | -46.2 | 177.5 | -68.3 | -24.1 | 0 | 0 | 0 | 111.4 | E1154 M1160 G1161 | E1154-D1158 PolarHBondContact O-N 3.07Å; D1158-M1160 VanDerWaalsContact C-N 3.28Å; D1158-M1160 PolarHBondContact O-N 3.09Å; D1158-G1161 PolarHBondContact O-N 3.44Å; D1158-G1161 VanDerWaalsContact O-N 3.17Å |
| 1159 | A | 90.9 | Very high | 91.8 | Very high | 13 Ų | 13 | 67.4 Ų | 67.4 | 11% | 0.107 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -68.2 | -24.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | P1063 L1097 V1099 M1155 W1157 G1161 | P1063-A1159 HydrophobicContact CB-CB 4.08Å; P1063-A1159 HydrophobicContact CG-CB 3.99Å; L1097-A1159 HydrophobicContact CD1-CB 4.39Å; L1097-A1159 HydrophobicContact CD2-CB 3.76Å; L1097-A1159 HydrophobicContact CG-CB 4.33Å; V1099-A1159 HydrophobicContact CG1-CB 4.11Å; V1099-A1159 HydrophobicContact CG2-CB 3.57Å; M1155-A1159 WeakPolarHBondContact O-CB 3.44Å; M1155-A1159 PolarHBondContact O-N 3.13Å; W1157-A1159 PolarHBondContact O-N 3.41Å; A1159-G1161 VanDerWaalsContact C-N 3.33Å |
| 1160 | M | 91.7 | Very high | 91.6 | Very high | 1 Ų | 1 | 66.8 Ų | 66.8 | 1% | 0.005 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 8.7 | 173.8 | -72.3 | -66.9 | -69.6 | 0 | 0 | 114 | C1065 D1085 S1086 L1089 L1097 F1156 W1157 D1158 | C1065-M1160 HydrophobicContact CB-SD 4.21Å; D1085-M1160 WeakPolarHBondContact CA-O 3.39Å; D1085-M1160 WeakPolarHBondContact O-CE 2.96Å; S1086-M1160 PolarHBondContact N-O 3.17Å; L1089-M1160 HydrophobicContact CD1-CE 4.36Å; L1089-M1160 HydrophobicContact CD2-CE 3.94Å; L1089-M1160 HydrophobicContact CG-CE 4.01Å; L1097-M1160 HydrophobicContact CD1-CG 4.3Å; L1097-M1160 HydrophobicContact CD1-SD 3.73Å; L1097-M1160 HydrophobicContact CD2-CG 3.64Å; L1097-M1160 HydrophobicContact CD2-SD 4.09Å; L1097-M1160 HydrophobicContact CG-SD 4.37Å; F1156-M1160 HydrophobicContact CD1-CG 4.5Å; F1156-M1160 HydrophobicContact CE1-CG 4.15Å; F1156-M1160 HydrophobicContact CE2-CG 4.41Å; F1156-M1160 HydrophobicContact CZ-CG 4.11Å; F1156-M1160 WeakPolarHBondContact O-CB 3.36Å; F1156-M1160 WeakPolarHBondContact O-CG 2.82Å; F1156-M1160 PolarHBondContact O-N 3.43Å; F1156-M1160 VanDerWaalsContact O-N 3.07Å; W1157-M1160 CarbonylContact O-C 3.51Å; W1157-M1160 PolarHBondContact O-N 3.46Å; W1157-M1160 VanDerWaalsContact O-N 3.15Å; D1158-M1160 VanDerWaalsContact C-N 3.28Å; D1158-M1160 PolarHBondContact O-N 3.09Å |
| 1161 | G | 89.3 | Confident | 91.5 | Very high | 51 Ų | 51 | 66.6 Ų | 66.6 | 53% | 0.526 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79 | 28.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | W1157 D1158 A1159 | W1157-G1161 PolarHBondContact O-N 3.05Å; D1158-G1161 PolarHBondContact O-N 3.44Å; D1158-G1161 VanDerWaalsContact O-N 3.17Å; A1159-G1161 VanDerWaalsContact C-N 3.33Å |
| 1162 | G | 90.7 | Very high | 91.3 | Very high | 26 Ų | 26 | 60.7 Ų | 60.7 | 27% | 0.268 | 33% | 0.327 | S | S | . | . | S | Bend | trans | 91.6 | 166.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | S1086 W1157 K1164 | S1086-G1162 VanDerWaalsContact CB-O 3.23Å; S1086-G1162 WeakPolarHBondContact CB-O 3.4Å; S1086-G1162 PolarHBondContact OG-O 2.69Å; W1157-G1162 VanDerWaalsContact O-CA 3.31Å; W1157-G1162 WeakPolarHBondContact O-CA 3.34Å; W1157-G1162 PolarHBondContact O-N 3.03Å; G1162-K1164 PolarHBondContact O-N 3.48Å |
| 1163 | K | 92.4 | Very high | 91.1 | Very high | 149 Ų | 149 | 61 Ų | 61 | 65% | 0.648 | 33% | 0.328 | S | S | * | . | trans | -82.2 | 112 | -179.6 | -171.5 | 171.3 | -174.2 | 168.6 | 0 | 111.8 | W1157 | W1157-K1163 HydrophobicContact CB-CB 4.45Å; W1157-K1163 HydrophobicContact CD2-CB 3.84Å; W1157-K1163 HydrophobicContact CD2-CD 4.13Å; W1157-K1163 HydrophobicContact CD2-CG 3.89Å; W1157-K1163 HydrophobicContact CE3-CB 3.85Å; W1157-K1163 HydrophobicContact CE3-CG 3.88Å; W1157-K1163 HydrophobicContact CG-CB 4.11Å; W1157-K1163 HydrophobicContact CH2-CG 4.22Å; W1157-K1163 HydrophobicContact CZ2-CD 4.12Å; W1157-K1163 HydrophobicContact CZ2-CG 4.2Å; W1157-K1163 HydrophobicContact CZ3-CB 4.47Å; W1157-K1163 HydrophobicContact CZ3-CG 4.05Å | ||
| 1164 | K | 92.8 | Very high | 90.8 | Very high | 84 Ų | 84 | 66.4 Ų | 66.4 | 37% | 0.365 | 34% | 0.342 | S | S | . | . | trans | -116.4 | 158.6 | 176.6 | -61.4 | 177.6 | -166.1 | 163.9 | 0 | 111 | D1085 S1086 A1087 G1162 Y1166 | D1085-K1164 VanDerWaalsContact CG-NZ 3.3Å; D1085-K1164 WeakPolarHBondContact OD1-CD 3.07Å; D1085-K1164 WeakPolarHBondContact OD1-CE 3.48Å; D1085-K1164 IonicContact OD1-NZ 3.17Å; D1085-K1164 PolarHBondContact OD1-NZ 3.44Å; D1085-K1164 IonicContact OD2-NZ 2.69Å; D1085-K1164 PolarHBondContact OD2-NZ 2.86Å; S1086-K1164 VanDerWaalsContact OG-CB 3.27Å; S1086-K1164 WeakPolarHBondContact OG-CB 3.48Å; S1086-K1164 WeakPolarHBondContact OG-CG 3.39Å; S1086-K1164 PolarHBondContact OG-N 2.78Å; A1087-K1164 HydrophobicContact CB-CB 4.2Å; A1087-K1164 HydrophobicContact CB-CD 4.11Å; G1162-K1164 PolarHBondContact O-N 3.48Å; K1164-Y1166 WeakPolarHBondContact O-CD1 3.32Å | ||
| 1165 | P | 91.1 | Very high | 90.7 | Very high | 125 Ų | 125 | 61.5 Ų | 61.5 | 81% | 0.812 | 32% | 0.317 | S | S | * | . | trans | -65.5 | 134.8 | 171.1 | 28.1 | -34.5 | 0 | 0 | 0 | 110.5 | ||||
| 1166 | Y | 92.3 | Very high | 90.7 | Very high | 41 Ų | 41 | 57.9 Ų | 57.9 | 16% | 0.161 | 30% | 0.3 | C | S | . | . | trans | -133.5 | 165.7 | -179 | 64.5 | -98.7 | 0 | 0 | 0 | 110.7 | S1086 L1089 W1116 E1149 W1157 K1164 K1168 | S1086-Y1166 WeakPolarHBondContact O-CB 3.48Å; L1089-Y1166 HydrophobicContact CB-CD1 4.26Å; L1089-Y1166 HydrophobicContact CB-CD2 3.87Å; L1089-Y1166 HydrophobicContact CB-CE2 4.46Å; L1089-Y1166 HydrophobicContact CB-CG 3.78Å; L1089-Y1166 HydrophobicContact CD1-CD1 4.45Å; L1089-Y1166 WeakPolarHBondContact O-CB 3.44Å; W1116-Y1166 HydrophobicContact CH2-CE2 4.39Å; W1116-Y1166 HydrophobicContact CZ2-CE2 4.29Å; E1149-Y1166 VanDerWaalsContact OE1-CE2 3.28Å; E1149-Y1166 WeakPolarHBondContact OE1-CE2 3.21Å; E1149-Y1166 PolarHBondContact OE1-OH 3.33Å; W1157-Y1166 AromaticContact CH2-CE1 3.91Å; W1157-Y1166 HydrophobicContact CH2-CE1 3.91Å; W1157-Y1166 HydrophobicContact CZ3-CE1 4.48Å; K1164-Y1166 WeakPolarHBondContact O-CD1 3.32Å; Y1166-K1168 HydrophobicContact CE2-CG 4.36Å | ||
| 1167 | D | 90.4 | Very high | 90.7 | Very high | 44 Ų | 44 | 58.8 Ų | 58.8 | 24% | 0.235 | 30% | 0.303 | C | S | . | . | B | Isolated β-bridge | trans | -81.1 | 122.7 | -169.8 | -166.9 | -6.5 | 0 | 0 | 0 | 111.5 | L1089 N1090 S1091 N1169 K1268 | L1089-D1167 PolarHBondContact O-N 3.43Å; N1090-D1167 WeakPolarHBondContact CA-O 3.4Å; N1090-D1167 PolarHBondContact ND2-O 2.81Å; S1091-D1167 PolarHBondContact N-O 3.26Å; D1167-N1169 PolarHBondContact OD1-N 3.04Å; D1167-N1169 VanDerWaalsContact OD1-N 3.07Å; D1167-K1268 WeakPolarHBondContact OD2-CD 3.07Å; D1167-K1268 IonicContact OD2-NZ 2.79Å; D1167-K1268 PolarHBondContact OD2-NZ 3.17Å |
| 1168 | K | 91.6 | Very high | 90.8 | Very high | 140 Ų | 140 | 57.9 Ų | 57.9 | 61% | 0.609 | 30% | 0.3 | S | S | * | . | trans | -91.5 | 3.7 | -179.3 | -61.9 | -167.3 | 173.3 | -166.8 | 0 | 114.2 | S1091 L1120 Y1166 | S1091-K1168 WeakPolarHBondContact OG-CA 3.4Å; L1120-K1168 WeakPolarHBondContact CD1-O 3.3Å; Y1166-K1168 HydrophobicContact CE2-CG 4.36Å | ||
| 1169 | N | 88.7 | Confident | 91 | Very high | 59 Ų | 59 | 52.1 Ų | 52.1 | 32% | 0.316 | 27% | 0.269 | S | S | . | . | trans | -123 | 136.4 | -177.4 | -169.2 | -5.4 | 0 | 0 | 0 | 111.7 | N1090 D1167 D1171 | N1090-N1169 PolarHBondContact ND2-O 3.5Å; D1167-N1169 PolarHBondContact OD1-N 3.04Å; D1167-N1169 VanDerWaalsContact OD1-N 3.07Å; N1169-D1171 PolarHBondContact ND2-OD2 3.39Å; N1169-D1171 VanDerWaalsContact OD1-CB 3.24Å; N1169-D1171 WeakPolarHBondContact OD1-CB 3.48Å; N1169-D1171 PolarHBondContact OD1-N 3.18Å; N1169-D1171 PolarHBondContact OD1-OD1 2.95Å; N1169-D1171 PolarHBondContact OD1-OD2 3.39Å | ||
| 1170 | A | 89.6 | Confident | 91.1 | Very high | 19 Ų | 19 | 53.8 Ų | 53.8 | 16% | 0.157 | 27% | 0.273 | C | S | . | . | trans | -117.4 | 13.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114 | F1093 F1172 M1173 | F1093-A1170 HydrophobicContact CE2-CB 4.3Å; F1093-A1170 HydrophobicContact CZ-CB 4.21Å; A1170-F1172 HydrophobicContact CB-CE1 4.49Å; A1170-F1172 PolarHBondContact O-N 3.08Å; A1170-M1173 WeakPolarHBondContact O-CB 3.39Å; A1170-M1173 WeakPolarHBondContact O-CG 3.39Å; A1170-M1173 PolarHBondContact O-N 2.97Å | ||
| 1171 | D | 88.5 | Confident | 91.1 | Very high | 51 Ų | 51 | 53.8 Ų | 53.8 | 27% | 0.273 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -52.3 | -32.8 | -178.3 | -77.9 | -21.6 | 0 | 0 | 0 | 113.5 | N1169 M1173 R1174 Y1175 R1250 | N1169-D1171 PolarHBondContact ND2-OD2 3.39Å; N1169-D1171 VanDerWaalsContact OD1-CB 3.24Å; N1169-D1171 WeakPolarHBondContact OD1-CB 3.48Å; N1169-D1171 PolarHBondContact OD1-N 3.18Å; N1169-D1171 PolarHBondContact OD1-OD1 2.95Å; N1169-D1171 PolarHBondContact OD1-OD2 3.39Å; D1171-M1173 PolarHBondContact O-N 3.32Å; D1171-R1174 WeakPolarHBondContact O-CB 3.09Å; D1171-R1174 PolarHBondContact O-N 3.33Å; D1171-Y1175 VanDerWaalsContact O-CD2 3.24Å; D1171-Y1175 WeakPolarHBondContact O-CD2 3.27Å; D1171-R1250 IonicContact OD2-NH1 2.78Å; D1171-R1250 IonicContact OD2-NH2 3.2Å |
| 1172 | F | 90.6 | Very high | 91 | Very high | 7 Ų | 7 | 51.7 Ų | 51.7 | 3% | 0.031 | 25% | 0.25 | C | C | . | . | G | 310 helix | trans | -54.1 | -29.9 | -179.9 | 67.8 | -90.8 | 0 | 0 | 0 | 112.2 | F1093 A1170 R1174 Y1175 C1176 N1212 K1268 | F1093-F1172 HydrophobicContact CE2-CZ 4.16Å; F1093-F1172 HydrophobicContact CZ-CZ 4.18Å; A1170-F1172 HydrophobicContact CB-CE1 4.49Å; A1170-F1172 PolarHBondContact O-N 3.08Å; F1172-R1174 PolarHBondContact O-N 3.38Å; F1172-Y1175 PolarHBondContact O-N 3.27Å; F1172-C1176 WeakPolarHBondContact O-CB 3.28Å; F1172-C1176 PolarHBondContact O-N 2.93Å; F1172-C1176 PolarHBondContact O-SG 3.33Å; F1172-N1212 WeakPolarHBondContact CA-O 3.31Å; F1172-N1212 HydrophobicContact CB-CB 4.38Å; F1172-N1212 WeakPolarHBondContact CB-O 3.37Å; F1172-K1268 HydrophobicContact CD1-CD 4.27Å; F1172-K1268 HydrophobicContact CE1-CD 4.14Å; F1172-K1268 WeakPolarHBondContact CE2-O 3.49Å |
| 1173 | M | 89 | Confident | 90.4 | Very high | 28 Ų | 28 | 53.7 Ų | 53.7 | 14% | 0.138 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -55.9 | -35 | 175.7 | -70.4 | -61.8 | -73.7 | 0 | 0 | 112.8 | R888 M891 R1069 A1070 N1071 F1093 A1170 D1171 Y1175 | R888-M1173 PolarHBondContact NH2-O 3.42Å; M891-M1173 WeakPolarHBondContact CE-O 2.93Å; R1069-M1173 HydrophobicContact CG-CE 4.48Å; R1069-M1173 PolarHBondContact NH2-SD 2.93Å; A1070-M1173 WeakPolarHBondContact O-CE 3.43Å; N1071-M1173 HydrophobicContact CB-CE 4.46Å; N1071-M1173 WeakPolarHBondContact OD1-CE 3.49Å; F1093-M1173 HydrophobicContact CE1-CE 4.48Å; F1093-M1173 HydrophobicContact CE1-CG 4.28Å; F1093-M1173 HydrophobicContact CZ-CG 3.82Å; F1093-M1173 HydrophobicContact CZ-SD 4.12Å; A1170-M1173 WeakPolarHBondContact O-CB 3.39Å; A1170-M1173 WeakPolarHBondContact O-CG 3.39Å; A1170-M1173 PolarHBondContact O-N 2.97Å; D1171-M1173 PolarHBondContact O-N 3.32Å; M1173-Y1175 VanDerWaalsContact C-N 3.3Å; M1173-Y1175 PolarHBondContact O-N 3.09Å |
| 1174 | R | 86.7 | Confident | 89.6 | Confident | 168 Ų | 168 | 52 Ų | 52 | 63% | 0.634 | 25% | 0.248 | S | C | * | . | G | 310 helix | trans | -74.9 | -18 | -179.6 | -62.2 | -179.6 | 179.5 | 170.6 | 0.1 | 113.5 | M891 D1171 F1172 | M891-R1174 HydrophobicContact CE-CG 4.44Å; D1171-R1174 WeakPolarHBondContact O-CB 3.09Å; D1171-R1174 PolarHBondContact O-N 3.33Å; F1172-R1174 PolarHBondContact O-N 3.38Å |
| 1175 | Y | 89.2 | Confident | 88.5 | Confident | 59 Ų | 59 | 55 Ų | 55 | 23% | 0.231 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.5 | -13.8 | -172.7 | -56.6 | -79.6 | 0 | 0 | 0 | 113.9 | D1171 F1172 M1173 R1177 | D1171-Y1175 VanDerWaalsContact O-CD2 3.24Å; D1171-Y1175 WeakPolarHBondContact O-CD2 3.27Å; F1172-Y1175 PolarHBondContact O-N 3.27Å; M1173-Y1175 VanDerWaalsContact C-N 3.3Å; M1173-Y1175 PolarHBondContact O-N 3.09Å; Y1175-R1177 PolarHBondContact O-N 3.01Å |
| 1176 | C | 91.9 | Very high | 87.2 | Confident | 7 Ų | 7 | 52 Ų | 52 | 5% | 0.047 | 25% | 0.253 | C | S | . | . | trans | -58.9 | 129.7 | -173.9 | -93.6 | 0 | 0 | 0 | 0 | 112.3 | R888 F1172 F1197 D1211 | R888-C1176 PolarHBondContact NE-O 2.94Å; F1172-C1176 WeakPolarHBondContact O-CB 3.28Å; F1172-C1176 PolarHBondContact O-N 2.93Å; F1172-C1176 PolarHBondContact O-SG 3.33Å; C1176-F1197 HydrophobicContact CB-CE1 4.22Å; C1176-F1197 HydrophobicContact CB-CZ 4.05Å; C1176-D1211 CarbonylContact C-O 3.54Å; C1176-D1211 WeakPolarHBondContact CA-O 3.24Å | ||
