| 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 | 78.9 | Confident | 63.7 | Low | 56 Ų | 56 | 75.8 Ų | 75.8 | 28% | 0.276 | 40% | 0.401 | S | S | . | . | 0 | 160.9 | 0 | -75.8 | 150.9 | -66 | 0 | 0 | 108.6 | K67 A94 W95 E96 D99 V101 | M1-K67 HydrophobicContact SD-CD 4.19Å; M1-A94 HydrophobicContact SD-CB 4.15Å; M1-W95 VanDerWaalsContact CE-CA 3.44Å; M1-W95 HydrophobicContact CE-CB 4.35Å; M1-E96 HydrophobicContact CE-CB 4.47Å; M1-E96 HydrophobicContact CE-CG 4.1Å; M1-D99 WeakPolarHBondContact CE-O 3.31Å; M1-V101 HydrophobicContact CB-CB 4.32Å; M1-V101 HydrophobicContact CB-CG1 3.98Å; M1-V101 HydrophobicContact CG-CG1 4.37Å; M1-V101 HydrophobicContact SD-CG1 4.18Å | |||
| 2 | V | 85.5 | Confident | 65.1 | Low | 30 Ų | 30 | 71.6 Ų | 71.6 | 18% | 0.182 | 38% | 0.38 | C | S | . | . | trans | -138.4 | 152.1 | -176.2 | -68.8 | 0 | 0 | 0 | 0 | 111 | G4 M11 T56 | V2-G4 WeakPolarHBondContact CG2-O 3.14Å; V2-M11 HydrophobicContact CG1-CE 4Å; V2-T56 WeakPolarHBondContact O-CB 3.5Å; V2-T56 WeakPolarHBondContact O-CG2 3.38Å; V2-T56 PolarHBondContact O-OG1 2.86Å; V2-T56 VanDerWaalsContact O-OG1 3.07Å | ||
| 3 | C | 85.5 | Confident | 66.8 | Low | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -95.4 | 80.4 | 164.4 | -80.6 | 0 | 0 | 0 | 0 | 108.8 | M30 V101 C134 I135 I136 | C3-M30 WeakPolarHBondContact O-CE 2.99Å; C3-V101 VanDerWaalsContact SG-CG2 3.56Å; C3-C134 WeakPolarHBondContact CA-SG 3.21Å; C3-C134 HydrophobicContact CB-CB 3.65Å; C3-C134 WeakPolarHBondContact CB-SG 3.36Å; C3-C134 VanDerWaalsContact SG-CA 3.6Å; C3-C134 WeakPolarHBondContact SG-CB 3.42Å; C3-C134 CovalentContact SG-SG 2.04Å; C3-C134 PolarHBondContact SG-SG 2.75Å; C3-I135 VanDerWaalsContact SG-CA 3.59Å; C3-I135 PolarHBondContact SG-N 2.83Å; C3-I136 HydrophobicContact CB-CD1 4.22Å; C3-I136 HydrophobicContact CB-CG1 4.17Å |
| 4 | G | 69.6 | Low | 68.7 | Low | 1 Ų | 1 | 61.6 Ų | 61.6 | 1% | 0.01 | 33% | 0.327 | C | S | . | . | S | Bend | trans | 104.8 | -159.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | V2 P52 T56 | V2-G4 WeakPolarHBondContact CG2-O 3.14Å; G4-P52 WeakPolarHBondContact CA-O 3.06Å; G4-T56 PolarHBondContact N-OG1 2.98Å; G4-T56 VanDerWaalsContact N-OG1 3.1Å |
| 5 | D | 61.8 | Low | 70.4 | Confident | 41 Ų | 41 | 57.5 Ų | 57.5 | 22% | 0.219 | 31% | 0.306 | C | S | . | . | trans | -76.3 | 143.7 | -161.8 | -166.8 | 7.3 | 0 | 0 | 0 | 114.1 | R7 P52 N55 | D5-R7 HydrophobicContact CB-CG 4.17Å; D5-R7 PolarHBondContact O-N 3.21Å; D5-R7 VanDerWaalsContact O-N 3.13Å; D5-R7 WeakPolarHBondContact OD2-CG 3.44Å; D5-P52 HydrophobicContact CB-CB 4.5Å; D5-N55 PolarHBondContact OD1-ND2 2.64Å | ||
| 6 | I | 47.2 | Very low | 72.1 | Confident | 143 Ų | 143 | 53.9 Ų | 53.9 | 73% | 0.733 | 29% | 0.287 | S | S | * | . | trans | -83.8 | 59.6 | 165.6 | -48.8 | 169 | 0 | 0 | 0 | 107 | ||||
| 7 | R | 51.2 | Low | 73.6 | Confident | 101 Ų | 101 | 50.8 Ų | 50.8 | 38% | 0.381 | 27% | 0.27 | S | S | . | . | trans | -64.6 | 158.2 | 161 | -70.7 | -167.2 | -69.1 | -166.4 | -4.8 | 108 | D5 F9 G10 E38 | D5-R7 HydrophobicContact CB-CG 4.17Å; D5-R7 PolarHBondContact O-N 3.21Å; D5-R7 VanDerWaalsContact O-N 3.13Å; D5-R7 WeakPolarHBondContact OD2-CG 3.44Å; R7-F9 HydrophobicContact CB-CD2 4.39Å; R7-F9 PolarHBondContact O-N 3.5Å; R7-G10 PolarHBondContact O-N 3.48Å; R7-E38 IonicContact CZ-OE1 2.87Å; R7-E38 IonicContact CZ-OE2 3.31Å; R7-E38 IonicContact NH1-OE1 3.68Å; R7-E38 IonicContact NH1-OE2 3.13Å; R7-E38 PolarHBondContact NH1-OE2 3.1Å; R7-E38 IonicContact NH2-OE1 3.39Å; R7-E38 PolarHBondContact NH2-OE1 2.89Å; R7-E38 IonicContact NH2-OE2 3.53Å | ||
| 8 | P | 48.6 | Very low | 74.9 | Confident | 127 Ų | 127 | 47.9 Ų | 47.9 | 83% | 0.825 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -0.5 | -179.9 | 21.8 | -32.9 | 0 | 0 | 0 | 115.3 | ||
| 9 | F | 45.4 | Very low | 76.2 | Confident | 189 Ų | 189 | 45.4 Ų | 45.4 | 83% | 0.829 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | 9.1 | -178.9 | -59.1 | -69.4 | 0 | 0 | 0 | 115 | R7 | R7-F9 HydrophobicContact CB-CD2 4.39Å; R7-F9 PolarHBondContact O-N 3.5Å |
| 10 | G | 58.7 | Low | 77.3 | Confident | 44 Ų | 44 | 43.8 Ų | 43.8 | 45% | 0.454 | 23% | 0.232 | S | C | . | . | trans | 91 | -178.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | R7 | R7-G10 PolarHBondContact O-N 3.48Š| ||