| 1177 | R | 93.3 | Very high | 86.2 | Confident | 22 Ų | 22 | 53.3 Ų | 53.3 | 8% | 0.083 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 134.7 | 173.5 | -62 | 176.9 | 75.5 | -179.3 | 7.5 | 109.1 | S883 L886 R888 Y1175 F1179 E1192 L1210 D1211 | S883-R1177 PolarHBondContact O-NH2 3.2Å; L886-R1177 PolarHBondContact O-NH1 3.32Å; L886-R1177 PolarHBondContact O-NH2 2.85Å; R888-R1177 HydrophobicContact CG-CG 4.07Å; Y1175-R1177 PolarHBondContact O-N 3.01Å; R1177-F1179 HydrophobicContact CB-CD2 4.47Å; R1177-F1179 HydrophobicContact CB-CE2 3.71Å; R1177-F1179 HydrophobicContact CB-CZ 4.06Å; R1177-F1179 VanDerWaalsContact CZ-CZ 3.47Å; R1177-E1192 IonicContact CZ-OE1 3.65Å; R1177-E1192 IonicContact CZ-OE2 2.83Å; R1177-E1192 IonicContact NE-OE1 3.79Å; R1177-E1192 PolarHBondContact NE-OE1 3.1Å; R1177-E1192 IonicContact NE-OE2 2.76Å; R1177-E1192 IonicContact NH2-OE1 2.93Å; R1177-E1192 PolarHBondContact NH2-OE1 3.45Å; R1177-E1192 IonicContact NH2-OE2 3.85Å; R1177-E1192 PolarHBondContact NH2-OE2 3.37Å; R1177-L1210 WeakPolarHBondContact O-CA 3.36Å; R1177-D1211 HydrophobicContact CB-CB 4.42Å; R1177-D1211 PolarHBondContact N-O 3.41Å; R1177-D1211 PolarHBondContact O-N 3Å |
| 1178 | L | 94.6 | Very high | 85.8 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 129.9 | 177 | -177.9 | 71.6 | 0 | 0 | 0 | 108.9 | K1193 F1197 D1201 L1202 M1208 F1209 L1210 F1270 | L1178-K1193 HydrophobicContact CB-CB 4.2Å; L1178-K1193 HydrophobicContact CD2-CB 4.18Å; L1178-K1193 HydrophobicContact CD2-CG 4.12Å; L1178-K1193 HydrophobicContact CG-CB 4.32Å; L1178-K1193 HydrophobicContact CG-CG 4.34Å; L1178-K1193 PolarHBondContact O-N 3.43Å; L1178-F1197 HydrophobicContact CB-CB 4.36Å; L1178-F1197 HydrophobicContact CB-CD1 3.75Å; L1178-F1197 HydrophobicContact CB-CD2 4.17Å; L1178-F1197 HydrophobicContact CB-CE1 4.05Å; L1178-F1197 HydrophobicContact CB-CE2 4.45Å; L1178-F1197 HydrophobicContact CB-CG 3.83Å; L1178-F1197 HydrophobicContact CB-CZ 4.39Å; L1178-F1197 HydrophobicContact CD2-CB 3.69Å; L1178-F1197 HydrophobicContact CD2-CD2 3.83Å; L1178-F1197 HydrophobicContact CD2-CG 3.78Å; L1178-F1197 HydrophobicContact CG-CG 4.45Å; L1178-D1201 HydrophobicContact CD2-CB 4.08Å; L1178-L1202 HydrophobicContact CD1-CD2 4.42Å; L1178-M1208 HydrophobicContact CD1-CB 4.31Å; L1178-M1208 HydrophobicContact CD1-CE 4.07Å; L1178-M1208 HydrophobicContact CD2-CE 3.92Å; L1178-M1208 HydrophobicContact CG-CE 3.91Å; L1178-F1209 CarbonylContact C-O 3.56Å; L1178-F1209 WeakPolarHBondContact CA-O 3.46Å; L1178-L1210 HydrophobicContact CB-CD1 4.44Å; L1178-L1210 HydrophobicContact CD1-CB 4.22Å; L1178-L1210 HydrophobicContact CD1-CD1 4.2Å; L1178-F1270 HydrophobicContact CD1-CZ 4.38Å; L1178-F1270 HydrophobicContact CD2-CE1 4.34Å |
| 1179 | F | 94.9 | Very high | 85.5 | Confident | 1 Ų | 1 | 45 Ų | 45 | 0% | 0.004 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 144.1 | 176.6 | -52.9 | -94.8 | 0 | 0 | 0 | 110.6 | S883 L884 R1177 V1190 S1191 E1192 M1208 F1209 Y1239 | S883-F1179 WeakPolarHBondContact O-CE1 3.26Å; L884-F1179 HydrophobicContact CD2-CD1 3.89Å; L884-F1179 HydrophobicContact CD2-CD2 4.22Å; L884-F1179 HydrophobicContact CD2-CE1 3.93Å; L884-F1179 HydrophobicContact CD2-CE2 4.24Å; L884-F1179 HydrophobicContact CD2-CG 4.03Å; L884-F1179 HydrophobicContact CD2-CZ 4.07Å; R1177-F1179 HydrophobicContact CB-CD2 4.47Å; R1177-F1179 HydrophobicContact CB-CE2 3.71Å; R1177-F1179 HydrophobicContact CB-CZ 4.06Å; R1177-F1179 VanDerWaalsContact CZ-CZ 3.47Å; F1179-V1190 HydrophobicContact CB-CG1 3.85Å; F1179-V1190 HydrophobicContact CD1-CG1 4.19Å; F1179-V1190 HydrophobicContact CG-CG1 4.33Å; F1179-S1191 CarbonylContact C-O 3.39Å; F1179-S1191 WeakPolarHBondContact CA-O 3.48Å; F1179-E1192 HydrophobicContact CD1-CB 3.67Å; F1179-E1192 HydrophobicContact CD1-CG 4.07Å; F1179-E1192 HydrophobicContact CE1-CB 3.74Å; F1179-E1192 HydrophobicContact CE1-CG 3.89Å; F1179-M1208 CarbonylContact O-C 3.53Å; F1179-M1208 VanDerWaalsContact O-CA 3.26Å; F1179-M1208 WeakPolarHBondContact O-CA 2.99Å; F1179-F1209 HydrophobicContact CB-CB 4.09Å; F1179-F1209 HydrophobicContact CB-CD2 3.92Å; F1179-F1209 HydrophobicContact CD2-CB 3.99Å; F1179-F1209 HydrophobicContact CG-CB 4.5Å; F1179-F1209 PolarHBondContact N-O 3.4Å; F1179-F1209 PolarHBondContact O-N 3.22Å; F1179-Y1239 HydrophobicContact CE2-CE2 4.04Å; F1179-Y1239 AromaticContact CE2-CZ 3.99Å; F1179-Y1239 AromaticContact CZ-CE2 3.89Å; F1179-Y1239 HydrophobicContact CZ-CE2 3.89Å |
| 1180 | R | 94.2 | Very high | 85.6 | Confident | 48 Ų | 48 | 42.2 Ų | 42.2 | 18% | 0.181 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 130.2 | 172.9 | -179.3 | 176.4 | 178.6 | -164.4 | -4.3 | 110.2 | E1184 V1190 S1191 D1203 D1206 M1208 | R1180-E1184 IonicContact CZ-OE2 3.58Å; R1180-E1184 IonicContact NH2-OE1 2.86Å; R1180-E1184 PolarHBondContact NH2-OE1 3.29Å; R1180-E1184 IonicContact NH2-OE2 2.66Å; R1180-E1184 PolarHBondContact NH2-OE2 3.04Å; R1180-V1190 WeakPolarHBondContact O-CA 3.17Å; R1180-S1191 PolarHBondContact N-O 3.11Å; R1180-S1191 PolarHBondContact O-N 2.92Å; R1180-D1203 IonicContact CZ-OD2 3.95Å; R1180-D1203 IonicContact NH2-OD2 3.18Å; R1180-D1203 PolarHBondContact NH2-OD2 2.83Å; R1180-D1206 HydrophobicContact CG-CB 4.48Å; R1180-D1206 IonicContact CZ-OD2 3.74Å; R1180-D1206 IonicContact NE-OD2 3.57Å; R1180-D1206 PolarHBondContact NE-OD2 3.02Å; R1180-D1206 IonicContact NH2-OD2 2.81Å; R1180-D1206 PolarHBondContact NH2-OD2 2.91Å; R1180-M1208 HydrophobicContact CB-CE 3.97Å; R1180-M1208 HydrophobicContact CB-SD 3.67Å; R1180-M1208 HydrophobicContact CG-SD 3.74Å |
| 1181 | C | 91.5 | Very high | 85.7 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 112.9 | 176.3 | -51 | 0 | 0 | 0 | 0 | 109.8 | F1188 V1207 F1209 S1232 | C1181-F1188 HydrophobicContact CB-CE2 3.91Å; C1181-F1188 HydrophobicContact CB-CZ 3.92Å; C1181-V1207 WeakPolarHBondContact CA-O 3.48Å; C1181-V1207 HydrophobicContact CB-CB 4.3Å; C1181-V1207 WeakPolarHBondContact CB-O 3.1Å; C1181-V1207 PolarHBondContact N-O 3.05Å; C1181-V1207 PolarHBondContact O-N 3.39Å; C1181-F1209 WeakPolarHBondContact SG-CD2 3.42Å; C1181-F1209 WeakPolarHBondContact SG-CE2 3.13Å; C1181-F1209 VanDerWaalsContact SG-CZ 3.54Å; C1181-S1232 WeakPolarHBondContact CB-OG 3.24Å |
| 1182 | T | 86.5 | Confident | 85.9 | Confident | 8 Ų | 8 | 43.8 Ų | 43.8 | 5% | 0.049 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 155.2 | -174.7 | -173 | 0 | 0 | 0 | 0 | 111.2 | E1184 V1189 D1206 | T1182-E1184 HydrophobicContact CG2-CB 4.4Å; T1182-E1184 VanDerWaalsContact OG1-CG 3.29Å; T1182-E1184 WeakPolarHBondContact OG1-CG 2.97Å; T1182-E1184 PolarHBondContact OG1-N 3.46Å; T1182-E1184 VanDerWaalsContact OG1-N 3.16Å; T1182-V1189 HydrophobicContact CG2-CG1 3.63Å; T1182-V1189 PolarHBondContact N-O 2.84Å; T1182-V1189 VanDerWaalsContact N-O 3.16Å; T1182-V1189 PolarHBondContact O-N 3.46Å; T1182-D1206 WeakPolarHBondContact CA-OD1 3.46Å; T1182-D1206 VanDerWaalsContact CB-CG 3.48Å; T1182-D1206 WeakPolarHBondContact CB-OD1 3.16Å; T1182-D1206 WeakPolarHBondContact CB-OD2 3.11Å; T1182-D1206 PolarHBondContact OG1-OD1 3.23Å; T1182-D1206 PolarHBondContact OG1-OD2 2.89Å |
| 1183 | N | 79.1 | Confident | 85.9 | Confident | 67 Ų | 67 | 46.3 Ų | 46.3 | 36% | 0.358 | 22% | 0.224 | S | C | . | . | trans | -105.3 | 6.1 | 168.3 | 70.9 | 31.7 | 0 | 0 | 0 | 113.7 | K1185 G1186 E1228 | N1183-K1185 PolarHBondContact O-N 3.46Å; N1183-G1186 WeakPolarHBondContact O-CA 3.34Å; N1183-G1186 PolarHBondContact O-N 3.33Å; N1183-E1228 HydrophobicContact CB-CG 4.34Å; N1183-E1228 PolarHBondContact N-OE1 3.12Å; N1183-E1228 VanDerWaalsContact N-OE1 3.11Å; N1183-E1228 VanDerWaalsContact ND2-CD 3.35Å; N1183-E1228 PolarHBondContact ND2-OE1 3.05Å; N1183-E1228 PolarHBondContact OD1-OE1 2.84Å | ||
| 1184 | E | 74 | Confident | 85.8 | Confident | 114 Ų | 114 | 49.2 Ų | 49.2 | 53% | 0.533 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52 | -34.4 | -174.2 | -82.3 | 177.5 | 175.8 | 0 | 0 | 114.2 | R1180 T1182 G1186 | R1180-E1184 IonicContact CZ-OE2 3.58Å; R1180-E1184 IonicContact NH2-OE1 2.86Å; R1180-E1184 PolarHBondContact NH2-OE1 3.29Å; R1180-E1184 IonicContact NH2-OE2 2.66Å; R1180-E1184 PolarHBondContact NH2-OE2 3.04Å; T1182-E1184 HydrophobicContact CG2-CB 4.4Å; T1182-E1184 VanDerWaalsContact OG1-CG 3.29Å; T1182-E1184 WeakPolarHBondContact OG1-CG 2.97Å; T1182-E1184 PolarHBondContact OG1-N 3.46Å; T1182-E1184 VanDerWaalsContact OG1-N 3.16Å; E1184-G1186 PolarHBondContact O-N 2.88Å; E1184-G1186 VanDerWaalsContact O-N 3.13Å |
| 1185 | K | 71.5 | Confident | 85.8 | Confident | 147 Ų | 147 | 42.5 Ų | 42.5 | 64% | 0.639 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75 | 6.8 | 178.3 | -65.3 | -172.8 | 180 | 177.6 | 0 | 114 | N1183 Y1187 V1189 | N1183-K1185 PolarHBondContact O-N 3.46Å; K1185-Y1187 VanDerWaalsContact C-N 3.26Å; K1185-Y1187 HydrophobicContact CB-CD1 4.11Å; K1185-Y1187 HydrophobicContact CB-CE1 3.79Å; K1185-Y1187 WeakPolarHBondContact O-CD1 3.4Å; K1185-Y1187 PolarHBondContact O-N 3.4Å; K1185-V1189 HydrophobicContact CD-CG1 4.37Å |
| 1186 | G | 63.1 | Low | 85.8 | Confident | 62 Ų | 62 | 40.6 Ų | 40.6 | 64% | 0.639 | 21% | 0.214 | S | C | * | . | S | Bend | trans | 81.4 | 2.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | N1183 E1184 | N1183-G1186 WeakPolarHBondContact O-CA 3.34Å; N1183-G1186 PolarHBondContact O-N 3.33Å; E1184-G1186 PolarHBondContact O-N 2.88Å; E1184-G1186 VanDerWaalsContact O-N 3.13Å |
| 1187 | Y | 71.6 | Confident | 85.9 | Confident | 69 Ų | 69 | 40.6 Ų | 40.6 | 27% | 0.271 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -151 | 158 | 176.6 | 71.4 | -94.6 | 0 | 0 | 0 | 109.8 | K878 D880 K1185 V1189 | K878-Y1187 HydrophobicContact CB-CD1 4.49Å; K878-Y1187 HydrophobicContact CB-CD2 3.97Å; K878-Y1187 HydrophobicContact CB-CG 3.95Å; K878-Y1187 VanDerWaalsContact O-CB 3.25Å; K878-Y1187 WeakPolarHBondContact O-CB 3.3Å; K878-Y1187 VanDerWaalsContact O-CD2 3.31Å; K878-Y1187 WeakPolarHBondContact O-CD2 3.22Å; D880-Y1187 HydrophobicContact CB-CE2 4.07Å; K1185-Y1187 VanDerWaalsContact C-N 3.26Å; K1185-Y1187 HydrophobicContact CB-CD1 4.11Å; K1185-Y1187 HydrophobicContact CB-CE1 3.79Å; K1185-Y1187 WeakPolarHBondContact O-CD1 3.4Å; K1185-Y1187 PolarHBondContact O-N 3.4Å; Y1187-V1189 HydrophobicContact CD2-CB 4.5Å; Y1187-V1189 HydrophobicContact CE2-CB 4.03Å; Y1187-V1189 PolarHBondContact O-N 2.95Å |
| 1188 | F | 81.7 | Confident | 85.8 | Confident | 4 Ų | 4 | 39.6 Ų | 39.6 | 2% | 0.018 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 118.1 | -174.7 | -179.8 | -96.9 | 0 | 0 | 0 | 110.7 | T879 D880 L881 C1181 V1190 L1231 S1232 A1235 | T879-F1188 WeakPolarHBondContact CA-O 3.38Å; T879-F1188 HydrophobicContact CG2-CB 4.01Å; T879-F1188 HydrophobicContact CG2-CD1 4.09Å; D880-F1188 PolarHBondContact N-O 2.86Å; L881-F1188 HydrophobicContact CD2-CD1 4.22Å; L881-F1188 HydrophobicContact CD2-CE1 3.89Å; C1181-F1188 HydrophobicContact CB-CE2 3.91Å; C1181-F1188 HydrophobicContact CB-CZ 3.92Å; F1188-V1190 HydrophobicContact CE1-CG2 3.74Å; F1188-V1190 HydrophobicContact CZ-CG2 4.04Å; F1188-L1231 HydrophobicContact CB-CD1 3.82Å; F1188-L1231 HydrophobicContact CD1-CB 4.2Å; F1188-L1231 HydrophobicContact CD2-CB 3.74Å; F1188-L1231 HydrophobicContact CD2-CD1 3.87Å; F1188-L1231 HydrophobicContact CD2-CG 4.47Å; F1188-L1231 HydrophobicContact CE1-CB 4.13Å; F1188-L1231 HydrophobicContact CE2-CB 3.66Å; F1188-L1231 HydrophobicContact CG-CB 4.01Å; F1188-L1231 HydrophobicContact CG-CD1 3.84Å; F1188-L1231 HydrophobicContact CZ-CB 3.88Å; F1188-S1232 WeakPolarHBondContact CE2-OG 3.45Å; F1188-A1235 HydrophobicContact CE1-CB 4.17Å; F1188-A1235 HydrophobicContact CZ-CB 4.47Å |
| 1189 | V | 86.2 | Confident | 85.6 | Confident | 6 Ų | 6 | 39.6 Ų | 39.6 | 4% | 0.036 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 140.1 | -178.3 | 58.7 | 0 | 0 | 0 | 0 | 110.4 | D880 T1182 K1185 Y1187 | D880-V1189 HydrophobicContact CB-CB 4.47Å; D880-V1189 HydrophobicContact CB-CG2 4.03Å; T1182-V1189 HydrophobicContact CG2-CG1 3.63Å; T1182-V1189 PolarHBondContact N-O 2.84Å; T1182-V1189 VanDerWaalsContact N-O 3.16Å; T1182-V1189 PolarHBondContact O-N 3.46Å; K1185-V1189 HydrophobicContact CD-CG1 4.37Å; Y1187-V1189 HydrophobicContact CD2-CB 4.5Å; Y1187-V1189 HydrophobicContact CE2-CB 4.03Å; Y1187-V1189 PolarHBondContact O-N 2.95Å |
| 1190 | V | 90.8 | Very high | 85.3 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 123.3 | 170.1 | -175.6 | 0 | 0 | 0 | 0 | 108.7 | D880 L881 S883 L884 F1179 R1180 F1188 F1209 | D880-V1190 PolarHBondContact O-N 3.39Å; L881-V1190 HydrophobicContact CD2-CB 4.29Å; L881-V1190 HydrophobicContact CD2-CG2 3.56Å; S883-V1190 VanDerWaalsContact CB-O 3.28Å; S883-V1190 WeakPolarHBondContact CB-O 3.11Å; S883-V1190 PolarHBondContact OG-O 3.04Å; L884-V1190 HydrophobicContact CD1-CB 4.5Å; L884-V1190 HydrophobicContact CD1-CG1 4.3Å; L884-V1190 HydrophobicContact CD1-CG2 4.4Å; L884-V1190 HydrophobicContact CD2-CG1 3.73Å; L884-V1190 HydrophobicContact CG-CB 4.3Å; L884-V1190 HydrophobicContact CG-CG1 3.8Å; F1179-V1190 HydrophobicContact CB-CG1 3.85Å; F1179-V1190 HydrophobicContact CD1-CG1 4.19Å; F1179-V1190 HydrophobicContact CG-CG1 4.33Å; R1180-V1190 WeakPolarHBondContact O-CA 3.17Å; F1188-V1190 HydrophobicContact CE1-CG2 3.74Å; F1188-V1190 HydrophobicContact CZ-CG2 4.04Å; V1190-F1209 HydrophobicContact CG1-CD2 4.27Å; V1190-F1209 HydrophobicContact CG1-CE2 4.19Å; V1190-F1209 HydrophobicContact CG2-CE2 4.23Å |
| 1191 | S | 90.5 | Very high | 85.2 | Confident | 46 Ų | 46 | 39.9 Ų | 39.9 | 32% | 0.322 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 136.9 | 177.7 | 53.5 | 0 | 0 | 0 | 0 | 110 | F1179 R1180 | F1179-S1191 CarbonylContact C-O 3.39Å; F1179-S1191 WeakPolarHBondContact CA-O 3.48Å; R1180-S1191 PolarHBondContact N-O 3.11Å; R1180-S1191 PolarHBondContact O-N 2.92Å |
| 1192 | E | 93 | Very high | 85.2 | Confident | 56 Ų | 56 | 40 Ų | 40 | 26% | 0.262 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 135.3 | 173.4 | -175.1 | 163.8 | -161.1 | 0 | 0 | 109.9 | R1177 F1179 | R1177-E1192 IonicContact CZ-OE1 3.65Å; R1177-E1192 IonicContact CZ-OE2 2.83Å; R1177-E1192 IonicContact NE-OE1 3.79Å; R1177-E1192 PolarHBondContact NE-OE1 3.1Å; R1177-E1192 IonicContact NE-OE2 2.76Å; R1177-E1192 IonicContact NH2-OE1 2.93Å; R1177-E1192 PolarHBondContact NH2-OE1 3.45Å; R1177-E1192 IonicContact NH2-OE2 3.85Å; R1177-E1192 PolarHBondContact NH2-OE2 3.37Å; F1179-E1192 HydrophobicContact CD1-CB 3.67Å; F1179-E1192 HydrophobicContact CD1-CG 4.07Å; F1179-E1192 HydrophobicContact CE1-CB 3.74Å; F1179-E1192 HydrophobicContact CE1-CG 3.89Å |
| 1193 | K | 91.2 | Very high | 85.3 | Confident | 61 Ų | 61 | 41.5 Ų | 41.5 | 27% | 0.265 | 22% | 0.223 | S | C | . | . | P | Polyproline II helix | trans | -83.3 | 155 | 169.2 | -72.4 | -71.9 | -167.5 | 151.2 | 0 | 109.4 | L1178 F1197 D1201 M1208 | L1178-K1193 HydrophobicContact CB-CB 4.2Å; L1178-K1193 HydrophobicContact CD2-CB 4.18Å; L1178-K1193 HydrophobicContact CD2-CG 4.12Å; L1178-K1193 HydrophobicContact CG-CB 4.32Å; L1178-K1193 HydrophobicContact CG-CG 4.34Å; L1178-K1193 PolarHBondContact O-N 3.43Å; K1193-F1197 HydrophobicContact CB-CB 4.45Å; K1193-D1201 IonicContact NZ-OD1 3.48Å; K1193-D1201 PolarHBondContact NZ-OD1 3.5Å; K1193-M1208 HydrophobicContact CG-CE 4.48Å |
| 1194 | T | 86.5 | Confident | 85.6 | Confident | 88 Ų | 88 | 39.7 Ų | 39.7 | 54% | 0.54 | 21% | 0.213 | S | C | . | . | P | Polyproline II helix | trans | -56.4 | 157 | 176.6 | 53.5 | 0 | 0 | 0 | 0 | 111.6 | D1196 F1197 | T1194-D1196 PolarHBondContact O-N 2.93Å; T1194-F1197 WeakPolarHBondContact O-CD1 3.26Å; T1194-F1197 PolarHBondContact O-N 2.62Å |
| 1195 | I | 87.1 | Confident | 86.1 | Confident | 27 Ų | 27 | 38.9 Ų | 38.9 | 14% | 0.138 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -56.9 | -35.6 | 177.5 | -67.7 | 170.3 | 0 | 0 | 0 | 112.1 | Q889 N1071 F1197 | Q889-I1195 HydrophobicContact CB-CD1 3.5Å; Q889-I1195 HydrophobicContact CB-CG1 4.18Å; Q889-I1195 VanDerWaalsContact O-CD1 3.31Å; Q889-I1195 WeakPolarHBondContact O-CD1 3.14Å; N1071-I1195 HydrophobicContact CB-CG2 4.46Å; I1195-F1197 WeakPolarHBondContact O-CD1 3.4Å; I1195-F1197 PolarHBondContact O-N 3.33Å |
| 1196 | D | 89.2 | Confident | 87 | Confident | 20 Ų | 20 | 32 Ų | 32 | 11% | 0.107 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -83 | 51.6 | 177.3 | -168.4 | 37.6 | 0 | 0 | 0 | 112.7 | N1071 C1076 R1078 T1194 | N1071-D1196 HydrophobicContact CB-CB 4.14Å; N1071-D1196 WeakPolarHBondContact CB-OD1 3.41Å; N1071-D1196 PolarHBondContact ND2-OD1 2.57Å; C1076-D1196 HydrophobicContact CB-CB 4.46Å; R1078-D1196 IonicContact CZ-OD2 2.6Å; R1078-D1196 VanDerWaalsContact CZ-OD2 3.25Å; R1078-D1196 IonicContact NH1-OD1 2.8Å; R1078-D1196 PolarHBondContact NH1-OD1 3.16Å; R1078-D1196 IonicContact NH1-OD2 2.65Å; R1078-D1196 PolarHBondContact NH1-OD2 3.43Å; R1078-D1196 IonicContact NH2-OD2 2.64Å; R1078-D1196 PolarHBondContact NH2-OD2 2.93Å; T1194-D1196 PolarHBondContact O-N 2.93Å |
| 1197 | F | 93.1 | Very high | 88.4 | Confident | 6 Ų | 6 | 29 Ų | 29 | 3% | 0.026 | 15% | 0.149 | C | C | . | . | trans | -78.3 | 152.1 | 178.3 | 61.2 | -98.6 | 0 | 0 | 0 | 112.3 | C1176 L1178 K1193 T1194 I1195 L1210 F1270 | C1176-F1197 HydrophobicContact CB-CE1 4.22Å; C1176-F1197 HydrophobicContact CB-CZ 4.05Å; L1178-F1197 HydrophobicContact CB-CB 4.36Å; L1178-F1197 HydrophobicContact CB-CD1 3.75Å; L1178-F1197 HydrophobicContact CB-CD2 4.17Å; L1178-F1197 HydrophobicContact CB-CE1 4.05Å; L1178-F1197 HydrophobicContact CB-CE2 4.45Å; L1178-F1197 HydrophobicContact CB-CG 3.83Å; L1178-F1197 HydrophobicContact CB-CZ 4.39Å; L1178-F1197 HydrophobicContact CD2-CB 3.69Å; L1178-F1197 HydrophobicContact CD2-CD2 3.83Å; L1178-F1197 HydrophobicContact CD2-CG 3.78Å; L1178-F1197 HydrophobicContact CG-CG 4.45Å; K1193-F1197 HydrophobicContact CB-CB 4.45Å; T1194-F1197 WeakPolarHBondContact O-CD1 3.26Å; T1194-F1197 PolarHBondContact O-N 2.62Å; I1195-F1197 WeakPolarHBondContact O-CD1 3.4Å; I1195-F1197 PolarHBondContact O-N 3.33Å; F1197-L1210 HydrophobicContact CE2-CD1 4.01Å; F1197-L1210 HydrophobicContact CZ-CD1 3.8Å; F1197-F1270 AromaticContact CD2-CD1 3.75Å; F1197-F1270 HydrophobicContact CD2-CD1 3.75Å; F1197-F1270 AromaticContact CD2-CE1 3.6Å; F1197-F1270 HydrophobicContact CD2-CE1 3.6Å; F1197-F1270 HydrophobicContact CD2-CZ 4.42Å; F1197-F1270 AromaticContact CE2-CD1 3.88Å; F1197-F1270 HydrophobicContact CE2-CD1 3.88Å; F1197-F1270 AromaticContact CE2-CE1 3.78Å; F1197-F1270 HydrophobicContact CE2-CE1 3.78Å; F1197-F1270 HydrophobicContact CE2-CG 4.44Å; F1197-F1270 HydrophobicContact CE2-CZ 4.22Å | ||
| 1198 | C | 91.7 | Very high | 89.4 | Confident | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.007 | 14% | 0.137 | C | C | . | . | trans | -124.9 | 174 | -177.2 | 72.1 | 0 | 0 | 0 | 0 | 112.8 | Q1030 D1200 D1201 F1270 | Q1030-C1198 HydrophobicContact CB-CB 3.57Å; C1198-D1200 PolarHBondContact O-N 2.71Å; C1198-D1201 PolarHBondContact N-OD2 3.06Å; C1198-D1201 WeakPolarHBondContact O-CB 3.47Å; C1198-D1201 PolarHBondContact O-N 3.27Å; C1198-D1201 PolarHBondContact SG-OD2 3.49Å; C1198-F1270 WeakPolarHBondContact O-CD1 3.26Å; C1198-F1270 WeakPolarHBondContact O-CE1 3.3Å | ||
| 1199 | Q | 91.1 | Very high | 89.8 | Confident | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | G | 310 helix | trans | -62.8 | -31.3 | 178.1 | -174.8 | 177.8 | 12 | 0 | 0 | 111.9 | D1201 L1202 W1273 G1274 H1276 | Q1199-D1201 PolarHBondContact O-N 2.97Å; Q1199-L1202 WeakPolarHBondContact O-CB 3.31Å; Q1199-L1202 WeakPolarHBondContact O-CG 3.3Å; Q1199-L1202 PolarHBondContact O-N 3.49Å; Q1199-W1273 HydrophobicContact CB-CE3 4.24Å; Q1199-W1273 HydrophobicContact CB-CZ3 4.37Å; Q1199-W1273 HydrophobicContact CG-CD2 4.21Å; Q1199-W1273 HydrophobicContact CG-CE3 3.77Å; Q1199-W1273 HydrophobicContact CG-CH2 4.07Å; Q1199-W1273 HydrophobicContact CG-CZ2 4.48Å; Q1199-W1273 HydrophobicContact CG-CZ3 3.69Å; Q1199-W1273 VanDerWaalsContact NE2-CD2 3.34Å; Q1199-W1273 VanDerWaalsContact NE2-CZ2 3.32Å; Q1199-G1274 PolarHBondContact NE2-O 3.26Å; Q1199-H1276 HydrophobicContact CG-CB 4.16Å |
| 1200 | D | 88.8 | Confident | 90.1 | Very high | 35 Ų | 35 | 25.5 Ų | 25.5 | 19% | 0.187 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -75 | -10.9 | -179.6 | -61.2 | -49.2 | 0 | 0 | 0 | 113.4 | R996 C1198 L1202 H1276 | R996-D1200 IonicContact CZ-OD1 3.23Å; R996-D1200 IonicContact CZ-OD2 3.98Å; R996-D1200 IonicContact NE-OD1 2.83Å; R996-D1200 PolarHBondContact NE-OD1 3.27Å; R996-D1200 IonicContact NE-OD2 2.8Å; R996-D1200 PolarHBondContact NE-OD2 3.01Å; R996-D1200 IonicContact NH2-OD1 3.25Å; R996-D1200 IonicContact NH2-OD2 3.04Å; R996-D1200 PolarHBondContact NH2-OD2 3.46Å; C1198-D1200 PolarHBondContact O-N 2.71Å; D1200-L1202 PolarHBondContact O-N 3.43Å; D1200-H1276 IonicContact OD1-CD2 2.86Å |
| 1201 | D | 91.2 | Very high | 90.3 | Very high | 20 Ų | 20 | 25.6 Ų | 25.6 | 11% | 0.107 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -71.6 | -12.1 | 169.1 | -76.4 | -66 | 0 | 0 | 0 | 113 | L1178 K1193 C1198 Q1199 D1203 M1208 | L1178-D1201 HydrophobicContact CD2-CB 4.08Å; K1193-D1201 IonicContact NZ-OD1 3.48Å; K1193-D1201 PolarHBondContact NZ-OD1 3.5Å; C1198-D1201 PolarHBondContact N-OD2 3.06Å; C1198-D1201 WeakPolarHBondContact O-CB 3.47Å; C1198-D1201 PolarHBondContact O-N 3.27Å; C1198-D1201 PolarHBondContact SG-OD2 3.49Å; Q1199-D1201 PolarHBondContact O-N 2.97Å; D1201-D1203 PolarHBondContact O-N 2.83Å; D1201-M1208 VanDerWaalsContact O-CE 3.31Å; D1201-M1208 WeakPolarHBondContact O-CE 3.34Å |
| 1202 | L | 91.5 | Very high | 90.3 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | trans | -75.9 | 120 | 173 | -61.2 | 177.7 | 0 | 0 | 0 | 110.3 | L1178 Q1199 D1200 M1208 W1219 F1266 F1270 W1273 K1277 | L1178-L1202 HydrophobicContact CD1-CD2 4.42Å; Q1199-L1202 WeakPolarHBondContact O-CB 3.31Å; Q1199-L1202 WeakPolarHBondContact O-CG 3.3Å; Q1199-L1202 PolarHBondContact O-N 3.49Å; D1200-L1202 PolarHBondContact O-N 3.43Å; L1202-M1208 HydrophobicContact CD2-CB 4.1Å; L1202-M1208 HydrophobicContact CD2-CG 3.88Å; L1202-W1219 HydrophobicContact CB-CH2 3.83Å; L1202-W1219 HydrophobicContact CB-CZ2 4.02Å; L1202-W1219 HydrophobicContact CB-CZ3 4.09Å; L1202-W1219 HydrophobicContact CD1-CZ2 4.33Å; L1202-W1219 HydrophobicContact CD2-CD2 4.16Å; L1202-W1219 HydrophobicContact CD2-CE3 4.14Å; L1202-W1219 HydrophobicContact CD2-CZ3 4.48Å; L1202-F1266 HydrophobicContact CD1-CE1 4.11Å; L1202-F1266 HydrophobicContact CD1-CZ 4.31Å; L1202-F1266 HydrophobicContact CD2-CZ 4.37Å; L1202-F1270 HydrophobicContact CD1-CE1 4.4Å; L1202-F1270 HydrophobicContact CD1-CZ 4.14Å; L1202-F1270 HydrophobicContact CD2-CE1 4.32Å; L1202-F1270 HydrophobicContact CD2-CZ 4.01Å; L1202-F1270 HydrophobicContact CG-CE1 4.27Å; L1202-F1270 HydrophobicContact CG-CZ 4.27Å; L1202-W1273 HydrophobicContact CD1-CH2 3.67Å; L1202-W1273 HydrophobicContact CD1-CZ3 3.82Å; L1202-K1277 PolarHBondContact O-NZ 2.05Å | ||
| 1203 | D | 88.5 | Confident | 90.1 | Very high | 41 Ų | 41 | 21 Ų | 21 | 22% | 0.219 | 11% | 0.109 | C | C | . | . | trans | -101.9 | 127.8 | -176.8 | -161 | -30.6 | 0 | 0 | 0 | 111.9 | R1180 D1201 E1205 D1206 W1219 | R1180-D1203 IonicContact CZ-OD2 3.95Å; R1180-D1203 IonicContact NH2-OD2 3.18Å; R1180-D1203 PolarHBondContact NH2-OD2 2.83Å; D1201-D1203 PolarHBondContact O-N 2.83Å; D1203-E1205 PolarHBondContact O-N 3.32Å; D1203-E1205 PolarHBondContact OD1-N 3.05Å; D1203-D1206 HydrophobicContact CB-CB 4.26Å; D1203-D1206 PolarHBondContact O-N 3Å; D1203-W1219 WeakPolarHBondContact O-CH2 3.45Å; D1203-W1219 WeakPolarHBondContact O-CZ3 3.37Å | ||
| 1204 | D | 86.3 | Confident | 90 | Very high | 28 Ų | 28 | 21.4 Ų | 21.4 | 15% | 0.15 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -20.1 | -178.9 | -71.4 | -15.6 | 0 | 0 | 0 | 112.9 | G1221 A1222 K1223 K1259 | D1204-G1221 CarbonylContact O-C 3.58Å; D1204-G1221 VanDerWaalsContact O-C 3.26Å; D1204-G1221 WeakPolarHBondContact O-CA 3.48Å; D1204-A1222 PolarHBondContact O-N 2.95Å; D1204-K1223 WeakPolarHBondContact O-CA 3.4Å; D1204-K1223 WeakPolarHBondContact O-CB 3.15Å; D1204-K1223 PolarHBondContact O-N 3.17Å; D1204-K1259 WeakPolarHBondContact OD1-CD 3.48Å; D1204-K1259 WeakPolarHBondContact OD1-CE 3.28Å; D1204-K1259 IonicContact OD1-NZ 2.73Å; D1204-K1259 PolarHBondContact OD1-NZ 2.95Å; D1204-K1259 IonicContact OD2-NZ 3.78Å; D1204-K1259 PolarHBondContact OD2-NZ 3.23Å |
| 1205 | E | 84.4 | Confident | 90.2 | Very high | 98 Ų | 98 | 18.2 Ų | 18.2 | 46% | 0.458 | 9% | 0.093 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -14.4 | -178 | -58 | -166.9 | 171.6 | 0 | 0 | 113.2 | D1203 K1223 S1224 | D1203-E1205 PolarHBondContact O-N 3.32Å; D1203-E1205 PolarHBondContact OD1-N 3.05Å; E1205-K1223 HydrophobicContact CG-CB 4.32Å; E1205-K1223 HydrophobicContact CG-CD 4.32Å; E1205-S1224 VanDerWaalsContact O-CA 3.31Å; E1205-S1224 WeakPolarHBondContact O-CA 3.3Å |