| 11 | M | 67.9 | Low | 78.2 | Confident | 102 Ų | 102 | 43.5 Ų | 43.5 | 50% | 0.502 | 23% | 0.233 | S | C | . | . | trans | -68.9 | 131.6 | -173.7 | -62.9 | -178 | 72.4 | 0 | 0 | 111.4 | V2 F198 | V2-M11 HydrophobicContact CG1-CE 4Å; M11-F198 HydrophobicContact CB-CD1 4.3Å; M11-F198 HydrophobicContact CB-CD2 3.69Å; M11-F198 HydrophobicContact CB-CE1 4.02Å; M11-F198 HydrophobicContact CB-CE2 3.4Å; M11-F198 VanDerWaalsContact CB-CE2 3.4Å; M11-F198 HydrophobicContact CB-CG 4.18Å; M11-F198 HydrophobicContact CB-CZ 3.61Å; M11-F198 HydrophobicContact CE-CE1 4.3Å; M11-F198 HydrophobicContact CE-CE2 3.73Å; M11-F198 HydrophobicContact CE-CZ 3.3Å; M11-F198 HydrophobicContact CG-CE1 4.42Å; M11-F198 HydrophobicContact CG-CE2 4.28Å; M11-F198 HydrophobicContact CG-CZ 4.05Å; M11-F198 HydrophobicContact SD-CE1 3.71Å; M11-F198 HydrophobicContact SD-CE2 4.04Å; M11-F198 HydrophobicContact SD-CZ 3.3Å; M11-F198 WeakPolarHBondContact SD-CZ 3.34Å | ||
| 12 | V | 81.1 | Confident | 79.1 | Confident | 25 Ų | 25 | 47.2 Ų | 47.2 | 15% | 0.152 | 24% | 0.244 | C | C | . | . | trans | -97.6 | 127.9 | -179.5 | 178.3 | 0 | 0 | 0 | 0 | 109.6 | W14 M30 A31 | V12-W14 WeakPolarHBondContact CG1-O 3.1Å; V12-M30 HydrophobicContact CB-CE 4.19Å; V12-M30 HydrophobicContact CG1-CB 4.37Å; V12-M30 HydrophobicContact CG1-CE 3.73Å; V12-M30 HydrophobicContact CG2-CE 4.2Å; V12-A31 HydrophobicContact CG1-CB 3.51Å | ||
| 13 | D | 86.9 | Confident | 79.7 | Confident | 4 Ų | 4 | 47.6 Ų | 47.6 | 2% | 0.021 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -67.5 | -33.3 | 178.4 | -82.5 | -30 | 0 | 0 | 0 | 114.4 | A31 I135 I136 S196 T197 F198 G199 F201 | D13-A31 HydrophobicContact CB-CB 4.26Å; D13-I135 CarbonylContact O-C 3.58Å; D13-I136 PolarHBondContact O-N 3.44Å; D13-S196 WeakPolarHBondContact OD2-CB 3.5Å; D13-S196 PolarHBondContact OD2-OG 3.33Å; D13-T197 PolarHBondContact OD1-N 3.39Å; D13-F198 WeakPolarHBondContact OD1-CB 3.32Å; D13-F198 WeakPolarHBondContact OD1-CD2 3.24Å; D13-F198 PolarHBondContact OD1-N 3.42Å; D13-G199 WeakPolarHBondContact OD2-CA 3.26Å; D13-G199 PolarHBondContact OD2-N 2.83Å; D13-F201 HydrophobicContact CB-CD2 4.15Å; D13-F201 HydrophobicContact CB-CE2 4.47Å; D13-F201 WeakPolarHBondContact OD2-CD2 3.47Å |
| 14 | W | 93.3 | Very high | 80.3 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | 156 | -175.8 | 55.6 | -99.2 | 0 | 0 | 0 | 111.8 | V12 I16 I29 A31 P35 C134 I135 F201 I307 L312 | V12-W14 WeakPolarHBondContact CG1-O 3.1Å; W14-I16 HydrophobicContact CE3-CD1 4.16Å; W14-I16 HydrophobicContact CE3-CG1 4.2Å; W14-I16 HydrophobicContact CZ3-CD1 3.85Å; W14-I16 HydrophobicContact CZ3-CG1 4.25Å; W14-I29 HydrophobicContact CH2-CG2 4.13Å; W14-I29 HydrophobicContact CZ3-CG2 3.92Å; W14-A31 HydrophobicContact CD2-CB 3.65Å; W14-A31 VanDerWaalsContact CE2-CB 3.49Å; W14-A31 HydrophobicContact CE3-CB 4.28Å; W14-A31 HydrophobicContact CG-CB 3.84Å; W14-A31 HydrophobicContact CZ2-CB 4Å; W14-A31 WeakPolarHBondContact O-CB 3.37Å; W14-A31 PolarHBondContact O-N 3.29Å; W14-P35 HydrophobicContact CH2-CB 3.81Å; W14-P35 HydrophobicContact CH2-CG 4.12Å; W14-C134 CarbonylContact C-O 3.52Å; W14-C134 WeakPolarHBondContact CA-O 3.47Å; W14-C134 WeakPolarHBondContact CB-O 3.29Å; W14-I135 HydrophobicContact CB-CG1 4.24Å; W14-F201 AromaticContact CD1-CD2 3.79Å; W14-F201 AromaticContact NE1-CD2 3.27Å; W14-F201 VanDerWaalsContact NE1-CD2 3.27Å; W14-F201 AromaticContact NE1-CE2 3.6Å; W14-F201 AromaticContact NE1-CG 3.56Å; W14-I307 HydrophobicContact CB-CD1 4.22Å; W14-I307 HydrophobicContact CD2-CD1 3.59Å; W14-I307 HydrophobicContact CE3-CD1 3.91Å; W14-I307 HydrophobicContact CG-CD1 3.72Å; W14-I307 HydrophobicContact CZ2-CG2 4.42Å; W14-L312 HydrophobicContact CH2-CD1 4.38Å; W14-L312 HydrophobicContact CH2-CD2 3.88Å; W14-L312 HydrophobicContact CZ2-CD2 4.28Å; W14-L312 HydrophobicContact CZ3-CD2 4.29Å |
| 15 | G | 94.6 | Very high | 81.6 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 141.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | I29 M133 C134 | G15-I29 WeakPolarHBondContact CA-O 3.39Å; G15-M133 CarbonylContact O-C 3.59Å; G15-M133 WeakPolarHBondContact O-CA 3.43Å; G15-C134 PolarHBondContact N-O 3.03Å; G15-C134 PolarHBondContact O-N 3.15Å |