| 1206 | D | 89.5 | Confident | 90.5 | Very high | 2 Ų | 2 | 17 Ų | 17 | 1% | 0.011 | 9% | 0.087 | C | C | . | . | S | Bend | trans | -123.5 | 172 | -172.4 | -74 | -42.6 | 0 | 0 | 0 | 113.4 | R1180 T1182 D1203 G1221 S1224 | R1180-D1206 HydrophobicContact CG-CB 4.48Å; R1180-D1206 IonicContact CZ-OD2 3.74Å; R1180-D1206 IonicContact NE-OD2 3.57Å; R1180-D1206 PolarHBondContact NE-OD2 3.02Å; R1180-D1206 IonicContact NH2-OD2 2.81Å; R1180-D1206 PolarHBondContact NH2-OD2 2.91Å; T1182-D1206 WeakPolarHBondContact CA-OD1 3.46Å; T1182-D1206 VanDerWaalsContact CB-CG 3.48Å; T1182-D1206 WeakPolarHBondContact CB-OD1 3.16Å; T1182-D1206 WeakPolarHBondContact CB-OD2 3.11Å; T1182-D1206 PolarHBondContact OG1-OD1 3.23Å; T1182-D1206 PolarHBondContact OG1-OD2 2.89Å; D1203-D1206 HydrophobicContact CB-CB 4.26Å; D1203-D1206 PolarHBondContact O-N 3Å; D1206-G1221 PolarHBondContact O-N 3.12Å; D1206-S1224 VanDerWaalsContact C-OG 3.26Å; D1206-S1224 PolarHBondContact O-OG 3.36Å |
| 1207 | V | 92.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 134 | 173.4 | -178.2 | 0 | 0 | 0 | 0 | 109 | C1181 L1218 W1219 E1228 I1229 | C1181-V1207 WeakPolarHBondContact CA-O 3.48Å; C1181-V1207 HydrophobicContact CB-CB 4.3Å; C1181-V1207 WeakPolarHBondContact CB-O 3.1Å; C1181-V1207 PolarHBondContact N-O 3.05Å; C1181-V1207 PolarHBondContact O-N 3.39Å; V1207-L1218 HydrophobicContact CG1-CD1 3.31Å; V1207-L1218 HydrophobicContact CG1-CD2 4.48Å; V1207-L1218 HydrophobicContact CG1-CG 3.76Å; V1207-W1219 CarbonylContact C-O 3.56Å; V1207-W1219 WeakPolarHBondContact CA-O 3.32Å; V1207-W1219 WeakPolarHBondContact CG1-O 3.31Å; V1207-E1228 HydrophobicContact CG2-CB 4.03Å; V1207-I1229 HydrophobicContact CG2-CG1 3.81Å |
| 1208 | M | 93.7 | Very high | 90.7 | Very high | 1 Ų | 1 | 16.5 Ų | 16.5 | 1% | 0.005 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 139.8 | 179.7 | -54.2 | -67.3 | -73.8 | 0 | 0 | 110.4 | L1178 F1179 R1180 K1193 D1201 L1202 W1219 | L1178-M1208 HydrophobicContact CD1-CB 4.31Å; L1178-M1208 HydrophobicContact CD1-CE 4.07Å; L1178-M1208 HydrophobicContact CD2-CE 3.92Å; L1178-M1208 HydrophobicContact CG-CE 3.91Å; F1179-M1208 CarbonylContact O-C 3.53Å; F1179-M1208 VanDerWaalsContact O-CA 3.26Å; F1179-M1208 WeakPolarHBondContact O-CA 2.99Å; R1180-M1208 HydrophobicContact CB-CE 3.97Å; R1180-M1208 HydrophobicContact CB-SD 3.67Å; R1180-M1208 HydrophobicContact CG-SD 3.74Å; K1193-M1208 HydrophobicContact CG-CE 4.48Å; D1201-M1208 VanDerWaalsContact O-CE 3.31Å; D1201-M1208 WeakPolarHBondContact O-CE 3.34Å; L1202-M1208 HydrophobicContact CD2-CB 4.1Å; L1202-M1208 HydrophobicContact CD2-CG 3.88Å; M1208-W1219 HydrophobicContact CB-CB 4.35Å; M1208-W1219 HydrophobicContact CB-CE3 3.92Å; M1208-W1219 HydrophobicContact CG-CE3 3.61Å; M1208-W1219 HydrophobicContact CG-CZ3 3.9Å; M1208-W1219 PolarHBondContact N-O 2.84Å; M1208-W1219 PolarHBondContact O-N 3.36Å |
| 1209 | F | 88.4 | Confident | 90.8 | Very high | 3 Ų | 3 | 16.5 Ų | 16.5 | 1% | 0.013 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 130.3 | 166.5 | -57.6 | -66.4 | 0 | 0 | 0 | 110.1 | L884 L1178 F1179 C1181 V1190 Y1217 L1218 S1232 A1235 A1236 | L884-F1209 HydrophobicContact CD2-CD2 4.33Å; L884-F1209 HydrophobicContact CD2-CE2 4.44Å; L1178-F1209 CarbonylContact C-O 3.56Å; L1178-F1209 WeakPolarHBondContact CA-O 3.46Å; F1179-F1209 HydrophobicContact CB-CB 4.09Å; F1179-F1209 HydrophobicContact CB-CD2 3.92Å; F1179-F1209 HydrophobicContact CD2-CB 3.99Å; F1179-F1209 HydrophobicContact CG-CB 4.5Å; F1179-F1209 PolarHBondContact N-O 3.4Å; F1179-F1209 PolarHBondContact O-N 3.22Å; C1181-F1209 WeakPolarHBondContact SG-CD2 3.42Å; C1181-F1209 WeakPolarHBondContact SG-CE2 3.13Å; C1181-F1209 VanDerWaalsContact SG-CZ 3.54Å; V1190-F1209 HydrophobicContact CG1-CD2 4.27Å; V1190-F1209 HydrophobicContact CG1-CE2 4.19Å; V1190-F1209 HydrophobicContact CG2-CE2 4.23Å; F1209-Y1217 CarbonylContact C-O 3.46Å; F1209-Y1217 WeakPolarHBondContact CA-O 3.2Å; F1209-L1218 HydrophobicContact CD1-CD1 3.43Å; F1209-L1218 VanDerWaalsContact CD1-CD1 3.43Å; F1209-L1218 HydrophobicContact CE1-CD1 3.24Å; F1209-L1218 HydrophobicContact CZ-CD1 4.27Å; F1209-S1232 WeakPolarHBondContact CE1-O 3.41Å; F1209-S1232 WeakPolarHBondContact CZ-O 3.36Å; F1209-A1235 HydrophobicContact CE2-CB 4.06Å; F1209-A1235 HydrophobicContact CZ-CB 3.73Å; F1209-A1236 HydrophobicContact CD1-CB 3.81Å; F1209-A1236 HydrophobicContact CE1-CB 3.23Å; F1209-A1236 HydrophobicContact CZ-CB 4.01Å |
| 1210 | L | 94.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 111.1 | 169.1 | 177.3 | 73 | 0 | 0 | 0 | 109.5 | R1177 L1178 F1197 V1216 Y1217 F1266 C1269 F1270 | R1177-L1210 WeakPolarHBondContact O-CA 3.36Å; L1178-L1210 HydrophobicContact CB-CD1 4.44Å; L1178-L1210 HydrophobicContact CD1-CB 4.22Å; L1178-L1210 HydrophobicContact CD1-CD1 4.2Å; F1197-L1210 HydrophobicContact CE2-CD1 4.01Å; F1197-L1210 HydrophobicContact CZ-CD1 3.8Å; L1210-V1216 CarbonylContact O-C 3.11Å; L1210-V1216 WeakPolarHBondContact O-CA 3.21Å; L1210-Y1217 PolarHBondContact N-O 2.91Å; L1210-Y1217 PolarHBondContact O-N 3.23Å; L1210-F1266 HydrophobicContact CB-CD2 4.38Å; L1210-F1266 HydrophobicContact CB-CE2 3.87Å; L1210-F1266 HydrophobicContact CD2-CD2 3.45Å; L1210-F1266 VanDerWaalsContact CD2-CD2 3.45Å; L1210-F1266 HydrophobicContact CD2-CE2 3.51Å; L1210-F1266 HydrophobicContact CD2-CG 4.08Å; L1210-F1266 HydrophobicContact CD2-CZ 4.19Å; L1210-F1266 HydrophobicContact CG-CE2 4.37Å; L1210-C1269 HydrophobicContact CD1-CB 4.2Å; L1210-C1269 HydrophobicContact CD2-CB 3.78Å; L1210-C1269 HydrophobicContact CG-CB 4.49Å; L1210-F1270 HydrophobicContact CD2-CE2 3.82Å; L1210-F1270 HydrophobicContact CD2-CZ 4.27Å |
| 1211 | D | 93.8 | Very high | 90.6 | Very high | 2 Ų | 2 | 15.5 Ų | 15.5 | 1% | 0.011 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 129.2 | 165.5 | -173.6 | -3.1 | 0 | 0 | 0 | 108.1 | C1176 R1177 G1213 V1216 Y1239 R1252 | C1176-D1211 CarbonylContact C-O 3.54Å; C1176-D1211 WeakPolarHBondContact CA-O 3.24Å; R1177-D1211 HydrophobicContact CB-CB 4.42Å; R1177-D1211 PolarHBondContact N-O 3.41Å; R1177-D1211 PolarHBondContact O-N 3Å; D1211-G1213 PolarHBondContact OD1-N 2.89Å; D1211-V1216 HydrophobicContact CB-CG2 4.14Å; D1211-Y1239 HydrophobicContact CB-CE1 3.95Å; D1211-Y1239 WeakPolarHBondContact OD2-CE1 3.23Å; D1211-Y1239 PolarHBondContact OD2-OH 3.1Å; D1211-R1252 IonicContact OD1-NE 2.77Å; D1211-R1252 IonicContact OD2-NE 3.27Å; D1211-R1252 IonicContact OD2-NH2 3.84Å |
| 1212 | N | 91.7 | Very high | 90.2 | Very high | 5 Ų | 5 | 18.4 Ų | 18.4 | 3% | 0.027 | 11% | 0.108 | C | C | . | . | trans | -113.1 | 9.6 | 175.3 | 76.1 | 1.3 | 0 | 0 | 0 | 113.6 | F1172 D1214 Q1215 | F1172-N1212 WeakPolarHBondContact CA-O 3.31Å; F1172-N1212 HydrophobicContact CB-CB 4.38Å; F1172-N1212 WeakPolarHBondContact CB-O 3.37Å; N1212-D1214 PolarHBondContact O-N 3.12Å; N1212-D1214 PolarHBondContact OD1-N 3.29Å; N1212-Q1215 PolarHBondContact N-O 3Å; N1212-Q1215 PolarHBondContact OD1-N 2.98Å; N1212-Q1215 PolarHBondContact OD1-O 2.79Å | ||
| 1213 | G | 88.9 | Confident | 89.7 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.138 | C | C | . | . | S | Bend | trans | 93.8 | -31.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | D1211 R1250 R1252 | D1211-G1213 PolarHBondContact OD1-N 2.89Å; G1213-R1250 VanDerWaalsContact O-CD 3.3Å; G1213-R1250 WeakPolarHBondContact O-CD 3.48Å; G1213-R1250 WeakPolarHBondContact O-CG 3.35Å; G1213-R1250 PolarHBondContact O-NE 2.8Å; G1213-R1252 WeakPolarHBondContact O-CD 3.33Å; G1213-R1252 PolarHBondContact O-NE 3.4Å; G1213-R1252 VanDerWaalsContact O-NE 3.07Å |
| 1214 | D | 88.5 | Confident | 89.2 | Confident | 70 Ų | 70 | 24.3 Ų | 24.3 | 37% | 0.374 | 13% | 0.134 | S | C | . | . | S | Bend | trans | -106.3 | -30.3 | 176.9 | -63.8 | -33.9 | 0 | 0 | 0 | 112.1 | N1212 R1250 R1252 K1253 | N1212-D1214 PolarHBondContact O-N 3.12Å; N1212-D1214 PolarHBondContact OD1-N 3.29Å; D1214-R1250 IonicContact OD1-CZ 2.73Å; D1214-R1250 IonicContact OD1-NE 3.01Å; D1214-R1250 PolarHBondContact OD1-NE 3.11Å; D1214-R1250 IonicContact OD1-NH2 2.74Å; D1214-R1250 PolarHBondContact OD1-NH2 3.01Å; D1214-R1250 IonicContact OD2-NH2 3.37Å; D1214-R1250 PolarHBondContact OD2-NH2 2.76Å; D1214-R1252 WeakPolarHBondContact O-CA 3.16Å; D1214-K1253 PolarHBondContact O-N 3.25Å |
| 1215 | Q | 91 | Very high | 88.8 | Confident | 22 Ų | 22 | 24.8 Ų | 24.8 | 10% | 0.103 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 143.8 | -168.9 | -62 | -179.8 | -33.1 | 0 | 0 | 109.7 | N1212 Y1217 K1253 F1255 | N1212-Q1215 PolarHBondContact N-O 3Å; N1212-Q1215 PolarHBondContact OD1-N 2.98Å; N1212-Q1215 PolarHBondContact OD1-O 2.79Å; Q1215-Y1217 HydrophobicContact CB-CD2 4.31Å; Q1215-Y1217 HydrophobicContact CB-CE2 3.73Å; Q1215-Y1217 PolarHBondContact OE1-OH 2.91Å; Q1215-K1253 CarbonylContact C-O 3.55Å; Q1215-K1253 WeakPolarHBondContact CA-O 3.31Å; Q1215-F1255 HydrophobicContact CB-CD2 4.12Å; Q1215-F1255 HydrophobicContact CB-CE2 4.33Å; Q1215-F1255 HydrophobicContact CG-CD2 4.15Å; Q1215-F1255 HydrophobicContact CG-CE2 3.86Å; Q1215-F1255 VanDerWaalsContact NE2-CE2 3.26Å |
| 1216 | V | 92.8 | Very high | 88.4 | Confident | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.006 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 124.4 | 171.1 | 178.3 | 0 | 0 | 0 | 0 | 107.6 | L1210 D1211 Y1239 V1240 R1252 K1253 L1254 F1255 | L1210-V1216 CarbonylContact O-C 3.11Å; L1210-V1216 WeakPolarHBondContact O-CA 3.21Å; D1211-V1216 HydrophobicContact CB-CG2 4.14Å; V1216-Y1239 HydrophobicContact CG2-CD1 4.15Å; V1216-Y1239 HydrophobicContact CG2-CE1 3.98Å; V1216-V1240 HydrophobicContact CB-CG2 3.95Å; V1216-V1240 HydrophobicContact CG1-CG2 4.38Å; V1216-V1240 HydrophobicContact CG2-CG2 3.75Å; V1216-R1252 HydrophobicContact CG2-CB 4.04Å; V1216-R1252 HydrophobicContact CG2-CG 3.83Å; V1216-K1253 PolarHBondContact N-O 3.5Å; V1216-L1254 HydrophobicContact CB-CD1 4.14Å; V1216-L1254 HydrophobicContact CG1-CD1 3.89Å; V1216-L1254 CarbonylContact O-C 3.52Å; V1216-L1254 WeakPolarHBondContact O-CA 3.15Å; V1216-F1255 PolarHBondContact O-N 2.97Å |
| 1217 | Y | 93.3 | Very high | 87.6 | Confident | 13 Ų | 13 | 28.2 Ų | 28.2 | 5% | 0.051 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 127 | 177.8 | -70.6 | -95.7 | 0 | 0 | 0 | 110.2 | F1209 L1210 Q1215 F1255 T1257 R1265 F1266 | F1209-Y1217 CarbonylContact C-O 3.46Å; F1209-Y1217 WeakPolarHBondContact CA-O 3.2Å; L1210-Y1217 PolarHBondContact N-O 2.91Å; L1210-Y1217 PolarHBondContact O-N 3.23Å; Q1215-Y1217 HydrophobicContact CB-CD2 4.31Å; Q1215-Y1217 HydrophobicContact CB-CE2 3.73Å; Q1215-Y1217 PolarHBondContact OE1-OH 2.91Å; Y1217-F1255 CarbonylContact C-O 3.27Å; Y1217-F1255 WeakPolarHBondContact CA-O 3.15Å; Y1217-F1255 HydrophobicContact CD1-CB 3.87Å; Y1217-F1255 HydrophobicContact CE1-CB 3.99Å; Y1217-F1255 HydrophobicContact CE1-CG 4.47Å; Y1217-F1255 HydrophobicContact CG-CB 4.49Å; Y1217-T1257 HydrophobicContact CD1-CG2 4.34Å; Y1217-R1265 WeakPolarHBondContact OH-CB 3.2Å; Y1217-F1266 HydrophobicContact CD1-CB 4.35Å; Y1217-F1266 HydrophobicContact CD1-CD2 4Å; Y1217-F1266 HydrophobicContact CD2-CD2 4.2Å; Y1217-F1266 HydrophobicContact CE1-CB 4.3Å; Y1217-F1266 AromaticContact CG-CD2 3.69Å; Y1217-F1266 HydrophobicContact CG-CD2 3.69Å; Y1217-F1266 HydrophobicContact CG-CE2 4.47Å |
| 1218 | L | 93.2 | Very high | 87.1 | Confident | 3 Ų | 3 | 28.6 Ų | 28.6 | 2% | 0.016 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 101.3 | 164.4 | -168.2 | 66.4 | 0 | 0 | 0 | 108 | V1207 F1209 F1233 F1255 F1256 T1257 | V1207-L1218 HydrophobicContact CG1-CD1 3.31Å; V1207-L1218 HydrophobicContact CG1-CD2 4.48Å; V1207-L1218 HydrophobicContact CG1-CG 3.76Å; F1209-L1218 HydrophobicContact CD1-CD1 3.43Å; F1209-L1218 VanDerWaalsContact CD1-CD1 3.43Å; F1209-L1218 HydrophobicContact CE1-CD1 3.24Å; F1209-L1218 HydrophobicContact CZ-CD1 4.27Å; L1218-F1233 HydrophobicContact CD2-CB 4.18Å; L1218-F1233 HydrophobicContact CD2-CD2 4.43Å; L1218-F1255 PolarHBondContact N-O 2.96Å; L1218-F1256 HydrophobicContact CB-CD2 4.1Å; L1218-F1256 HydrophobicContact CD2-CD2 3.96Å; L1218-F1256 HydrophobicContact CD2-CE2 4.39Å; L1218-F1256 HydrophobicContact CG-CD2 4.1Å; L1218-F1256 WeakPolarHBondContact O-CA 3.46Å; L1218-T1257 PolarHBondContact O-N 2.79Å; L1218-T1257 VanDerWaalsContact O-O 3.12Å |