| 16 | I | 96.9 | Very high | 83.3 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 127.1 | 175.1 | -63.8 | 160.5 | 0 | 0 | 0 | 108 | W14 V28 I29 L131 I132 M133 F286 I307 L312 F316 | W14-I16 HydrophobicContact CE3-CD1 4.16Å; W14-I16 HydrophobicContact CE3-CG1 4.2Å; W14-I16 HydrophobicContact CZ3-CD1 3.85Å; W14-I16 HydrophobicContact CZ3-CG1 4.25Å; I16-V28 WeakPolarHBondContact O-CA 3.46Å; I16-I29 HydrophobicContact CB-CB 4.38Å; I16-I29 PolarHBondContact N-O 3.02Å; I16-I29 PolarHBondContact O-N 3.05Å; I16-L131 HydrophobicContact CG2-CD1 3.65Å; I16-I132 WeakPolarHBondContact CA-O 3.46Å; I16-M133 HydrophobicContact CD1-CE 3.92Å; I16-M133 HydrophobicContact CG1-CE 3.84Å; I16-M133 HydrophobicContact CG1-CG 4.46Å; I16-F286 HydrophobicContact CD1-CD1 3.73Å; I16-F286 HydrophobicContact CD1-CE1 3.44Å; I16-F286 VanDerWaalsContact CD1-CE1 3.44Å; I16-F286 HydrophobicContact CD1-CZ 4.49Å; I16-F286 HydrophobicContact CG1-CE1 4.25Å; I16-I307 HydrophobicContact CD1-CD1 4.41Å; I16-L312 HydrophobicContact CD1-CD1 3.79Å; I16-L312 HydrophobicContact CD1-CD2 3.82Å; I16-L312 HydrophobicContact CD1-CG 4.37Å; I16-F316 HydrophobicContact CG2-CZ 4.32Å |
| 17 | F | 97.4 | Very high | 85.8 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 110.4 | -179.3 | -39 | -90.6 | 0 | 0 | 0 | 108.5 | K19 A26 V28 M30 L44 P52 I132 C134 | F17-K19 PolarHBondContact O-N 3.32Å; F17-A26 HydrophobicContact CB-CB 4.21Å; F17-V28 HydrophobicContact CD1-CB 4.3Å; F17-V28 HydrophobicContact CD1-CG1 3.68Å; F17-V28 HydrophobicContact CD1-CG2 3.77Å; F17-V28 HydrophobicContact CE1-CG1 3.73Å; F17-M30 HydrophobicContact CE1-SD 4.13Å; F17-M30 HydrophobicContact CZ-SD 4.35Å; F17-L44 HydrophobicContact CB-CD1 3.93Å; F17-L44 HydrophobicContact CD1-CD2 4.07Å; F17-P52 HydrophobicContact CD1-CG 4.32Å; F17-P52 HydrophobicContact CE1-CB 4Å; F17-P52 HydrophobicContact CE1-CG 3.49Å; F17-P52 VanDerWaalsContact CE1-CG 3.49Å; F17-P52 HydrophobicContact CZ-CB 4.3Å; F17-P52 HydrophobicContact CZ-CG 4.26Å; F17-I132 HydrophobicContact CB-CB 4.14Å; F17-I132 HydrophobicContact CD2-CB 3.94Å; F17-I132 HydrophobicContact CD2-CG2 3.93Å; F17-I132 PolarHBondContact N-O 2.6Å; F17-I132 PolarHBondContact O-N 2.85Å; F17-C134 HydrophobicContact CE2-CB 4.11Å |
| 18 | Y | 98.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 90.4 | 174.6 | -148.3 | -50.1 | 0 | 0 | 0 | 108.3 | L20 A26 E27 A129 A130 L131 V261 I266 D271 S273 W275 F316 | Y18-L20 PolarHBondContact O-N 2.86Å; Y18-A26 VanDerWaalsContact O-CA 3.26Å; Y18-A26 WeakPolarHBondContact O-CA 3.41Å; Y18-E27 PolarHBondContact N-O 2.87Å; Y18-E27 PolarHBondContact O-N 2.97Å; Y18-A129 HydrophobicContact CE1-CB 4.27Å; Y18-A130 CarbonylContact C-O 3.59Å; Y18-L131 HydrophobicContact CD2-CD1 3.73Å; Y18-L131 HydrophobicContact CE2-CD1 4.33Å; Y18-L131 HydrophobicContact CG-CD1 4.01Å; Y18-V261 HydrophobicContact CD1-CG1 4.35Å; Y18-V261 HydrophobicContact CD1-CG2 4.14Å; Y18-V261 HydrophobicContact CD2-CG1 3.83Å; Y18-V261 HydrophobicContact CD2-CG2 3.81Å; Y18-V261 HydrophobicContact CE1-CG2 3.92Å; Y18-V261 HydrophobicContact CE2-CG1 4.44Å; Y18-V261 HydrophobicContact CE2-CG2 3.56Å; Y18-V261 HydrophobicContact CG-CG1 3.77Å; Y18-V261 HydrophobicContact CG-CG2 4.08Å; Y18-I266 HydrophobicContact CD1-CD1 4.19Å; Y18-I266 HydrophobicContact CE1-CD1 3.9Å; Y18-D271 PolarHBondContact OH-OD2 2.88Å; Y18-S273 PolarHBondContact OH-OG 3.38Å; Y18-W275 AromaticContact CE2-NE1 3.99Å; Y18-F316 HydrophobicContact CD2-CE1 4.19Å; Y18-F316 HydrophobicContact CD2-CZ 4.39Å; Y18-F316 HydrophobicContact CE2-CE1 4.13Å |
| 19 | K | 98.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 129.4 | 175.7 | -178.7 | -152 | 171.1 | -75.4 | 0 | 109.1 | F17 T23 L107 F123 P124 A125 E127 K128 A129 A130 | F17-K19 PolarHBondContact O-N 3.32Å; K19-T23 WeakPolarHBondContact CE-O 3.43Å; K19-T23 PolarHBondContact NZ-O 3.19Å; K19-L107 HydrophobicContact CD-CD2 3.53Å; K19-F123 HydrophobicContact CD-CE1 3.99Å; K19-F123 HydrophobicContact CD-CZ 4.13Å; K19-F123 HydrophobicContact CG-CE1 4.14Å; K19-F123 HydrophobicContact CG-CZ 4.18Å; K19-P124 WeakPolarHBondContact CE-O 3.41Å; K19-A125 PolarHBondContact NZ-O 3.25Å; K19-A125 VanDerWaalsContact NZ-O 3.11Å; K19-E127 PolarHBondContact NZ-O 3.49Å; K19-K128 PolarHBondContact NZ-O 3.01Å; K19-K128 VanDerWaalsContact NZ-O 3.08Å; K19-A129 WeakPolarHBondContact O-CA 3.09Å; K19-A129 WeakPolarHBondContact O-CB 3.27Å; K19-A130 HydrophobicContact CB-CB 4.39Å; K19-A130 HydrophobicContact CD-CB 4.38Å; K19-A130 PolarHBondContact N-O 3.44Å; K19-A130 PolarHBondContact O-N 2.93Å; K19-A130 VanDerWaalsContact O-N 3.08Å |
| 20 | L | 98.2 | Very high | 92.3 | Very high | 12 Ų | 12 | 23.1 Ų | 23.1 | 6% | 0.063 | 13% | 0.127 | C | C | . | . | P | Polyproline II helix | trans | -78.4 | 154.8 | 177.2 | -59.8 | 175.5 | 0 | 0 | 0 | 111.2 | Y18 T23 L25 E27 I264 I266 | Y18-L20 PolarHBondContact O-N 2.86Å; L20-T23 HydrophobicContact CB-CG2 3.43Å; L20-T23 VanDerWaalsContact CB-CG2 3.43Å; L20-L25 WeakPolarHBondContact CB-O 3.36Å; L20-L25 HydrophobicContact CD1-CB 4.07Å; L20-L25 PolarHBondContact N-O 2.96Å; L20-E27 HydrophobicContact CD2-CG 4.09Å; L20-I264 HydrophobicContact CD1-CD1 3.34Å; L20-I264 HydrophobicContact CD2-CB 4.34Å; L20-I264 HydrophobicContact CD2-CD1 3.81Å; L20-I264 HydrophobicContact CD2-CG2 4.15Å; L20-I264 HydrophobicContact CG-CD1 4.21Å; L20-I266 HydrophobicContact CD2-CD1 3.92Å |
| 21 | P | 97.7 | Very high | 93.7 | Very high | 39 Ų | 39 | 22.1 Ų | 22.1 | 25% | 0.253 | 11% | 0.114 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | 140.3 | -176.9 | 29 | -33.3 | 0 | 0 | 0 | 111.6 | T23 A129 I266 D270 | P21-T23 PolarHBondContact O-N 3.26Å; P21-A129 HydrophobicContact CB-CB 4.3Å; P21-I266 HydrophobicContact CG-CG2 4.49Å; P21-D270 HydrophobicContact CB-CB 4.22Å |
| 22 | R | 97.7 | Very high | 94.3 | Very high | 133 Ų | 133 | 21.4 Ų | 21.4 | 50% | 0.502 | 11% | 0.112 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.9 | 25.5 | 176.2 | -44.3 | -56.8 | 172.9 | -141.6 | -12.2 | 115.1 | A125 S126 E127 K128 D270 | R22-A125 CarbonylContact C-O 3.46Å; R22-A125 WeakPolarHBondContact CA-O 3.11Å; R22-S126 WeakPolarHBondContact CD-O 3.4Å; R22-S126 PolarHBondContact NH1-O 3.14Å; R22-E127 PolarHBondContact N-O 2.84Å; R22-K128 VanDerWaalsContact NH1-N 3.19Å; R22-D270 IonicContact CZ-OD1 3.31Å; R22-D270 IonicContact NH2-OD1 2.81Å; R22-D270 PolarHBondContact NH2-OD1 3.17Å |
| 23 | T | 97.4 | Very high | 94.2 | Very high | 38 Ų | 38 | 25.1 Ų | 25.1 | 23% | 0.233 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -146.7 | 162.8 | 175.4 | 176.7 | 0 | 0 | 0 | 0 | 110.8 | K19 L20 P21 L25 A125 | K19-T23 WeakPolarHBondContact CE-O 3.43Å; K19-T23 PolarHBondContact NZ-O 3.19Å; L20-T23 HydrophobicContact CB-CG2 3.43Å; L20-T23 VanDerWaalsContact CB-CG2 3.43Å; P21-T23 PolarHBondContact O-N 3.26Å; T23-L25 VanDerWaalsContact C-N 3.32Å; T23-L25 HydrophobicContact CG2-CB 3.95Å; T23-L25 WeakPolarHBondContact OG1-CG 3.36Å; T23-L25 PolarHBondContact OG1-N 3Å; T23-A125 CarbonylContact C-O 3.56Å; T23-A125 PolarHBondContact N-O 2.78Å; T23-A125 VanDerWaalsContact O-O 3.1Å |
| 24 | A | 97.6 | Very high | 94.3 | Very high | 6 Ų | 6 | 29.6 Ų | 29.6 | 5% | 0.05 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -84.1 | -8.2 | 168.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | D43 L44 S45 F123 A125 | A24-D43 WeakPolarHBondContact CB-OD1 3.39Å; A24-L44 PolarHBondContact O-N 2.77Å; A24-S45 WeakPolarHBondContact CB-OG 3.4Å; A24-F123 HydrophobicContact CB-CD1 3.88Å; A24-F123 HydrophobicContact CB-CE1 4.13Å; A24-A125 HydrophobicContact CB-CB 3.91Å |
| 25 | L | 97.9 | Very high | 94.2 | Very high | 63 Ų | 63 | 30 Ų | 30 | 33% | 0.33 | 16% | 0.161 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 141.7 | 177.7 | -63.6 | 173.7 | 0 | 0 | 0 | 112 | L20 T23 P41 I42 D43 | L20-L25 WeakPolarHBondContact CB-O 3.36Å; L20-L25 HydrophobicContact CD1-CB 4.07Å; L20-L25 PolarHBondContact N-O 2.96Å; T23-L25 VanDerWaalsContact C-N 3.32Å; T23-L25 HydrophobicContact CG2-CB 3.95Å; T23-L25 WeakPolarHBondContact OG1-CG 3.36Å; T23-L25 PolarHBondContact OG1-N 3Å; L25-P41 HydrophobicContact CB-CB 4.29Å; L25-P41 HydrophobicContact CD2-CB 4.47Å; L25-I42 CarbonylContact C-O 3.58Å; L25-I42 WeakPolarHBondContact CA-O 3.38Å; L25-D43 HydrophobicContact CD2-CB 3.95Å |