| 1219 | W | 93.8 | Very high | 86.6 | Confident | 1 Ų | 1 | 31.1 Ų | 31.1 | 0% | 0.004 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 122.1 | 175.5 | -179.8 | 97.8 | 0 | 0 | 0 | 109.2 | L1202 D1203 V1207 M1208 T1257 K1259 E1262 F1266 | L1202-W1219 HydrophobicContact CB-CH2 3.83Å; L1202-W1219 HydrophobicContact CB-CZ2 4.02Å; L1202-W1219 HydrophobicContact CB-CZ3 4.09Å; L1202-W1219 HydrophobicContact CD1-CZ2 4.33Å; L1202-W1219 HydrophobicContact CD2-CD2 4.16Å; L1202-W1219 HydrophobicContact CD2-CE3 4.14Å; L1202-W1219 HydrophobicContact CD2-CZ3 4.48Å; D1203-W1219 WeakPolarHBondContact O-CH2 3.45Å; D1203-W1219 WeakPolarHBondContact O-CZ3 3.37Å; V1207-W1219 CarbonylContact C-O 3.56Å; V1207-W1219 WeakPolarHBondContact CA-O 3.32Å; V1207-W1219 WeakPolarHBondContact CG1-O 3.31Å; M1208-W1219 HydrophobicContact CB-CB 4.35Å; M1208-W1219 HydrophobicContact CB-CE3 3.92Å; M1208-W1219 HydrophobicContact CG-CE3 3.61Å; M1208-W1219 HydrophobicContact CG-CZ3 3.9Å; M1208-W1219 PolarHBondContact N-O 2.84Å; M1208-W1219 PolarHBondContact O-N 3.36Å; W1219-T1257 VanDerWaalsContact CA-O 3.29Å; W1219-T1257 WeakPolarHBondContact CA-O 3.39Å; W1219-T1257 HydrophobicContact CB-CG2 3.87Å; W1219-T1257 HydrophobicContact CG-CG2 4.16Å; W1219-K1259 HydrophobicContact CZ2-CB 3.86Å; W1219-K1259 HydrophobicContact CZ2-CD 4.39Å; W1219-K1259 HydrophobicContact CZ2-CG 4.08Å; W1219-E1262 PolarHBondContact NE1-OE1 2.89Å; W1219-F1266 HydrophobicContact CB-CE2 3.91Å; W1219-F1266 HydrophobicContact CB-CZ 3.82Å; W1219-F1266 AromaticContact CD1-CE1 3.86Å; W1219-F1266 AromaticContact CD1-CZ 3.55Å; W1219-F1266 HydrophobicContact CG-CE2 4.36Å; W1219-F1266 AromaticContact CG-CZ 3.81Å; W1219-F1266 HydrophobicContact CG-CZ 3.81Å |
| 1220 | A | 90.6 | Very high | 86.3 | Confident | 6 Ų | 6 | 37.4 Ų | 37.4 | 5% | 0.05 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 124.6 | 177 | 0 | 0 | 0 | 0 | 0 | 110.9 | I1229 F1256 T1257 K1259 | A1220-I1229 HydrophobicContact CB-CD1 4.46Å; A1220-I1229 HydrophobicContact CB-CG1 4.46Å; A1220-F1256 HydrophobicContact CB-CE2 3.7Å; A1220-F1256 HydrophobicContact CB-CZ 3.69Å; A1220-T1257 PolarHBondContact N-O 3.1Å; A1220-K1259 PolarHBondContact O-N 3.32Å; A1220-K1259 VanDerWaalsContact O-N 3.13Å |
| 1221 | G | 85.9 | Confident | 85.8 | Confident | 9 Ų | 9 | 38.7 Ų | 38.7 | 9% | 0.093 | 21% | 0.206 | C | C | . | . | trans | -62.4 | 158.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | D1204 D1206 K1223 S1224 | D1204-G1221 CarbonylContact O-C 3.58Å; D1204-G1221 VanDerWaalsContact O-C 3.26Å; D1204-G1221 WeakPolarHBondContact O-CA 3.48Å; D1206-G1221 PolarHBondContact O-N 3.12Å; G1221-K1223 PolarHBondContact O-N 3.11Å; G1221-S1224 VanDerWaalsContact CA-OG 3.3Å; G1221-S1224 WeakPolarHBondContact CA-OG 3.38Å; G1221-S1224 PolarHBondContact N-OG 3.43Å; G1221-S1224 PolarHBondContact O-N 3.13Å; G1221-S1224 PolarHBondContact O-OG 3.4Å; G1221-S1224 VanDerWaalsContact O-OG 3.13Å | ||
| 1222 | A | 81 | Confident | 85.5 | Confident | 81 Ų | 81 | 38.6 Ų | 38.6 | 67% | 0.669 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -20.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | D1204 K1259 | D1204-A1222 PolarHBondContact O-N 2.95Å; A1222-K1259 HydrophobicContact CB-CD 4.34Å |
| 1223 | K | 81.9 | Confident | 85.3 | Confident | 147 Ų | 147 | 42.6 Ų | 42.6 | 64% | 0.639 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -114.2 | 6.4 | -176.9 | -59.9 | -179.5 | -178.1 | 176.1 | 0 | 113.4 | D1204 E1205 G1221 | D1204-K1223 WeakPolarHBondContact O-CA 3.4Å; D1204-K1223 WeakPolarHBondContact O-CB 3.15Å; D1204-K1223 PolarHBondContact O-N 3.17Å; E1205-K1223 HydrophobicContact CG-CB 4.32Å; E1205-K1223 HydrophobicContact CG-CD 4.32Å; G1221-K1223 PolarHBondContact O-N 3.11Å |
| 1224 | S | 78.7 | Confident | 85.1 | Confident | 18 Ų | 18 | 47 Ų | 47 | 13% | 0.126 | 24% | 0.242 | C | C | . | . | trans | -64.1 | 142.6 | -178.7 | -42 | 0 | 0 | 0 | 0 | 112.5 | E1205 D1206 G1221 | E1205-S1224 VanDerWaalsContact O-CA 3.31Å; E1205-S1224 WeakPolarHBondContact O-CA 3.3Å; D1206-S1224 VanDerWaalsContact C-OG 3.26Å; D1206-S1224 PolarHBondContact O-OG 3.36Å; G1221-S1224 VanDerWaalsContact CA-OG 3.3Å; G1221-S1224 WeakPolarHBondContact CA-OG 3.38Å; G1221-S1224 PolarHBondContact N-OG 3.43Å; G1221-S1224 PolarHBondContact O-N 3.13Å; G1221-S1224 PolarHBondContact O-OG 3.4Å; G1221-S1224 VanDerWaalsContact O-OG 3.13Å | ||
| 1225 | S | 77 | Confident | 85.1 | Confident | 39 Ų | 39 | 43.6 Ų | 43.6 | 27% | 0.273 | 22% | 0.224 | S | C | . | . | trans | -73.8 | 147.5 | 179.6 | 71.8 | 0 | 0 | 0 | 0 | 112.2 | V1227 E1228 I1229 | S1225-V1227 PolarHBondContact O-N 3.35Å; S1225-V1227 VanDerWaalsContact O-N 3.08Å; S1225-E1228 VanDerWaalsContact CB-OE2 3.27Å; S1225-E1228 WeakPolarHBondContact CB-OE2 3.36Å; S1225-E1228 PolarHBondContact N-OE2 3.22Å; S1225-E1228 PolarHBondContact O-N 3.12Å; S1225-E1228 VanDerWaalsContact O-N 3.12Å; S1225-E1228 WeakPolarHBondContact OG-CB 3.21Å; S1225-E1228 VanDerWaalsContact OG-CG 3.25Å; S1225-E1228 WeakPolarHBondContact OG-CG 3.4Å; S1225-E1228 PolarHBondContact OG-N 3.27Å; S1225-E1228 VanDerWaalsContact OG-N 3.09Å; S1225-E1228 PolarHBondContact OG-OE2 2.85Å; S1225-I1229 WeakPolarHBondContact O-CG1 3.44Å; S1225-I1229 PolarHBondContact O-N 2.7Å | ||
| 1226 | E | 75.4 | Confident | 85 | Confident | 143 Ų | 143 | 42.6 Ų | 42.6 | 67% | 0.668 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -56.4 | -28.2 | 173.1 | -72.6 | -172 | -170 | 0 | 0 | 112.9 | K1230 | E1226-K1230 WeakPolarHBondContact O-CB 3.34Å; E1226-K1230 WeakPolarHBondContact O-CG 3.32Å; E1226-K1230 PolarHBondContact O-N 3.36Å |
| 1227 | V | 74.4 | Confident | 84.8 | Confident | 29 Ų | 29 | 48 Ų | 48 | 18% | 0.176 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -69.7 | -49.7 | 178.1 | 172.9 | 0 | 0 | 0 | 0 | 110.3 | F854 S1225 I1229 K1230 L1231 | F854-V1227 HydrophobicContact CB-CG2 4.14Å; F854-V1227 HydrophobicContact CD1-CB 4.28Å; F854-V1227 HydrophobicContact CD1-CG1 3.6Å; F854-V1227 HydrophobicContact CD1-CG2 3.63Å; F854-V1227 HydrophobicContact CD2-CG2 3.48Å; F854-V1227 VanDerWaalsContact CD2-CG2 3.48Å; F854-V1227 HydrophobicContact CE1-CB 4.11Å; F854-V1227 HydrophobicContact CE1-CG1 3.14Å; F854-V1227 HydrophobicContact CE1-CG2 3.85Å; F854-V1227 HydrophobicContact CE2-CB 4.43Å; F854-V1227 HydrophobicContact CE2-CG1 4.18Å; F854-V1227 HydrophobicContact CE2-CG2 3.69Å; F854-V1227 HydrophobicContact CG-CG1 4.3Å; F854-V1227 HydrophobicContact CG-CG2 3.45Å; F854-V1227 VanDerWaalsContact CG-CG2 3.45Å; F854-V1227 HydrophobicContact CZ-CB 4.18Å; F854-V1227 HydrophobicContact CZ-CG1 3.47Å; F854-V1227 VanDerWaalsContact CZ-CG1 3.47Å; F854-V1227 HydrophobicContact CZ-CG2 3.87Å; S1225-V1227 PolarHBondContact O-N 3.35Å; S1225-V1227 VanDerWaalsContact O-N 3.08Å; V1227-I1229 VanDerWaalsContact C-N 3.27Å; V1227-I1229 PolarHBondContact O-N 2.89Å; V1227-K1230 PolarHBondContact O-N 3.32Å; V1227-L1231 HydrophobicContact CG1-CD1 3.86Å; V1227-L1231 HydrophobicContact CG1-CG 4.32Å; V1227-L1231 WeakPolarHBondContact O-CB 3.34Å; V1227-L1231 WeakPolarHBondContact O-CG 3.36Å; V1227-L1231 PolarHBondContact O-N 3.15Å |
| 1228 | E | 82 | Confident | 84.5 | Confident | 8 Ų | 8 | 47.6 Ų | 47.6 | 4% | 0.037 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.1 | -42.7 | 175.3 | -76.3 | 156.4 | 158.1 | 0 | 0 | 110.4 | N1183 V1207 S1225 K1230 L1231 S1232 | N1183-E1228 HydrophobicContact CB-CG 4.34Å; N1183-E1228 PolarHBondContact N-OE1 3.12Å; N1183-E1228 VanDerWaalsContact N-OE1 3.11Å; N1183-E1228 VanDerWaalsContact ND2-CD 3.35Å; N1183-E1228 PolarHBondContact ND2-OE1 3.05Å; N1183-E1228 PolarHBondContact OD1-OE1 2.84Å; V1207-E1228 HydrophobicContact CG2-CB 4.03Å; S1225-E1228 VanDerWaalsContact CB-OE2 3.27Å; S1225-E1228 WeakPolarHBondContact CB-OE2 3.36Å; S1225-E1228 PolarHBondContact N-OE2 3.22Å; S1225-E1228 PolarHBondContact O-N 3.12Å; S1225-E1228 VanDerWaalsContact O-N 3.12Å; S1225-E1228 WeakPolarHBondContact OG-CB 3.21Å; S1225-E1228 VanDerWaalsContact OG-CG 3.25Å; S1225-E1228 WeakPolarHBondContact OG-CG 3.4Å; S1225-E1228 PolarHBondContact OG-N 3.27Å; S1225-E1228 VanDerWaalsContact OG-N 3.09Å; S1225-E1228 PolarHBondContact OG-OE2 2.85Å; E1228-K1230 VanDerWaalsContact C-N 3.34Å; E1228-K1230 PolarHBondContact O-N 3.43Å; E1228-L1231 PolarHBondContact O-N 3.16Å; E1228-S1232 WeakPolarHBondContact O-CA 3.49Å; E1228-S1232 WeakPolarHBondContact O-CB 3.39Å; E1228-S1232 PolarHBondContact O-N 3.16Å; E1228-S1232 PolarHBondContact O-OG 2.87Å |
| 1229 | I | 82.3 | Confident | 84.3 | Confident | 53 Ų | 53 | 47.7 Ų | 47.7 | 27% | 0.272 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -58.7 | -45.8 | 176.2 | -64.3 | 169 | 0 | 0 | 0 | 110.8 | V1207 A1220 S1225 V1227 F1233 F1256 | V1207-I1229 HydrophobicContact CG2-CG1 3.81Å; A1220-I1229 HydrophobicContact CB-CD1 4.46Å; A1220-I1229 HydrophobicContact CB-CG1 4.46Å; S1225-I1229 WeakPolarHBondContact O-CG1 3.44Å; S1225-I1229 PolarHBondContact O-N 2.7Å; V1227-I1229 VanDerWaalsContact C-N 3.27Å; V1227-I1229 PolarHBondContact O-N 2.89Å; I1229-F1233 VanDerWaalsContact O-CB 3.29Å; I1229-F1233 WeakPolarHBondContact O-CB 3.45Å; I1229-F1233 PolarHBondContact O-N 2.91Å; I1229-F1256 HydrophobicContact CG2-CE2 4.49Å |
| 1230 | K | 81.9 | Confident | 84.1 | Confident | 135 Ų | 135 | 48.5 Ų | 48.5 | 59% | 0.587 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -67.7 | -44.4 | 179.4 | -78 | 172.7 | -177.2 | 162 | 0 | 113.3 | E1226 V1227 E1228 F1233 K1234 | E1226-K1230 WeakPolarHBondContact O-CB 3.34Å; E1226-K1230 WeakPolarHBondContact O-CG 3.32Å; E1226-K1230 PolarHBondContact O-N 3.36Å; V1227-K1230 PolarHBondContact O-N 3.32Å; E1228-K1230 VanDerWaalsContact C-N 3.34Å; E1228-K1230 PolarHBondContact O-N 3.43Å; K1230-F1233 PolarHBondContact O-N 2.95Å; K1230-K1234 PolarHBondContact O-N 2.71Å |
| 1231 | L | 83.9 | Confident | 83.9 | Confident | 27 Ų | 27 | 53.7 Ų | 53.7 | 14% | 0.141 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -69.5 | -40.9 | 179.6 | -69.5 | 177.9 | 0 | 0 | 0 | 111 | I395 F397 F1188 V1227 E1228 K1234 A1235 | I395-L1231 HydrophobicContact CD1-CD2 4.12Å; F397-L1231 HydrophobicContact CE2-CD2 4.14Å; F397-L1231 HydrophobicContact CZ-CD2 4.35Å; F1188-L1231 HydrophobicContact CB-CD1 3.82Å; F1188-L1231 HydrophobicContact CD1-CB 4.2Å; F1188-L1231 HydrophobicContact CD2-CB 3.74Å; F1188-L1231 HydrophobicContact CD2-CD1 3.87Å; F1188-L1231 HydrophobicContact CD2-CG 4.47Å; F1188-L1231 HydrophobicContact CE1-CB 4.13Å; F1188-L1231 HydrophobicContact CE2-CB 3.66Å; F1188-L1231 HydrophobicContact CG-CB 4.01Å; F1188-L1231 HydrophobicContact CG-CD1 3.84Å; F1188-L1231 HydrophobicContact CZ-CB 3.88Å; V1227-L1231 HydrophobicContact CG1-CD1 3.86Å; V1227-L1231 HydrophobicContact CG1-CG 4.32Å; V1227-L1231 WeakPolarHBondContact O-CB 3.34Å; V1227-L1231 WeakPolarHBondContact O-CG 3.36Å; V1227-L1231 PolarHBondContact O-N 3.15Å; E1228-L1231 PolarHBondContact O-N 3.16Å; L1231-K1234 WeakPolarHBondContact O-CB 3.41Å; L1231-K1234 PolarHBondContact O-N 3.2Å; L1231-K1234 VanDerWaalsContact O-N 3.17Å; L1231-A1235 PolarHBondContact O-N 3.39Å |
| 1232 | S | 88 | Confident | 84 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.1 | -42 | 174.5 | -51.9 | 0 | 0 | 0 | 0 | 110.7 | C1181 F1188 F1209 E1228 K1234 A1235 A1236 | C1181-S1232 WeakPolarHBondContact CB-OG 3.24Å; F1188-S1232 WeakPolarHBondContact CE2-OG 3.45Å; F1209-S1232 WeakPolarHBondContact CE1-O 3.41Å; F1209-S1232 WeakPolarHBondContact CZ-O 3.36Å; E1228-S1232 WeakPolarHBondContact O-CA 3.49Å; E1228-S1232 WeakPolarHBondContact O-CB 3.39Å; E1228-S1232 PolarHBondContact O-N 3.16Å; E1228-S1232 PolarHBondContact O-OG 2.87Å; S1232-K1234 VanDerWaalsContact C-N 3.26Å; S1232-K1234 PolarHBondContact O-N 3.19Å; S1232-A1235 PolarHBondContact O-N 3.12Å; S1232-A1236 WeakPolarHBondContact O-CB 3.25Å; S1232-A1236 PolarHBondContact O-N 3.1Å |
| 1233 | F | 87 | Confident | 84.2 | Confident | 90 Ų | 90 | 51.1 Ų | 51.1 | 40% | 0.395 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -58 | -38 | 173.9 | -178.4 | -109.5 | 0 | 0 | 0 | 113.1 | L1218 I1229 K1230 K1237 L1254 | L1218-F1233 HydrophobicContact CD2-CB 4.18Å; L1218-F1233 HydrophobicContact CD2-CD2 4.43Å; I1229-F1233 VanDerWaalsContact O-CB 3.29Å; I1229-F1233 WeakPolarHBondContact O-CB 3.45Å; I1229-F1233 PolarHBondContact O-N 2.91Å; K1230-F1233 PolarHBondContact O-N 2.95Å; F1233-K1237 HydrophobicContact CE1-CD 4.17Å; F1233-K1237 HydrophobicContact CZ-CD 4.4Å; F1233-K1237 PolarHBondContact O-N 3.21Å; F1233-L1254 HydrophobicContact CD2-CD2 3.94Å; F1233-L1254 HydrophobicContact CE2-CD2 3.72Å |