| 26 | A | 98 | Very high | 94.2 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 142.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | F17 Y18 V28 P41 I42 L44 | F17-A26 HydrophobicContact CB-CB 4.21Å; Y18-A26 VanDerWaalsContact O-CA 3.26Å; Y18-A26 WeakPolarHBondContact O-CA 3.41Å; A26-V28 HydrophobicContact CB-CG2 4.27Å; A26-P41 CarbonylContact O-C 3.49Å; A26-P41 VanDerWaalsContact O-CA 3.24Å; A26-P41 WeakPolarHBondContact O-CA 3.29Å; A26-I42 PolarHBondContact N-O 2.9Å; A26-I42 PolarHBondContact O-N 2.89Å; A26-L44 HydrophobicContact CB-CD1 3.45Å; A26-L44 VanDerWaalsContact CB-CD1 3.45Å; A26-L44 HydrophobicContact CB-CD2 4.28Å; A26-L44 HydrophobicContact CB-CG 3.72Å |
| 27 | E | 97.7 | Very high | 94.2 | Very high | 5 Ų | 5 | 35.7 Ų | 35.7 | 2% | 0.023 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 123.9 | 163.2 | -67.1 | -74.4 | -179.9 | 0 | 0 | 107.9 | Y18 L20 W37 V261 N262 I264 | Y18-E27 PolarHBondContact N-O 2.87Å; Y18-E27 PolarHBondContact O-N 2.97Å; L20-E27 HydrophobicContact CD2-CG 4.09Å; E27-W37 HydrophobicContact CB-CE3 3.71Å; E27-W37 HydrophobicContact CB-CZ3 3.67Å; E27-V261 HydrophobicContact CB-CG1 3.86Å; E27-V261 HydrophobicContact CG-CG1 4Å; E27-N262 HydrophobicContact CG-CB 4.15Å; E27-N262 PolarHBondContact OE1-ND2 3.03Å; E27-N262 WeakPolarHBondContact OE2-CB 3.15Å; E27-N262 PolarHBondContact OE2-ND2 3.31Å; E27-I264 WeakPolarHBondContact OE1-CD1 3.39Å |
| 28 | V | 95.8 | Very high | 94 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 139.8 | -167.5 | -178.4 | 0 | 0 | 0 | 0 | 111 | I16 F17 A26 M30 W37 E38 I42 | I16-V28 WeakPolarHBondContact O-CA 3.46Å; F17-V28 HydrophobicContact CD1-CB 4.3Å; F17-V28 HydrophobicContact CD1-CG1 3.68Å; F17-V28 HydrophobicContact CD1-CG2 3.77Å; F17-V28 HydrophobicContact CE1-CG1 3.73Å; A26-V28 HydrophobicContact CB-CG2 4.27Å; V28-M30 HydrophobicContact CG1-CG 4.11Å; V28-M30 HydrophobicContact CG1-SD 3.72Å; V28-W37 CarbonylContact O-C 3.54Å; V28-W37 WeakPolarHBondContact O-CA 3.33Å; V28-E38 HydrophobicContact CB-CB 4.42Å; V28-E38 HydrophobicContact CB-CG 4Å; V28-E38 HydrophobicContact CG1-CG 4.12Å; V28-E38 PolarHBondContact O-N 3.4Å; V28-I42 HydrophobicContact CB-CD1 4.24Å; V28-I42 HydrophobicContact CG1-CD1 4.4Å; V28-I42 HydrophobicContact CG2-CB 4.04Å; V28-I42 HydrophobicContact CG2-CD1 3.94Å; V28-I42 HydrophobicContact CG2-CG1 4.04Å |
| 29 | I | 94.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 126.8 | 169.2 | -56.3 | 156.5 | 0 | 0 | 0 | 107.2 | W14 G15 I16 P35 W37 L312 L315 F316 | W14-I29 HydrophobicContact CH2-CG2 4.13Å; W14-I29 HydrophobicContact CZ3-CG2 3.92Å; G15-I29 WeakPolarHBondContact CA-O 3.39Å; I16-I29 HydrophobicContact CB-CB 4.38Å; I16-I29 PolarHBondContact N-O 3.02Å; I16-I29 PolarHBondContact O-N 3.05Å; I29-P35 HydrophobicContact CG2-CB 3.61Å; I29-W37 HydrophobicContact CD1-CD2 4.22Å; I29-W37 HydrophobicContact CD1-CE3 3.79Å; I29-W37 HydrophobicContact CD1-CH2 3.6Å; I29-W37 HydrophobicContact CD1-CZ2 4.05Å; I29-W37 HydrophobicContact CD1-CZ3 3.47Å; I29-W37 VanDerWaalsContact CD1-CZ3 3.47Å; I29-W37 HydrophobicContact CG1-CD2 3.98Å; I29-W37 HydrophobicContact CG1-CE3 3.45Å; I29-W37 VanDerWaalsContact CG1-CE3 3.45Å; I29-W37 HydrophobicContact CG1-CH2 4.23Å; I29-W37 HydrophobicContact CG1-CZ3 3.61Å; I29-L312 HydrophobicContact CD1-CD1 4.01Å; I29-L312 HydrophobicContact CG2-CD1 4.26Å; I29-L315 HydrophobicContact CD1-CD2 3.43Å; I29-L315 VanDerWaalsContact CD1-CD2 3.43Å; I29-L315 HydrophobicContact CG1-CD2 3.83Å; I29-F316 HydrophobicContact CD1-CE2 3.8Å; I29-F316 HydrophobicContact CD1-CZ 4.45Å |
| 30 | M | 91.9 | Very high | 93.5 | Very high | 15 Ų | 15 | 48.5 Ų | 48.5 | 7% | 0.074 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 154 | 174.8 | -59.6 | -55.7 | -69.9 | 0 | 0 | 110.5 | C3 V12 F17 V28 N32 P52 | C3-M30 WeakPolarHBondContact O-CE 2.99Å; V12-M30 HydrophobicContact CB-CE 4.19Å; V12-M30 HydrophobicContact CG1-CB 4.37Å; V12-M30 HydrophobicContact CG1-CE 3.73Å; V12-M30 HydrophobicContact CG2-CE 4.2Å; F17-M30 HydrophobicContact CE1-SD 4.13Å; F17-M30 HydrophobicContact CZ-SD 4.35Å; V28-M30 HydrophobicContact CG1-CG 4.11Å; V28-M30 HydrophobicContact CG1-SD 3.72Å; M30-N32 PolarHBondContact O-N 3.03Å; M30-P52 HydrophobicContact CE-CB 4.37Å |
| 31 | A | 87.8 | Confident | 93.3 | Very high | 22 Ų | 22 | 50.1 Ų | 50.1 | 18% | 0.182 | 28% | 0.284 | C | S | . | . | trans | -57.2 | 126.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | V12 D13 W14 F201 | V12-A31 HydrophobicContact CG1-CB 3.51Å; D13-A31 HydrophobicContact CB-CB 4.26Å; W14-A31 HydrophobicContact CD2-CB 3.65Å; W14-A31 VanDerWaalsContact CE2-CB 3.49Å; W14-A31 HydrophobicContact CE3-CB 4.28Å; W14-A31 HydrophobicContact CG-CB 3.84Å; W14-A31 HydrophobicContact CZ2-CB 4Å; W14-A31 WeakPolarHBondContact O-CB 3.37Å; W14-A31 PolarHBondContact O-N 3.29Å; A31-F201 HydrophobicContact CB-CE2 4.12Å | ||
| 32 | N | 81.8 | Confident | 93.2 | Very high | 88 Ų | 88 | 50 Ų | 50 | 47% | 0.471 | 28% | 0.281 | S | S | . | . | trans | -151.5 | 163.7 | 171.2 | -172.6 | -33.2 | 0 | 0 | 0 | 106.4 | M30 N34 P35 F201 | M30-N32 PolarHBondContact O-N 3.03Å; N32-N34 VanDerWaalsContact C-N 3.27Å; N32-N34 PolarHBondContact OD1-N 3.2Å; N32-P35 WeakPolarHBondContact O-CD 3.41Å; N32-F201 WeakPolarHBondContact O-CZ 3.47Å | ||
| 33 | T | 77.8 | Confident | 93.2 | Very high | 102 Ų | 102 | 45.5 Ų | 45.5 | 63% | 0.626 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -57.1 | -44 | 162.7 | -50.2 | 0 | 0 | 0 | 0 | 110.8 | P35 N309 | T33-P35 WeakPolarHBondContact O-CD 2.94Å; T33-N309 PolarHBondContact O-ND2 3.48Å |
| 34 | N | 89 | Confident | 93.2 | Very high | 98 Ų | 98 | 43.7 Ų | 43.7 | 52% | 0.524 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -113.8 | 72.6 | 177.4 | -62.1 | -47.7 | 0 | 0 | 0 | 111.1 | N32 T36 | N32-N34 VanDerWaalsContact C-N 3.27Å; N32-N34 PolarHBondContact OD1-N 3.2Å; N34-T36 PolarHBondContact O-N 2.81Å |
| 35 | P | 92.2 | Very high | 93.1 | Very high | 9 Ų | 9 | 44.5 Ų | 44.5 | 6% | 0.058 | 26% | 0.261 | C | S | . | . | trans | -63.8 | 135.3 | -178.1 | 26.5 | -34.3 | 0 | 0 | 0 | 111.8 | W14 I29 N32 T33 N309 E311 L312 | W14-P35 HydrophobicContact CH2-CB 3.81Å; W14-P35 HydrophobicContact CH2-CG 4.12Å; I29-P35 HydrophobicContact CG2-CB 3.61Å; N32-P35 WeakPolarHBondContact O-CD 3.41Å; T33-P35 WeakPolarHBondContact O-CD 2.94Å; P35-N309 WeakPolarHBondContact CG-OD1 3.36Å; P35-E311 HydrophobicContact CG-CB 4.24Å; P35-L312 HydrophobicContact CG-CB 3.86Å | ||
| 36 | T | 94.9 | Very high | 93 | Very high | 94 Ų | 94 | 46.1 Ų | 46.1 | 58% | 0.577 | 27% | 0.267 | S | S | * | . | trans | -133 | 164.4 | 173.8 | -179.8 | 0 | 0 | 0 | 0 | 109.1 | N34 | N34-T36 PolarHBondContact O-N 2.81Š| ||
| 37 | W | 95.2 | Very high | 92.8 | Very high | 25 Ų | 25 | 49.2 Ų | 49.2 | 10% | 0.095 | 28% | 0.283 | C | S | . | . | B | Isolated β-bridge | trans | -58 | 137.3 | 165.2 | -57.5 | 109.4 | 0 | 0 | 0 | 110 | E27 V28 I29 V261 N262 L315 F316 V319 | E27-W37 HydrophobicContact CB-CE3 3.71Å; E27-W37 HydrophobicContact CB-CZ3 3.67Å; V28-W37 CarbonylContact O-C 3.54Å; V28-W37 WeakPolarHBondContact O-CA 3.33Å; I29-W37 HydrophobicContact CD1-CD2 4.22Å; I29-W37 HydrophobicContact CD1-CE3 3.79Å; I29-W37 HydrophobicContact CD1-CH2 3.6Å; I29-W37 HydrophobicContact CD1-CZ2 4.05Å; I29-W37 HydrophobicContact CD1-CZ3 3.47Å; I29-W37 VanDerWaalsContact CD1-CZ3 3.47Å; I29-W37 HydrophobicContact CG1-CD2 3.98Å; I29-W37 HydrophobicContact CG1-CE3 3.45Å; I29-W37 VanDerWaalsContact CG1-CE3 3.45Å; I29-W37 HydrophobicContact CG1-CH2 4.23Å; I29-W37 HydrophobicContact CG1-CZ3 3.61Å; W37-V261 HydrophobicContact CH2-CG1 3.61Å; W37-V261 HydrophobicContact CZ2-CG1 4.08Å; W37-V261 HydrophobicContact CZ3-CG1 4.03Å; W37-N262 HydrophobicContact CB-CB 4.45Å; W37-N262 HydrophobicContact CD2-CB 3.91Å; W37-N262 HydrophobicContact CG-CB 3.81Å; W37-L315 HydrophobicContact CD2-CD2 4.17Å; W37-L315 HydrophobicContact CG-CD2 4.36Å; W37-L315 HydrophobicContact CZ2-CD2 4.16Å; W37-L315 HydrophobicContact CZ2-CG 4.08Å; W37-L315 VanDerWaalsContact NE1-CD1 3.27Å; W37-F316 HydrophobicContact CH2-CZ 4.28Å; W37-V319 HydrophobicContact CZ2-CG2 3.76Å |
| 38 | E | 93.2 | Very high | 92.5 | Very high | 44 Ų | 44 | 51.5 Ų | 51.5 | 21% | 0.206 | 30% | 0.298 | C | S | . | . | trans | -57.8 | 154.4 | 166.2 | -67.6 | -68.5 | 153 | 0 | 0 | 110.2 | R7 V28 L40 | R7-E38 IonicContact CZ-OE1 2.87Å; R7-E38 IonicContact CZ-OE2 3.31Å; R7-E38 IonicContact NH1-OE1 3.68Å; R7-E38 IonicContact NH1-OE2 3.13Å; R7-E38 PolarHBondContact NH1-OE2 3.1Å; R7-E38 IonicContact NH2-OE1 3.39Å; R7-E38 PolarHBondContact NH2-OE1 2.89Å; R7-E38 IonicContact NH2-OE2 3.53Å; V28-E38 HydrophobicContact CB-CB 4.42Å; V28-E38 HydrophobicContact CB-CG 4Å; V28-E38 HydrophobicContact CG1-CG 4.12Å; V28-E38 PolarHBondContact O-N 3.4Å; E38-L40 VanDerWaalsContact C-N 3.26Å; E38-L40 PolarHBondContact O-N 3.18Å | ||