| 1234 | K | 85.5 | Confident | 84.5 | Confident | 91 Ų | 91 | 45.3 Ų | 45.3 | 40% | 0.396 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -67.6 | -49.6 | 173.7 | -70.6 | -176.1 | 179.1 | -175.7 | 0 | 111.6 | F397 K1230 L1231 S1232 A1236 K1237 V1238 | F397-K1234 HydrophobicContact CD1-CB 4.18Å; F397-K1234 HydrophobicContact CD2-CB 3.87Å; F397-K1234 HydrophobicContact CD2-CD 3.82Å; F397-K1234 HydrophobicContact CE1-CB 4.25Å; F397-K1234 HydrophobicContact CE2-CB 3.95Å; F397-K1234 HydrophobicContact CE2-CD 3.96Å; F397-K1234 HydrophobicContact CG-CB 3.99Å; F397-K1234 HydrophobicContact CZ-CB 4.14Å; K1230-K1234 PolarHBondContact O-N 2.71Å; L1231-K1234 WeakPolarHBondContact O-CB 3.41Å; L1231-K1234 PolarHBondContact O-N 3.2Å; L1231-K1234 VanDerWaalsContact O-N 3.17Å; S1232-K1234 VanDerWaalsContact C-N 3.26Å; S1232-K1234 PolarHBondContact O-N 3.19Å; K1234-A1236 VanDerWaalsContact C-N 3.31Å; K1234-A1236 PolarHBondContact O-N 3.4Å; K1234-K1237 WeakPolarHBondContact O-CB 3.26Å; K1234-K1237 PolarHBondContact O-N 3.14Å; K1234-V1238 WeakPolarHBondContact O-CG2 3.26Å; K1234-V1238 PolarHBondContact O-N 2.85Å |
| 1235 | A | 88.4 | Confident | 84.8 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -56.2 | -42.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | F397 L881 L884 F1188 F1209 L1231 S1232 K1237 V1238 Y1239 | F397-A1235 HydrophobicContact CD1-CB 4.49Å; F397-A1235 HydrophobicContact CE1-CB 3.84Å; L881-A1235 HydrophobicContact CD2-CB 4.08Å; L884-A1235 HydrophobicContact CD1-CB 4.07Å; F1188-A1235 HydrophobicContact CE1-CB 4.17Å; F1188-A1235 HydrophobicContact CZ-CB 4.47Å; F1209-A1235 HydrophobicContact CE2-CB 4.06Å; F1209-A1235 HydrophobicContact CZ-CB 3.73Å; L1231-A1235 PolarHBondContact O-N 3.39Å; S1232-A1235 PolarHBondContact O-N 3.12Å; A1235-K1237 VanDerWaalsContact C-N 3.32Å; A1235-K1237 PolarHBondContact O-N 3.22Å; A1235-V1238 PolarHBondContact O-N 3.35Å; A1235-Y1239 PolarHBondContact O-N 3.48Å |
| 1236 | A | 87.9 | Confident | 85.1 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.8 | -41.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | F1209 S1232 K1234 Y1239 V1240 L1254 | F1209-A1236 HydrophobicContact CD1-CB 3.81Å; F1209-A1236 HydrophobicContact CE1-CB 3.23Å; F1209-A1236 HydrophobicContact CZ-CB 4.01Å; S1232-A1236 WeakPolarHBondContact O-CB 3.25Å; S1232-A1236 PolarHBondContact O-N 3.1Å; K1234-A1236 VanDerWaalsContact C-N 3.31Å; K1234-A1236 PolarHBondContact O-N 3.4Å; A1236-Y1239 PolarHBondContact O-N 3.15Å; A1236-V1240 WeakPolarHBondContact O-CB 3.38Å; A1236-V1240 VanDerWaalsContact O-CG2 3.25Å; A1236-V1240 WeakPolarHBondContact O-CG2 3.36Å; A1236-V1240 PolarHBondContact O-N 3.36Å; A1236-L1254 HydrophobicContact CB-CD1 3.64Å; A1236-L1254 HydrophobicContact CB-CD2 3.95Å; A1236-L1254 HydrophobicContact CB-CG 4.48Å |
| 1237 | K | 88.3 | Confident | 85.5 | Confident | 116 Ų | 116 | 46.8 Ų | 46.8 | 50% | 0.504 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -62.2 | -44.4 | 177.4 | -78.1 | -174.8 | 171.3 | -174.8 | 0 | 111.6 | F1233 K1234 A1235 Y1239 V1240 E1241 L1254 | F1233-K1237 HydrophobicContact CE1-CD 4.17Å; F1233-K1237 HydrophobicContact CZ-CD 4.4Å; F1233-K1237 PolarHBondContact O-N 3.21Å; K1234-K1237 WeakPolarHBondContact O-CB 3.26Å; K1234-K1237 PolarHBondContact O-N 3.14Å; A1235-K1237 VanDerWaalsContact C-N 3.32Å; A1235-K1237 PolarHBondContact O-N 3.22Å; K1237-Y1239 VanDerWaalsContact C-N 3.34Å; K1237-V1240 PolarHBondContact O-N 3.28Å; K1237-E1241 WeakPolarHBondContact O-CB 3.35Å; K1237-E1241 PolarHBondContact O-N 3.39Å; K1237-L1254 HydrophobicContact CG-CD2 4.31Å |
| 1238 | V | 87.4 | Confident | 85.8 | Confident | 4 Ų | 4 | 53.2 Ų | 53.2 | 2% | 0.024 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.3 | -44.5 | 177.1 | -165.6 | 0 | 0 | 0 | 0 | 110.9 | F397 L399 F885 K1234 A1235 E1241 H1242 | F397-V1238 HydrophobicContact CB-CG2 3.65Å; F397-V1238 HydrophobicContact CD1-CG2 3.8Å; F397-V1238 HydrophobicContact CG-CG2 4.19Å; F397-V1238 WeakPolarHBondContact O-CG2 3.42Å; L399-V1238 HydrophobicContact CB-CG1 4.35Å; L399-V1238 HydrophobicContact CD1-CG1 4.05Å; F885-V1238 HydrophobicContact CE1-CG1 4.2Å; F885-V1238 HydrophobicContact CZ-CG1 3.83Å; K1234-V1238 WeakPolarHBondContact O-CG2 3.26Å; K1234-V1238 PolarHBondContact O-N 2.85Å; A1235-V1238 PolarHBondContact O-N 3.35Å; V1238-E1241 PolarHBondContact O-N 3.43Å; V1238-H1242 WeakPolarHBondContact O-CB 3.39Å; V1238-H1242 PolarHBondContact O-N 3.27Å |
| 1239 | Y | 90.1 | Very high | 85.9 | Confident | 4 Ų | 4 | 59.4 Ų | 59.4 | 2% | 0.016 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.3 | -48 | 178 | 177.6 | -99.4 | 0 | 0 | 0 | 111.7 | L884 F1179 D1211 V1216 A1235 A1236 K1237 E1241 H1242 V1243 | L884-Y1239 HydrophobicContact CB-CD2 4.04Å; L884-Y1239 HydrophobicContact CD2-CD2 3.84Å; L884-Y1239 HydrophobicContact CD2-CE2 4.49Å; L884-Y1239 HydrophobicContact CD2-CG 4.2Å; L884-Y1239 HydrophobicContact CG-CD2 4.49Å; L884-Y1239 WeakPolarHBondContact O-CD2 3.34Å; L884-Y1239 WeakPolarHBondContact O-CE2 3.19Å; F1179-Y1239 HydrophobicContact CE2-CE2 4.04Å; F1179-Y1239 AromaticContact CE2-CZ 3.99Å; F1179-Y1239 AromaticContact CZ-CE2 3.89Å; F1179-Y1239 HydrophobicContact CZ-CE2 3.89Å; D1211-Y1239 HydrophobicContact CB-CE1 3.95Å; D1211-Y1239 WeakPolarHBondContact OD2-CE1 3.23Å; D1211-Y1239 PolarHBondContact OD2-OH 3.1Å; V1216-Y1239 HydrophobicContact CG2-CD1 4.15Å; V1216-Y1239 HydrophobicContact CG2-CE1 3.98Å; A1235-Y1239 PolarHBondContact O-N 3.48Å; A1236-Y1239 PolarHBondContact O-N 3.15Å; K1237-Y1239 VanDerWaalsContact C-N 3.34Å; Y1239-E1241 VanDerWaalsContact C-N 3.33Å; Y1239-E1241 PolarHBondContact O-N 3.49Å; Y1239-H1242 WeakPolarHBondContact O-CB 3.16Å; Y1239-H1242 PolarHBondContact O-N 3.14Å; Y1239-V1243 HydrophobicContact CD1-CG2 4.28Å; Y1239-V1243 HydrophobicContact CD2-CG2 4.09Å; Y1239-V1243 HydrophobicContact CE1-CG2 3.85Å; Y1239-V1243 HydrophobicContact CE2-CG2 3.68Å; Y1239-V1243 HydrophobicContact CG-CG2 4.39Å; Y1239-V1243 WeakPolarHBondContact O-CB 3.37Å; Y1239-V1243 WeakPolarHBondContact O-CG2 3.28Å; Y1239-V1243 PolarHBondContact O-N 3.05Å |
| 1240 | V | 88.2 | Confident | 86 | Confident | 19 Ų | 19 | 58.7 Ų | 58.7 | 12% | 0.115 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.4 | -42.1 | 177.7 | 170.1 | 0 | 0 | 0 | 0 | 111.1 | V1216 A1236 K1237 N1244 R1252 L1254 | V1216-V1240 HydrophobicContact CB-CG2 3.95Å; V1216-V1240 HydrophobicContact CG1-CG2 4.38Å; V1216-V1240 HydrophobicContact CG2-CG2 3.75Å; A1236-V1240 WeakPolarHBondContact O-CB 3.38Å; A1236-V1240 VanDerWaalsContact O-CG2 3.25Å; A1236-V1240 WeakPolarHBondContact O-CG2 3.36Å; A1236-V1240 PolarHBondContact O-N 3.36Å; K1237-V1240 PolarHBondContact O-N 3.28Å; V1240-N1244 WeakPolarHBondContact CG1-ND2 3.19Å; V1240-N1244 WeakPolarHBondContact O-CB 3.39Å; V1240-N1244 PolarHBondContact O-N 3.22Å; V1240-N1244 PolarHBondContact O-ND2 3.03Å; V1240-R1252 HydrophobicContact CG1-CB 4.17Å; V1240-R1252 HydrophobicContact CG2-CB 4.43Å; V1240-L1254 HydrophobicContact CG2-CB 4.45Å |
| 1241 | E | 87.3 | Confident | 86.2 | Confident | 115 Ų | 115 | 57.3 Ų | 57.3 | 54% | 0.537 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.9 | -44.8 | 176.2 | -169.6 | 176.1 | -174.9 | 0 | 0 | 111.9 | L399 K1237 V1238 Y1239 S1245 | L399-E1241 HydrophobicContact CD2-CG 4.19Å; K1237-E1241 WeakPolarHBondContact O-CB 3.35Å; K1237-E1241 PolarHBondContact O-N 3.39Å; V1238-E1241 PolarHBondContact O-N 3.43Å; Y1239-E1241 VanDerWaalsContact C-N 3.33Å; Y1239-E1241 PolarHBondContact O-N 3.49Å; E1241-S1245 WeakPolarHBondContact O-CB 3.38Å; E1241-S1245 PolarHBondContact O-N 3.44Å |
| 1242 | H | 87.2 | Confident | 86.5 | Confident | 24 Ų | 24 | 56.7 Ų | 56.7 | 11% | 0.111 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.9 | -54 | 176 | -175.9 | 52.9 | 0 | 0 | 0 | 112 | L399 F885 V1238 Y1239 N1244 S1245 I1246 | L399-H1242 HydrophobicContact CD1-CB 3.51Å; L399-H1242 HydrophobicContact CD2-CB 4.44Å; F885-H1242 HydrophobicContact CD1-CB 4.41Å; F885-H1242 AromaticContact CD1-CD2 3.64Å; F885-H1242 AromaticContact CD1-CG 3.85Å; F885-H1242 AromaticContact CD1-NE2 3.88Å; F885-H1242 HydrophobicContact CE1-CB 4.14Å; V1238-H1242 WeakPolarHBondContact O-CB 3.39Å; V1238-H1242 PolarHBondContact O-N 3.27Å; Y1239-H1242 WeakPolarHBondContact O-CB 3.16Å; Y1239-H1242 PolarHBondContact O-N 3.14Å; H1242-N1244 VanDerWaalsContact C-N 3.32Å; H1242-N1244 PolarHBondContact O-N 3.18Å; H1242-S1245 WeakPolarHBondContact O-CA 3.48Å; H1242-S1245 WeakPolarHBondContact O-CB 3.31Å; H1242-S1245 PolarHBondContact O-N 2.8Å; H1242-S1245 PolarHBondContact O-OG 3.23Å; H1242-I1246 WeakPolarHBondContact CE1-CD1 3.25Å; H1242-I1246 VanDerWaalsContact NE2-CD1 3.33Å; H1242-I1246 WeakPolarHBondContact NE2-CD1 3.24Å; H1242-I1246 PolarHBondContact O-N 3.29Å |
| 1243 | V | 86.6 | Confident | 86.5 | Confident | 12 Ų | 12 | 63.5 Ų | 63.5 | 7% | 0.073 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.1 | -38.6 | -176 | 171.7 | 0 | 0 | 0 | 0 | 111.1 | Y1239 S1245 I1246 Q1247 R1252 | Y1239-V1243 HydrophobicContact CD1-CG2 4.28Å; Y1239-V1243 HydrophobicContact CD2-CG2 4.09Å; Y1239-V1243 HydrophobicContact CE1-CG2 3.85Å; Y1239-V1243 HydrophobicContact CE2-CG2 3.68Å; Y1239-V1243 HydrophobicContact CG-CG2 4.39Å; Y1239-V1243 WeakPolarHBondContact O-CB 3.37Å; Y1239-V1243 WeakPolarHBondContact O-CG2 3.28Å; Y1239-V1243 PolarHBondContact O-N 3.05Å; V1243-S1245 PolarHBondContact O-N 2.88Å; V1243-I1246 PolarHBondContact O-N 3.07Å; V1243-Q1247 PolarHBondContact O-N 3.21Å; V1243-R1252 HydrophobicContact CG1-CG 4.46Å |
| 1244 | N | 87.4 | Confident | 86.6 | Confident | 25 Ų | 25 | 61.7 Ų | 61.7 | 13% | 0.134 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67.1 | -24 | 174.3 | -71.9 | -11.2 | 0 | 0 | 0 | 113.2 | V1240 H1242 Q1251 R1252 | V1240-N1244 WeakPolarHBondContact CG1-ND2 3.19Å; V1240-N1244 WeakPolarHBondContact O-CB 3.39Å; V1240-N1244 PolarHBondContact O-N 3.22Å; V1240-N1244 PolarHBondContact O-ND2 3.03Å; H1242-N1244 VanDerWaalsContact C-N 3.32Å; H1242-N1244 PolarHBondContact O-N 3.18Å; N1244-Q1251 PolarHBondContact ND2-OE1 2.92Å; N1244-Q1251 PolarHBondContact O-NE2 2.99Å; N1244-Q1251 WeakPolarHBondContact OD1-CA 3.41Å; N1244-R1252 PolarHBondContact ND2-O 2.79Å; N1244-R1252 PolarHBondContact OD1-N 3.44Å |
| 1245 | S | 85.1 | Confident | 86.8 | Confident | 60 Ų | 60 | 61.5 Ų | 61.5 | 42% | 0.42 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -75.1 | -34.9 | 174.5 | 80.5 | 0 | 0 | 0 | 0 | 112.6 | E1241 H1242 V1243 | E1241-S1245 WeakPolarHBondContact O-CB 3.38Å; E1241-S1245 PolarHBondContact O-N 3.44Å; H1242-S1245 WeakPolarHBondContact O-CA 3.48Å; H1242-S1245 WeakPolarHBondContact O-CB 3.31Å; H1242-S1245 PolarHBondContact O-N 2.8Å; H1242-S1245 PolarHBondContact O-OG 3.23Å; V1243-S1245 PolarHBondContact O-N 2.88Å |
| 1246 | I | 84 | Confident | 87 | Confident | 111 Ų | 111 | 67.2 Ų | 67.2 | 57% | 0.569 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -81.8 | -49.2 | 178.6 | -62.6 | 175 | 0 | 0 | 0 | 110.9 | H1242 V1243 | H1242-I1246 WeakPolarHBondContact CE1-CD1 3.25Å; H1242-I1246 VanDerWaalsContact NE2-CD1 3.33Å; H1242-I1246 WeakPolarHBondContact NE2-CD1 3.24Å; H1242-I1246 PolarHBondContact O-N 3.29Å; V1243-I1246 PolarHBondContact O-N 3.07Å |
| 1247 | Q | 83.1 | Confident | 87 | Confident | 60 Ų | 60 | 67.7 Ų | 67.7 | 28% | 0.28 | 32% | 0.323 | S | S | . | . | trans | -108 | 72.3 | -174.7 | -63.3 | -173.8 | -1.9 | 0 | 0 | 110.5 | V1243 D1249 R1250 | V1243-Q1247 PolarHBondContact O-N 3.21Å; Q1247-D1249 PolarHBondContact O-N 2.78Å; Q1247-R1250 CarbonylContact O-C 3.06Å; Q1247-R1250 PolarHBondContact O-N 2.73Å; Q1247-R1250 VanDerWaalsContact O-N 3.15Å | ||
| 1248 | K | 80.6 | Confident | 86.9 | Confident | 163 Ų | 163 | 63.9 Ų | 63.9 | 71% | 0.709 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -29 | -175.6 | -69.4 | -178.3 | -178.8 | 174.6 | 0 | 113.5 | R1250 Q1251 | K1248-R1250 VanDerWaalsContact C-N 3.32Å; K1248-Q1251 PolarHBondContact O-NE2 3.45Å |
| 1249 | D | 83.4 | Confident | 86.8 | Confident | 139 Ų | 139 | 66.4 Ų | 66.4 | 74% | 0.743 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -24.7 | 177.7 | 60.8 | -49.5 | 0 | 0 | 0 | 113.3 | Q1247 | Q1247-D1249 PolarHBondContact O-N 2.78Š|