| 39 | A | 92.2 | Very high | 92.2 | Very high | 95 Ų | 95 | 56.6 Ų | 56.6 | 79% | 0.785 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -63.8 | -31.2 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 40 | L | 93.8 | Very high | 92 | Very high | 130 Ų | 130 | 61.1 Ų | 61.1 | 68% | 0.681 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -132 | 147 | 178.8 | -64.9 | 175.1 | 0 | 0 | 0 | 109.9 | E38 | E38-L40 VanDerWaalsContact C-N 3.26Å; E38-L40 PolarHBondContact O-N 3.18Å |
| 41 | P | 95.9 | Very high | 92 | Very high | 47 Ų | 47 | 60.4 Ų | 60.4 | 31% | 0.305 | 35% | 0.349 | S | S | . | . | trans | -57.3 | 145.9 | 167.1 | -22.7 | 33.5 | 0 | 0 | 0 | 111.4 | L25 A26 | L25-P41 HydrophobicContact CB-CB 4.29Å; L25-P41 HydrophobicContact CD2-CB 4.47Å; A26-P41 CarbonylContact O-C 3.49Å; A26-P41 VanDerWaalsContact O-CA 3.24Å; A26-P41 WeakPolarHBondContact O-CA 3.29Å | ||
| 42 | I | 95.7 | Very high | 92.2 | Very high | 36 Ų | 36 | 59.6 Ų | 59.6 | 19% | 0.185 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 134 | 178.8 | -57.3 | -179.7 | 0 | 0 | 0 | 109.3 | L25 A26 V28 L44 P52 | L25-I42 CarbonylContact C-O 3.58Å; L25-I42 WeakPolarHBondContact CA-O 3.38Å; A26-I42 PolarHBondContact N-O 2.9Å; A26-I42 PolarHBondContact O-N 2.89Å; V28-I42 HydrophobicContact CB-CD1 4.24Å; V28-I42 HydrophobicContact CG1-CD1 4.4Å; V28-I42 HydrophobicContact CG2-CB 4.04Å; V28-I42 HydrophobicContact CG2-CD1 3.94Å; V28-I42 HydrophobicContact CG2-CG1 4.04Å; I42-L44 PolarHBondContact O-N 2.03Å; I42-P52 HydrophobicContact CD1-CG 4.25Å |
| 43 | D | 96.7 | Very high | 92.8 | Very high | 39 Ų | 39 | 55.4 Ų | 55.4 | 21% | 0.209 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 111.1 | 170.4 | -165.5 | -45.8 | 0 | 0 | 0 | 110 | A24 L25 S45 E46 N51 | A24-D43 WeakPolarHBondContact CB-OD1 3.39Å; L25-D43 HydrophobicContact CD2-CB 3.95Å; D43-S45 PolarHBondContact O-N 2.78Å; D43-S45 WeakPolarHBondContact OD1-CA 3.49Å; D43-S45 WeakPolarHBondContact OD1-CB 3.31Å; D43-S45 PolarHBondContact OD1-N 3.38Å; D43-S45 PolarHBondContact OD1-OG 3.28Å; D43-E46 HydrophobicContact CB-CG 3.92Å; D43-N51 PolarHBondContact O-ND2 2.98Å |
| 44 | L | 96.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -5 | -177.1 | -62.9 | -177.1 | 0 | 0 | 0 | 113.8 | F17 A24 A26 I42 N51 L53 F118 F123 I132 | F17-L44 HydrophobicContact CB-CD1 3.93Å; F17-L44 HydrophobicContact CD1-CD2 4.07Å; A24-L44 PolarHBondContact O-N 2.77Å; A26-L44 HydrophobicContact CB-CD1 3.45Å; A26-L44 VanDerWaalsContact CB-CD1 3.45Å; A26-L44 HydrophobicContact CB-CD2 4.28Å; A26-L44 HydrophobicContact CB-CG 3.72Å; I42-L44 PolarHBondContact O-N 2.03Å; L44-N51 PolarHBondContact O-ND2 3.41Å; L44-L53 HydrophobicContact CB-CD2 4.26Å; L44-L53 HydrophobicContact CD1-CD2 4.11Å; L44-L53 HydrophobicContact CD2-CB 4.04Å; L44-L53 HydrophobicContact CD2-CD2 4.44Å; L44-F118 WeakPolarHBondContact O-CZ 3.49Å; L44-F123 HydrophobicContact CB-CD2 4.2Å; L44-F123 HydrophobicContact CB-CE1 4.11Å; L44-F123 HydrophobicContact CB-CE2 3.64Å; L44-F123 HydrophobicContact CB-CZ 3.6Å; L44-F123 HydrophobicContact CD1-CE2 4.08Å; L44-F123 HydrophobicContact CD1-CZ 3.77Å; L44-F123 HydrophobicContact CG-CZ 4.32Å; L44-I132 HydrophobicContact CD1-CD1 3.9Å |
| 45 | S | 96.5 | Very high | 93.7 | Very high | 22 Ų | 22 | 48.3 Ų | 48.3 | 15% | 0.154 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -21.5 | 177.2 | 73.1 | 0 | 0 | 0 | 0 | 113.4 | A24 D43 F118 P120 | A24-S45 WeakPolarHBondContact CB-OG 3.4Å; D43-S45 PolarHBondContact O-N 2.78Å; D43-S45 WeakPolarHBondContact OD1-CA 3.49Å; D43-S45 WeakPolarHBondContact OD1-CB 3.31Å; D43-S45 PolarHBondContact OD1-N 3.38Å; D43-S45 PolarHBondContact OD1-OG 3.28Å; S45-F118 WeakPolarHBondContact O-CE1 3.2Å; S45-P120 WeakPolarHBondContact O-CA 3.34Å; S45-P120 WeakPolarHBondContact O-CB 3.46Å; S45-P120 WeakPolarHBondContact O-CG 3.27Å |
| 46 | E | 94.9 | Very high | 93.8 | Very high | 98 Ų | 98 | 48 Ų | 48 | 46% | 0.458 | 27% | 0.274 | S | S | . | . | trans | -70.6 | 136.1 | -175 | -69.1 | -172.6 | 161.7 | 0 | 0 | 112.8 | D43 V48 N51 | D43-E46 HydrophobicContact CB-CG 3.92Å; E46-V48 HydrophobicContact CB-CG1 4.31Å; E46-V48 HydrophobicContact CB-CG2 3.73Å; E46-V48 PolarHBondContact O-N 3Å; E46-N51 PolarHBondContact O-ND2 3.34Å | ||