| 1250 | R | 84 | Confident | 86.5 | Confident | 38 Ų | 38 | 69.3 Ų | 69.3 | 14% | 0.143 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -130.7 | 79 | -175 | -154 | 175.9 | -172.7 | 140.7 | 4.3 | 112.3 | D1171 G1213 D1214 Q1247 K1248 R1252 | D1171-R1250 IonicContact OD2-NH1 2.78Å; D1171-R1250 IonicContact OD2-NH2 3.2Å; G1213-R1250 VanDerWaalsContact O-CD 3.3Å; G1213-R1250 WeakPolarHBondContact O-CD 3.48Å; G1213-R1250 WeakPolarHBondContact O-CG 3.35Å; G1213-R1250 PolarHBondContact O-NE 2.8Å; D1214-R1250 IonicContact OD1-CZ 2.73Å; D1214-R1250 IonicContact OD1-NE 3.01Å; D1214-R1250 PolarHBondContact OD1-NE 3.11Å; D1214-R1250 IonicContact OD1-NH2 2.74Å; D1214-R1250 PolarHBondContact OD1-NH2 3.01Å; D1214-R1250 IonicContact OD2-NH2 3.37Å; D1214-R1250 PolarHBondContact OD2-NH2 2.76Å; Q1247-R1250 CarbonylContact O-C 3.06Å; Q1247-R1250 PolarHBondContact O-N 2.73Å; Q1247-R1250 VanDerWaalsContact O-N 3.15Å; K1248-R1250 VanDerWaalsContact C-N 3.32Å; R1250-R1252 VanDerWaalsContact O-CD 3.28Å; R1250-R1252 WeakPolarHBondContact O-CD 3.48Å; R1250-R1252 PolarHBondContact O-N 2.77Å; R1250-R1252 PolarHBondContact O-NH1 2.63Å |
| 1251 | Q | 86.5 | Confident | 86.4 | Confident | 106 Ų | 106 | 76.6 Ų | 76.6 | 50% | 0.495 | 39% | 0.385 | S | S | . | . | trans | -69.4 | 120.5 | -178.3 | -66.4 | -69.6 | -46.6 | 0 | 0 | 112.5 | N1244 K1248 | N1244-Q1251 PolarHBondContact ND2-OE1 2.92Å; N1244-Q1251 PolarHBondContact O-NE2 2.99Å; N1244-Q1251 WeakPolarHBondContact OD1-CA 3.41Å; K1248-Q1251 PolarHBondContact O-NE2 3.45Å | ||
| 1252 | R | 89.4 | Confident | 86.5 | Confident | 13 Ų | 13 | 72.3 Ų | 72.3 | 5% | 0.049 | 37% | 0.365 | C | S | . | . | trans | -77.8 | 139.2 | 175.8 | -84.4 | 61.8 | 167.7 | -161.5 | -2.3 | 111.8 | D1211 G1213 D1214 V1216 V1240 V1243 N1244 R1250 | D1211-R1252 IonicContact OD1-NE 2.77Å; D1211-R1252 IonicContact OD2-NE 3.27Å; D1211-R1252 IonicContact OD2-NH2 3.84Å; G1213-R1252 WeakPolarHBondContact O-CD 3.33Å; G1213-R1252 PolarHBondContact O-NE 3.4Å; G1213-R1252 VanDerWaalsContact O-NE 3.07Å; D1214-R1252 WeakPolarHBondContact O-CA 3.16Å; V1216-R1252 HydrophobicContact CG2-CB 4.04Å; V1216-R1252 HydrophobicContact CG2-CG 3.83Å; V1240-R1252 HydrophobicContact CG1-CB 4.17Å; V1240-R1252 HydrophobicContact CG2-CB 4.43Å; V1243-R1252 HydrophobicContact CG1-CG 4.46Å; N1244-R1252 PolarHBondContact ND2-O 2.79Å; N1244-R1252 PolarHBondContact OD1-N 3.44Å; R1250-R1252 VanDerWaalsContact O-CD 3.28Å; R1250-R1252 WeakPolarHBondContact O-CD 3.48Å; R1250-R1252 PolarHBondContact O-N 2.77Å; R1250-R1252 PolarHBondContact O-NH1 2.63Å | ||
| 1253 | K | 88 | Confident | 86.5 | Confident | 143 Ų | 143 | 73.6 Ų | 73.6 | 62% | 0.622 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 133.5 | 169 | -67.4 | 179.3 | -177.8 | 177.2 | 0 | 110.8 | D1214 Q1215 V1216 F1255 | D1214-K1253 PolarHBondContact O-N 3.25Å; Q1215-K1253 CarbonylContact C-O 3.55Å; Q1215-K1253 WeakPolarHBondContact CA-O 3.31Å; V1216-K1253 PolarHBondContact N-O 3.5Å; K1253-F1255 HydrophobicContact CB-CD2 4.35Å; K1253-F1255 HydrophobicContact CB-CE2 3.68Å; K1253-F1255 HydrophobicContact CB-CZ 4.48Å; K1253-F1255 WeakPolarHBondContact O-CD2 3.5Å |
| 1254 | L | 90 | Very high | 86.5 | Confident | 52 Ų | 52 | 76.7 Ų | 76.7 | 27% | 0.272 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 126.8 | 178.9 | -175.8 | 62.6 | 0 | 0 | 0 | 111.2 | V1216 F1233 A1236 K1237 V1240 | V1216-L1254 HydrophobicContact CB-CD1 4.14Å; V1216-L1254 HydrophobicContact CG1-CD1 3.89Å; V1216-L1254 CarbonylContact O-C 3.52Å; V1216-L1254 WeakPolarHBondContact O-CA 3.15Å; F1233-L1254 HydrophobicContact CD2-CD2 3.94Å; F1233-L1254 HydrophobicContact CE2-CD2 3.72Å; A1236-L1254 HydrophobicContact CB-CD1 3.64Å; A1236-L1254 HydrophobicContact CB-CD2 3.95Å; A1236-L1254 HydrophobicContact CB-CG 4.48Å; K1237-L1254 HydrophobicContact CG-CD2 4.31Å; V1240-L1254 HydrophobicContact CG2-CB 4.45Å |
| 1255 | F | 90.7 | Very high | 86.6 | Confident | 87 Ų | 87 | 82.4 Ų | 82.4 | 38% | 0.382 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 155.1 | 175.1 | -73 | -88.8 | 0 | 0 | 0 | 110.6 | Q1215 V1216 Y1217 L1218 K1253 | Q1215-F1255 HydrophobicContact CB-CD2 4.12Å; Q1215-F1255 HydrophobicContact CB-CE2 4.33Å; Q1215-F1255 HydrophobicContact CG-CD2 4.15Å; Q1215-F1255 HydrophobicContact CG-CE2 3.86Å; Q1215-F1255 VanDerWaalsContact NE2-CE2 3.26Å; V1216-F1255 PolarHBondContact O-N 2.97Å; Y1217-F1255 CarbonylContact C-O 3.27Å; Y1217-F1255 WeakPolarHBondContact CA-O 3.15Å; Y1217-F1255 HydrophobicContact CD1-CB 3.87Å; Y1217-F1255 HydrophobicContact CE1-CB 3.99Å; Y1217-F1255 HydrophobicContact CE1-CG 4.47Å; Y1217-F1255 HydrophobicContact CG-CB 4.49Å; L1218-F1255 PolarHBondContact N-O 2.96Å; K1253-F1255 HydrophobicContact CB-CD2 4.35Å; K1253-F1255 HydrophobicContact CB-CE2 3.68Å; K1253-F1255 HydrophobicContact CB-CZ 4.48Å; K1253-F1255 WeakPolarHBondContact O-CD2 3.5Å |
| 1256 | F | 90.6 | Very high | 86.9 | Confident | 120 Ų | 120 | 79.5 Ų | 79.5 | 53% | 0.526 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 137.1 | 171.7 | 178.9 | -96.6 | 0 | 0 | 0 | 109.3 | L1218 A1220 I1229 A1258 | L1218-F1256 HydrophobicContact CB-CD2 4.1Å; L1218-F1256 HydrophobicContact CD2-CD2 3.96Å; L1218-F1256 HydrophobicContact CD2-CE2 4.39Å; L1218-F1256 HydrophobicContact CG-CD2 4.1Å; L1218-F1256 WeakPolarHBondContact O-CA 3.46Å; A1220-F1256 HydrophobicContact CB-CE2 3.7Å; A1220-F1256 HydrophobicContact CB-CZ 3.69Å; I1229-F1256 HydrophobicContact CG2-CE2 4.49Å; F1256-A1258 HydrophobicContact CE1-CB 4.27Å |
| 1257 | T | 88.5 | Confident | 87.3 | Confident | 10 Ų | 10 | 79.2 Ų | 79.2 | 6% | 0.061 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 139.9 | 172.3 | -171.2 | 0 | 0 | 0 | 0 | 108.7 | Y1217 L1218 W1219 A1220 K1261 F1266 | Y1217-T1257 HydrophobicContact CD1-CG2 4.34Å; L1218-T1257 PolarHBondContact O-N 2.79Å; L1218-T1257 VanDerWaalsContact O-O 3.12Å; W1219-T1257 VanDerWaalsContact CA-O 3.29Å; W1219-T1257 WeakPolarHBondContact CA-O 3.39Å; W1219-T1257 HydrophobicContact CB-CG2 3.87Å; W1219-T1257 HydrophobicContact CG-CG2 4.16Å; A1220-T1257 PolarHBondContact N-O 3.1Å; T1257-K1261 PolarHBondContact OG1-O 2.79Å; T1257-K1261 VanDerWaalsContact OG1-O 3.09Å; T1257-F1266 HydrophobicContact CG2-CD2 4.16Å; T1257-F1266 HydrophobicContact CG2-CE2 4.2Å |
| 1258 | A | 86.4 | Confident | 87.6 | Confident | 36 Ų | 36 | 78.4 Ų | 78.4 | 30% | 0.298 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 154.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | F1256 G1260 K1261 | F1256-A1258 HydrophobicContact CE1-CB 4.27Å; A1258-G1260 PolarHBondContact O-N 2.93Å; A1258-K1261 PolarHBondContact O-N 2.93Å |
| 1259 | K | 85.4 | Confident | 88.2 | Confident | 58 Ų | 58 | 70.7 Ų | 70.7 | 25% | 0.252 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -45.8 | 130.3 | 172.8 | -176.5 | 177.6 | 179.2 | 179.5 | 0 | 111.6 | D1204 W1219 A1220 A1222 K1261 E1262 | D1204-K1259 WeakPolarHBondContact OD1-CD 3.48Å; D1204-K1259 WeakPolarHBondContact OD1-CE 3.28Å; D1204-K1259 IonicContact OD1-NZ 2.73Å; D1204-K1259 PolarHBondContact OD1-NZ 2.95Å; D1204-K1259 IonicContact OD2-NZ 3.78Å; D1204-K1259 PolarHBondContact OD2-NZ 3.23Å; W1219-K1259 HydrophobicContact CZ2-CB 3.86Å; W1219-K1259 HydrophobicContact CZ2-CD 4.39Å; W1219-K1259 HydrophobicContact CZ2-CG 4.08Å; A1220-K1259 PolarHBondContact O-N 3.32Å; A1220-K1259 VanDerWaalsContact O-N 3.13Å; A1222-K1259 HydrophobicContact CB-CD 4.34Å; K1259-K1261 VanDerWaalsContact C-N 3.31Å; K1259-K1261 PolarHBondContact O-N 3.27Å; K1259-E1262 VanDerWaalsContact CA-OE1 3.3Å; K1259-E1262 WeakPolarHBondContact CA-OE1 3.46Å |
| 1260 | G | 83.2 | Confident | 88.6 | Confident | 65 Ų | 65 | 64.3 Ų | 64.3 | 67% | 0.67 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.5 | -4.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | A1258 E1262 | A1258-G1260 PolarHBondContact O-N 2.93Å; G1260-E1262 VanDerWaalsContact C-OE2 3.22Å; G1260-E1262 WeakPolarHBondContact CA-OE2 3.28Å; G1260-E1262 VanDerWaalsContact N-CD 3.26Å; G1260-E1262 PolarHBondContact N-OE1 3.3Å; G1260-E1262 PolarHBondContact N-OE2 3.06Å |
| 1261 | K | 86.4 | Confident | 89.1 | Confident | 172 Ų | 172 | 62.5 Ų | 62.5 | 75% | 0.748 | 31% | 0.306 | S | S | * | . | trans | -116.4 | 27.8 | 175.1 | -63 | -171.1 | 179.2 | -178.8 | 0 | 112.2 | T1257 A1258 K1259 A1263 | T1257-K1261 PolarHBondContact OG1-O 2.79Å; T1257-K1261 VanDerWaalsContact OG1-O 3.09Å; A1258-K1261 PolarHBondContact O-N 2.93Å; K1259-K1261 VanDerWaalsContact C-N 3.31Å; K1259-K1261 PolarHBondContact O-N 3.27Å; K1261-A1263 PolarHBondContact O-N 2.72Å | ||
| 1262 | E | 90.1 | Very high | 89.2 | Confident | 25 Ų | 25 | 57.9 Ų | 57.9 | 12% | 0.117 | 29% | 0.286 | C | S | . | . | trans | -73.3 | 117 | -177.1 | -58.7 | 87.5 | 168.7 | 0 | 0 | 111.8 | W1219 K1259 G1260 F1266 R1267 W1273 | W1219-E1262 PolarHBondContact NE1-OE1 2.89Å; K1259-E1262 VanDerWaalsContact CA-OE1 3.3Å; K1259-E1262 WeakPolarHBondContact CA-OE1 3.46Å; G1260-E1262 VanDerWaalsContact C-OE2 3.22Å; G1260-E1262 WeakPolarHBondContact CA-OE2 3.28Å; G1260-E1262 VanDerWaalsContact N-CD 3.26Å; G1260-E1262 PolarHBondContact N-OE1 3.3Å; G1260-E1262 PolarHBondContact N-OE2 3.06Å; E1262-F1266 HydrophobicContact CB-CD1 3.74Å; E1262-F1266 HydrophobicContact CB-CE1 4.35Å; E1262-F1266 HydrophobicContact CB-CG 4.41Å; E1262-F1266 HydrophobicContact CG-CD1 3.72Å; E1262-F1266 HydrophobicContact CG-CE1 3.82Å; E1262-R1267 HydrophobicContact CB-CG 3.83Å; E1262-R1267 PolarHBondContact O-NE 3.05Å; E1262-W1273 HydrophobicContact CB-CH2 4.44Å; E1262-W1273 HydrophobicContact CB-CZ2 4.14Å; E1262-W1273 HydrophobicContact CG-CH2 3.99Å; E1262-W1273 HydrophobicContact CG-CZ2 3.95Å | ||
| 1263 | A | 87.6 | Confident | 89.2 | Confident | 50 Ų | 50 | 59.7 Ų | 59.7 | 41% | 0.413 | 29% | 0.293 | S | S | . | . | trans | -63.5 | 156.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | K1261 R1265 F1266 R1267 | K1261-A1263 PolarHBondContact O-N 2.72Å; A1263-R1265 PolarHBondContact O-N 3.47Å; A1263-F1266 WeakPolarHBondContact O-CB 3.49Å; A1263-F1266 PolarHBondContact O-N 2.96Å; A1263-R1267 PolarHBondContact O-N 3.03Å; A1263-R1267 VanDerWaalsContact O-N 3.09Å | ||
| 1264 | Q | 86.9 | Confident | 88.9 | Confident | 77 Ų | 77 | 53.7 Ų | 53.7 | 36% | 0.36 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -53 | -42.2 | 177.7 | -165.9 | -71 | -14.3 | 0 | 0 | 111.4 | F1266 R1267 K1268 | Q1264-F1266 PolarHBondContact O-N 3.12Å; Q1264-F1266 VanDerWaalsContact O-N 3.14Å; Q1264-R1267 PolarHBondContact O-N 2.81Å; Q1264-K1268 PolarHBondContact O-N 2.86Å |
| 1265 | R | 89.1 | Confident | 88.2 | Confident | 145 Ų | 145 | 58.8 Ų | 58.8 | 55% | 0.547 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.4 | -24.8 | -179.2 | -67.3 | -175.8 | -179.8 | -171.1 | 0.3 | 114.1 | Y1217 A1263 C1269 | Y1217-R1265 WeakPolarHBondContact OH-CB 3.2Å; A1263-R1265 PolarHBondContact O-N 3.47Å; R1265-C1269 PolarHBondContact O-SG 2.74Å |
| 1266 | F | 91.9 | Very high | 87 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -80.3 | -52.7 | 170 | -179.9 | -88.7 | 0 | 0 | 0 | 109.8 | L1202 L1210 Y1217 W1219 T1257 E1262 A1263 Q1264 K1268 C1269 F1270 W1273 | L1202-F1266 HydrophobicContact CD1-CE1 4.11Å; L1202-F1266 HydrophobicContact CD1-CZ 4.31Å; L1202-F1266 HydrophobicContact CD2-CZ 4.37Å; L1210-F1266 HydrophobicContact CB-CD2 4.38Å; L1210-F1266 HydrophobicContact CB-CE2 3.87Å; L1210-F1266 HydrophobicContact CD2-CD2 3.45Å; L1210-F1266 VanDerWaalsContact CD2-CD2 3.45Å; L1210-F1266 HydrophobicContact CD2-CE2 3.51Å; L1210-F1266 HydrophobicContact CD2-CG 4.08Å; L1210-F1266 HydrophobicContact CD2-CZ 4.19Å; L1210-F1266 HydrophobicContact CG-CE2 4.37Å; Y1217-F1266 HydrophobicContact CD1-CB 4.35Å; Y1217-F1266 HydrophobicContact CD1-CD2 4Å; Y1217-F1266 HydrophobicContact CD2-CD2 4.2Å; Y1217-F1266 HydrophobicContact CE1-CB 4.3Å; Y1217-F1266 AromaticContact CG-CD2 3.69Å; Y1217-F1266 HydrophobicContact CG-CD2 3.69Å; Y1217-F1266 HydrophobicContact CG-CE2 4.47Å; W1219-F1266 HydrophobicContact CB-CE2 3.91Å; W1219-F1266 HydrophobicContact CB-CZ 3.82Å; W1219-F1266 AromaticContact CD1-CE1 3.86Å; W1219-F1266 AromaticContact CD1-CZ 3.55Å; W1219-F1266 HydrophobicContact CG-CE2 4.36Å; W1219-F1266 AromaticContact CG-CZ 3.81Å; W1219-F1266 HydrophobicContact CG-CZ 3.81Å; T1257-F1266 HydrophobicContact CG2-CD2 4.16Å; T1257-F1266 HydrophobicContact CG2-CE2 4.2Å; E1262-F1266 HydrophobicContact CB-CD1 3.74Å; E1262-F1266 HydrophobicContact CB-CE1 4.35Å; E1262-F1266 HydrophobicContact CB-CG 4.41Å; E1262-F1266 HydrophobicContact CG-CD1 3.72Å; E1262-F1266 HydrophobicContact CG-CE1 3.82Å; A1263-F1266 WeakPolarHBondContact O-CB 3.49Å; A1263-F1266 PolarHBondContact O-N 2.96Å; Q1264-F1266 PolarHBondContact O-N 3.12Å; Q1264-F1266 VanDerWaalsContact O-N 3.14Å; F1266-K1268 VanDerWaalsContact C-N 3.3Å; F1266-K1268 PolarHBondContact O-N 2.68Å; F1266-C1269 WeakPolarHBondContact O-CB 3.41Å; F1266-C1269 PolarHBondContact O-N 3.08Å; F1266-C1269 VanDerWaalsContact O-N 3.1Å; F1266-F1270 HydrophobicContact CD1-CD2 4.46Å; F1266-F1270 AromaticContact CD1-CE2 3.87Å; F1266-F1270 HydrophobicContact CD1-CE2 3.87Å; F1266-F1270 HydrophobicContact CE1-CD2 4.28Å; F1266-F1270 AromaticContact CE1-CE2 3.41Å; F1266-F1270 HydrophobicContact CE1-CE2 3.41Å; F1266-F1270 VanDerWaalsContact CE1-CE2 3.41Å; F1266-F1270 HydrophobicContact CE1-CZ 4.03Å; F1266-F1270 HydrophobicContact CE2-CE2 4.36Å; F1266-F1270 AromaticContact CZ-CE2 3.7Å; F1266-F1270 HydrophobicContact CZ-CE2 3.7Å; F1266-F1270 AromaticContact CZ-CZ 3.95Å; F1266-F1270 HydrophobicContact CZ-CZ 3.95Å; F1266-W1273 HydrophobicContact CD1-CH2 4.15Å; F1266-W1273 HydrophobicContact CD1-CZ3 4.22Å; F1266-W1273 AromaticContact CE1-CH2 3.76Å; F1266-W1273 HydrophobicContact CE1-CH2 3.76Å; F1266-W1273 AromaticContact CE1-CZ3 3.88Å; F1266-W1273 HydrophobicContact CE1-CZ3 3.88Å |
| 1267 | R | 90.7 | Very high | 85.5 | Confident | 105 Ų | 105 | 54.8 Ų | 54.8 | 40% | 0.396 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -57.7 | -36.3 | -176.1 | -64.4 | -170.1 | -85.6 | 155.1 | -0.4 | 113.7 | E1262 A1263 Q1264 C1269 F1270 W1273 | E1262-R1267 HydrophobicContact CB-CG 3.83Å; E1262-R1267 PolarHBondContact O-NE 3.05Å; A1263-R1267 PolarHBondContact O-N 3.03Å; A1263-R1267 VanDerWaalsContact O-N 3.09Å; Q1264-R1267 PolarHBondContact O-N 2.81Å; R1267-C1269 PolarHBondContact O-N 3.49Å; R1267-F1270 PolarHBondContact O-N 3.41Å; R1267-F1270 VanDerWaalsContact O-N 3.11Å; R1267-W1273 HydrophobicContact CB-CB 4.29Å; R1267-W1273 HydrophobicContact CB-CD2 3.84Å; R1267-W1273 HydrophobicContact CB-CE3 4.2Å; R1267-W1273 HydrophobicContact CB-CG 3.87Å; R1267-W1273 VanDerWaalsContact CD-CD1 3.44Å; R1267-W1273 HydrophobicContact CG-CD2 3.6Å; R1267-W1273 HydrophobicContact CG-CE3 4.13Å; R1267-W1273 HydrophobicContact CG-CG 3.92Å; R1267-W1273 HydrophobicContact CG-CH2 4.44Å; R1267-W1273 HydrophobicContact CG-CZ2 3.96Å |
| 1268 | K | 90.4 | Very high | 83.9 | Confident | 43 Ų | 43 | 58.1 Ų | 58.1 | 19% | 0.187 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -23.2 | 179.2 | 70.9 | 172.3 | -176 | 165.7 | 0 | 114.5 | R1069 D1167 F1172 Q1264 F1266 F1270 | R1069-K1268 PolarHBondContact NH1-O 3.29Å; D1167-K1268 WeakPolarHBondContact OD2-CD 3.07Å; D1167-K1268 IonicContact OD2-NZ 2.79Å; D1167-K1268 PolarHBondContact OD2-NZ 3.17Å; F1172-K1268 HydrophobicContact CD1-CD 4.27Å; F1172-K1268 HydrophobicContact CE1-CD 4.14Å; F1172-K1268 WeakPolarHBondContact CE2-O 3.49Å; Q1264-K1268 PolarHBondContact O-N 2.86Å; F1266-K1268 VanDerWaalsContact C-N 3.3Å; F1266-K1268 PolarHBondContact O-N 2.68Å; K1268-F1270 PolarHBondContact O-N 3.16Å |
| 1269 | C | 92.5 | Very high | 81.7 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -21.7 | 178.7 | -57.3 | 0 | 0 | 0 | 0 | 111.5 | R1069 L1210 R1265 F1266 R1267 | R1069-C1269 PolarHBondContact NH2-O 3.47Å; L1210-C1269 HydrophobicContact CD1-CB 4.2Å; L1210-C1269 HydrophobicContact CD2-CB 3.78Å; L1210-C1269 HydrophobicContact CG-CB 4.49Å; R1265-C1269 PolarHBondContact O-SG 2.74Å; F1266-C1269 WeakPolarHBondContact O-CB 3.41Å; F1266-C1269 PolarHBondContact O-N 3.08Å; F1266-C1269 VanDerWaalsContact O-N 3.1Å; R1267-C1269 PolarHBondContact O-N 3.49Å |
| 1270 | F | 93.3 | Very high | 79.2 | Confident | 5 Ų | 5 | 64.3 Ų | 64.3 | 2% | 0.022 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -100.2 | 141.1 | 178.6 | -58.2 | -91.5 | 0 | 0 | 0 | 110.7 | L1178 F1197 C1198 L1202 L1210 F1266 R1267 K1268 W1273 | L1178-F1270 HydrophobicContact CD1-CZ 4.38Å; L1178-F1270 HydrophobicContact CD2-CE1 4.34Å; F1197-F1270 AromaticContact CD2-CD1 3.75Å; F1197-F1270 HydrophobicContact CD2-CD1 3.75Å; F1197-F1270 AromaticContact CD2-CE1 3.6Å; F1197-F1270 HydrophobicContact CD2-CE1 3.6Å; F1197-F1270 HydrophobicContact CD2-CZ 4.42Å; F1197-F1270 AromaticContact CE2-CD1 3.88Å; F1197-F1270 HydrophobicContact CE2-CD1 3.88Å; F1197-F1270 AromaticContact CE2-CE1 3.78Å; F1197-F1270 HydrophobicContact CE2-CE1 3.78Å; F1197-F1270 HydrophobicContact CE2-CG 4.44Å; F1197-F1270 HydrophobicContact CE2-CZ 4.22Å; C1198-F1270 WeakPolarHBondContact O-CD1 3.26Å; C1198-F1270 WeakPolarHBondContact O-CE1 3.3Å; L1202-F1270 HydrophobicContact CD1-CE1 4.4Å; L1202-F1270 HydrophobicContact CD1-CZ 4.14Å; L1202-F1270 HydrophobicContact CD2-CE1 4.32Å; L1202-F1270 HydrophobicContact CD2-CZ 4.01Å; L1202-F1270 HydrophobicContact CG-CE1 4.27Å; L1202-F1270 HydrophobicContact CG-CZ 4.27Å; L1210-F1270 HydrophobicContact CD2-CE2 3.82Å; L1210-F1270 HydrophobicContact CD2-CZ 4.27Å; F1266-F1270 HydrophobicContact CD1-CD2 4.46Å; F1266-F1270 AromaticContact CD1-CE2 3.87Å; F1266-F1270 HydrophobicContact CD1-CE2 3.87Å; F1266-F1270 HydrophobicContact CE1-CD2 4.28Å; F1266-F1270 AromaticContact CE1-CE2 3.41Å; F1266-F1270 HydrophobicContact CE1-CE2 3.41Å; F1266-F1270 VanDerWaalsContact CE1-CE2 3.41Å; F1266-F1270 HydrophobicContact CE1-CZ 4.03Å; F1266-F1270 HydrophobicContact CE2-CE2 4.36Å; F1266-F1270 AromaticContact CZ-CE2 3.7Å; F1266-F1270 HydrophobicContact CZ-CE2 3.7Å; F1266-F1270 AromaticContact CZ-CZ 3.95Å; F1266-F1270 HydrophobicContact CZ-CZ 3.95Å; R1267-F1270 PolarHBondContact O-N 3.41Å; R1267-F1270 VanDerWaalsContact O-N 3.11Å; K1268-F1270 PolarHBondContact O-N 3.16Å; F1270-W1273 HydrophobicContact CB-CE3 3.85Å; F1270-W1273 HydrophobicContact CB-CZ3 4.38Å; F1270-W1273 AromaticContact CD2-CE3 3.69Å; F1270-W1273 HydrophobicContact CD2-CE3 3.69Å; F1270-W1273 AromaticContact CD2-CZ3 3.5Å; F1270-W1273 HydrophobicContact CD2-CZ3 3.5Å; F1270-W1273 HydrophobicContact CE2-CE3 4.48Å; F1270-W1273 AromaticContact CE2-CZ3 3.85Å; F1270-W1273 HydrophobicContact CE2-CZ3 3.85Å; F1270-W1273 AromaticContact CG-CE3 3.86Å; F1270-W1273 HydrophobicContact CG-CE3 3.86Å; F1270-W1273 AromaticContact CG-CZ3 3.88Å; F1270-W1273 HydrophobicContact CG-CZ3 3.88Å; F1270-W1273 HydrophobicContact CZ-CZ3 4.48Å |
| 1271 | H | 92.8 | Very high | 76.9 | Confident | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.005 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | 125.2 | 177.2 | -177 | -155.8 | 0 | 0 | 0 | 110.6 | Q1030 H1067 R1078 I1080 | Q1030-H1271 PolarHBondContact NE2-O 3.36Å; H1067-H1271 AromaticContact CE1-CD2 3.9Å; H1067-H1271 AromaticContact CG-NE2 3.99Å; H1067-H1271 AromaticContact ND1-CD2 3.52Å; H1067-H1271 AromaticContact ND1-NE2 3.88Å; H1067-H1271 PolarHBondContact O-NE2 3.35Å; R1078-H1271 PolarHBondContact O-CE1 3.43Å; I1080-H1271 VanDerWaalsContact CD1-CE1 3.47Å; I1080-H1271 WeakPolarHBondContact CD1-CE1 3.41Å; I1080-H1271 WeakPolarHBondContact CD1-ND1 3.17Å |
| 1272 | A | 89.3 | Confident | 74.3 | Confident | 9 Ų | 9 | 64.6 Ų | 64.6 | 7% | 0.074 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | 54.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | I1080 I1082 G1274 | I1080-A1272 HydrophobicContact CB-CB 3.77Å; I1080-A1272 HydrophobicContact CD1-CB 4.09Å; I1080-A1272 HydrophobicContact CG2-CB 3.43Å; I1080-A1272 VanDerWaalsContact CG2-CB 3.43Å; I1082-A1272 HydrophobicContact CG2-CB 3.74Å; A1272-G1274 PolarHBondContact O-N 2.78Å |
| 1273 | W | 89.1 | Confident | 71.5 | Confident | 51 Ų | 51 | 69.2 Ų | 69.2 | 19% | 0.193 | 40% | 0.399 | C | S | . | . | trans | -55 | 130.5 | 173.7 | -171.5 | -78.8 | 0 | 0 | 0 | 112 | Q1199 L1202 E1262 F1266 R1267 F1270 | Q1199-W1273 HydrophobicContact CB-CE3 4.24Å; Q1199-W1273 HydrophobicContact CB-CZ3 4.37Å; Q1199-W1273 HydrophobicContact CG-CD2 4.21Å; Q1199-W1273 HydrophobicContact CG-CE3 3.77Å; Q1199-W1273 HydrophobicContact CG-CH2 4.07Å; Q1199-W1273 HydrophobicContact CG-CZ2 4.48Å; Q1199-W1273 HydrophobicContact CG-CZ3 3.69Å; Q1199-W1273 VanDerWaalsContact NE2-CD2 3.34Å; Q1199-W1273 VanDerWaalsContact NE2-CZ2 3.32Å; L1202-W1273 HydrophobicContact CD1-CH2 3.67Å; L1202-W1273 HydrophobicContact CD1-CZ3 3.82Å; E1262-W1273 HydrophobicContact CB-CH2 4.44Å; E1262-W1273 HydrophobicContact CB-CZ2 4.14Å; E1262-W1273 HydrophobicContact CG-CH2 3.99Å; E1262-W1273 HydrophobicContact CG-CZ2 3.95Å; F1266-W1273 HydrophobicContact CD1-CH2 4.15Å; F1266-W1273 HydrophobicContact CD1-CZ3 4.22Å; F1266-W1273 AromaticContact CE1-CH2 3.76Å; F1266-W1273 HydrophobicContact CE1-CH2 3.76Å; F1266-W1273 AromaticContact CE1-CZ3 3.88Å; F1266-W1273 HydrophobicContact CE1-CZ3 3.88Å; R1267-W1273 HydrophobicContact CB-CB 4.29Å; R1267-W1273 HydrophobicContact CB-CD2 3.84Å; R1267-W1273 HydrophobicContact CB-CE3 4.2Å; R1267-W1273 HydrophobicContact CB-CG 3.87Å; R1267-W1273 VanDerWaalsContact CD-CD1 3.44Å; R1267-W1273 HydrophobicContact CG-CD2 3.6Å; R1267-W1273 HydrophobicContact CG-CE3 4.13Å; R1267-W1273 HydrophobicContact CG-CG 3.92Å; R1267-W1273 HydrophobicContact CG-CH2 4.44Å; R1267-W1273 HydrophobicContact CG-CZ2 3.96Å; F1270-W1273 HydrophobicContact CB-CE3 3.85Å; F1270-W1273 HydrophobicContact CB-CZ3 4.38Å; F1270-W1273 AromaticContact CD2-CE3 3.69Å; F1270-W1273 HydrophobicContact CD2-CE3 3.69Å; F1270-W1273 AromaticContact CD2-CZ3 3.5Å; F1270-W1273 HydrophobicContact CD2-CZ3 3.5Å; F1270-W1273 HydrophobicContact CE2-CE3 4.48Å; F1270-W1273 AromaticContact CE2-CZ3 3.85Å; F1270-W1273 HydrophobicContact CE2-CZ3 3.85Å; F1270-W1273 AromaticContact CG-CE3 3.86Å; F1270-W1273 HydrophobicContact CG-CE3 3.86Å; F1270-W1273 AromaticContact CG-CZ3 3.88Å; F1270-W1273 HydrophobicContact CG-CZ3 3.88Å; F1270-W1273 HydrophobicContact CZ-CZ3 4.48Å | ||
| 1274 | G | 82.7 | Confident | 70.7 | Confident | 16 Ų | 16 | 70.2 Ų | 70.2 | 17% | 0.165 | 40% | 0.398 | C | S | . | . | trans | -141.9 | -165.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q1199 A1272 H1276 | Q1199-G1274 PolarHBondContact NE2-O 3.26Å; A1272-G1274 PolarHBondContact O-N 2.78Å; G1274-H1276 PolarHBondContact O-N 2.83Å | ||
| 1275 | K | 74.3 | Confident | 69.9 | Low | 159 Ų | 159 | 69.8 Ų | 69.8 | 69% | 0.691 | 40% | 0.4 | S | S | * | . | trans | -65.2 | 120.8 | 170.8 | -64.9 | -173.9 | -179.3 | -173.9 | 0 | 108.3 | ||||
| 1276 | H | 64.8 | Low | 68.8 | Low | 20 Ų | 20 | 65.7 Ų | 65.7 | 9% | 0.093 | 39% | 0.392 | C | S | . | . | trans | -118.4 | 124.6 | -173 | 167.5 | -94.2 | 0 | 0 | 0 | 111.3 | Q1199 D1200 G1274 V1278 | Q1199-H1276 HydrophobicContact CG-CB 4.16Å; D1200-H1276 IonicContact OD1-CD2 2.86Å; G1274-H1276 PolarHBondContact O-N 2.83Å; H1276-V1278 VanDerWaalsContact C-N 3.25Å; H1276-V1278 PolarHBondContact O-N 3.33Å; H1276-V1278 VanDerWaalsContact O-N 3.15Å | ||
| 1277 | K | 59.4 | Low | 67.4 | Low | 104 Ų | 104 | 69.5 Ų | 69.5 | 45% | 0.452 | 42% | 0.415 | S | S | . | . | S | Bend | trans | 45.2 | 45.6 | 175.5 | -62.3 | 179.5 | -173.8 | 163.2 | 0 | 113.4 | L1202 | L1202-K1277 PolarHBondContact O-NZ 2.05Š|
| 1278 | V | 55.2 | Low | 66 | Low | 79 Ų | 79 | 67.3 Ų | 67.3 | 48% | 0.479 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -88.3 | 127.3 | 168.4 | -176.3 | 0 | 0 | 0 | 0 | 107.1 | H1276 E1282 | H1276-V1278 VanDerWaalsContact C-N 3.25Å; H1276-V1278 PolarHBondContact O-N 3.33Å; H1276-V1278 VanDerWaalsContact O-N 3.15Å; V1278-E1282 HydrophobicContact CG1-CB 4.34Å |
| 1279 | P | 40.7 | Very low | 64.4 | Low | 83 Ų | 83 | 68.9 Ų | 68.9 | 54% | 0.539 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -55.2 | 142.2 | 176.4 | -21.6 | 31.1 | 0 | 0 | 0 | 111.1 | G1281 | P1279-G1281 PolarHBondContact O-N 3.39Å; P1279-G1281 VanDerWaalsContact O-N 3.09Å |
| 1280 | P | 33.3 | Very low | 62.3 | Low | 142 Ų | 142 | 73.9 Ų | 73.9 | 92% | 0.922 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 118.1 | 170.9 | -17.2 | 28.3 | 0 | 0 | 0 | 109.5 | ||
| 1281 | G | 34.8 | Very low | 60 | Low | 80 Ų | 80 | 79.2 Ų | 79.2 | 83% | 0.825 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 130.6 | -15.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | P1279 | P1279-G1281 PolarHBondContact O-N 3.39Å; P1279-G1281 VanDerWaalsContact O-N 3.09Å |
| 1282 | E | 32.4 | Very low | 57.2 | Low | 163 Ų | 163 | 85.7 Ų | 85.7 | 76% | 0.762 | 54% | 0.538 | S | S | * | . | trans | -100.5 | 9.8 | 177 | -74.9 | -170.5 | 159.9 | 0 | 0 | 114.3 | V1278 | V1278-E1282 HydrophobicContact CG1-CB 4.34Š| ||
| 1283 | G | 30.8 | Very low | 54.3 | Low | 122 Ų | 122 | 92.6 Ų | 92.6 | 100% | 1.258 | 58% | 0.58 | S | S | * | * | trans | -89.8 | 0 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.7 |
Retrieved 1,283 of 1,283 residues in 2132.1 ms
(Link to these results)