| 47 | D | 94.3 | Very high | 93.8 | Very high | 64 Ų | 64 | 43.7 Ų | 43.7 | 34% | 0.342 | 25% | 0.247 | S | C | . | . | trans | -83.2 | 61.1 | 171.6 | -171.4 | 21 | 0 | 0 | 0 | 110.9 | R54 K58 F118 P120 | D47-R54 IonicContact OD1-CZ 3.42Å; D47-R54 VanDerWaalsContact OD1-CZ 3.32Å; D47-R54 IonicContact OD1-NE 3.98Å; D47-R54 PolarHBondContact OD1-NE 3.1Å; D47-R54 IonicContact OD1-NH2 3.87Å; D47-R54 PolarHBondContact OD1-NH2 3.26Å; D47-K58 IonicContact OD1-NZ 3.32Å; D47-K58 PolarHBondContact OD1-NZ 3.05Å; D47-K58 IonicContact OD2-NZ 3.06Å; D47-K58 PolarHBondContact OD2-NZ 2.76Å; D47-F118 HydrophobicContact CB-CD1 4.12Å; D47-P120 HydrophobicContact CB-CG 4.24Å | ||
| 48 | V | 92.3 | Very high | 93.8 | Very high | 54 Ų | 54 | 44.4 Ų | 44.4 | 33% | 0.327 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -124.3 | 149.3 | 179.2 | -63.7 | 0 | 0 | 0 | 0 | 110.4 | E46 T50 N51 | E46-V48 HydrophobicContact CB-CG1 4.31Å; E46-V48 HydrophobicContact CB-CG2 3.73Å; E46-V48 PolarHBondContact O-N 3Å; V48-T50 VanDerWaalsContact CG2-OG1 3.31Å; V48-T50 WeakPolarHBondContact CG2-OG1 3.19Å; V48-T50 PolarHBondContact O-N 3.15Å; V48-N51 HydrophobicContact CG2-CB 4.12Å; V48-N51 WeakPolarHBondContact O-CB 3.45Å; V48-N51 PolarHBondContact O-N 2.83Å |
| 49 | D | 89.6 | Confident | 93.9 | Very high | 106 Ų | 106 | 45.2 Ų | 45.2 | 57% | 0.567 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -18.1 | -177 | -65.9 | -32.8 | 0 | 0 | 0 | 112.9 | N51 R54 N55 | D49-N51 PolarHBondContact O-N 2.75Å; D49-R54 IonicContact OD1-CZ 3Å; D49-R54 IonicContact OD1-NH1 3.96Å; D49-R54 PolarHBondContact OD1-NH1 3.07Å; D49-R54 IonicContact OD1-NH2 2.79Å; D49-N55 PolarHBondContact O-ND2 2.77Å |
| 50 | T | 88.9 | Confident | 94 | Very high | 96 Ų | 96 | 40.7 Ų | 40.7 | 59% | 0.589 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -6.5 | 171.4 | 52.4 | 0 | 0 | 0 | 0 | 113.4 | V48 P52 | V48-T50 VanDerWaalsContact CG2-OG1 3.31Å; V48-T50 WeakPolarHBondContact CG2-OG1 3.19Å; V48-T50 PolarHBondContact O-N 3.15Å; T50-P52 WeakPolarHBondContact O-CD 3.19Å |
| 51 | N | 92.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -90 | 102.4 | 174.4 | 177.7 | -3.3 | 0 | 0 | 0 | 110 | D43 L44 E46 V48 D49 L53 R54 N55 | D43-N51 PolarHBondContact O-ND2 2.98Å; L44-N51 PolarHBondContact O-ND2 3.41Å; E46-N51 PolarHBondContact O-ND2 3.34Å; V48-N51 HydrophobicContact CG2-CB 4.12Å; V48-N51 WeakPolarHBondContact O-CB 3.45Å; V48-N51 PolarHBondContact O-N 2.83Å; D49-N51 PolarHBondContact O-N 2.75Å; N51-L53 VanDerWaalsContact C-N 3.29Å; N51-L53 PolarHBondContact O-N 3.41Å; N51-L53 PolarHBondContact OD1-N 3.06Å; N51-R54 HydrophobicContact CB-CB 3.82Å; N51-R54 WeakPolarHBondContact ND2-CB 3.37Å; N51-R54 WeakPolarHBondContact O-CB 3.22Å; N51-R54 PolarHBondContact O-N 3.18Å; N51-R54 PolarHBondContact OD1-N 3.27Å; N51-N55 PolarHBondContact O-N 3.37Å | ||
| 52 | P | 92.1 | Very high | 94.2 | Very high | 4 Ų | 4 | 36 Ų | 36 | 3% | 0.026 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.7 | -34.3 | -178.5 | 24 | -34.7 | 0 | 0 | 0 | 113.3 | G4 D5 F17 M30 I42 T50 N55 T56 | G4-P52 WeakPolarHBondContact CA-O 3.06Å; D5-P52 HydrophobicContact CB-CB 4.5Å; F17-P52 HydrophobicContact CD1-CG 4.32Å; F17-P52 HydrophobicContact CE1-CB 4Å; F17-P52 HydrophobicContact CE1-CG 3.49Å; F17-P52 VanDerWaalsContact CE1-CG 3.49Å; F17-P52 HydrophobicContact CZ-CB 4.3Å; F17-P52 HydrophobicContact CZ-CG 4.26Å; M30-P52 HydrophobicContact CE-CB 4.37Å; I42-P52 HydrophobicContact CD1-CG 4.25Å; T50-P52 WeakPolarHBondContact O-CD 3.19Å; P52-N55 PolarHBondContact O-N 2.96Å; P52-T56 PolarHBondContact O-N 2.84Å; P52-T56 VanDerWaalsContact O-N 3.09Å; P52-T56 PolarHBondContact O-OG1 2.03Å |
| 53 | L | 93.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -70.3 | -39.4 | -179.6 | -172.9 | 61.8 | 0 | 0 | 0 | 110.8 | L44 N51 T56 L57 W110 F123 I132 | L44-L53 HydrophobicContact CB-CD2 4.26Å; L44-L53 HydrophobicContact CD1-CD2 4.11Å; L44-L53 HydrophobicContact CD2-CB 4.04Å; L44-L53 HydrophobicContact CD2-CD2 4.44Å; N51-L53 VanDerWaalsContact C-N 3.29Å; N51-L53 PolarHBondContact O-N 3.41Å; N51-L53 PolarHBondContact OD1-N 3.06Å; L53-T56 WeakPolarHBondContact O-CB 3.05Å; L53-T56 PolarHBondContact O-N 2.82Å; L53-L57 HydrophobicContact CG-CD1 4.36Å; L53-L57 WeakPolarHBondContact O-CG 3.21Å; L53-L57 PolarHBondContact O-N 3.33Å; L53-W110 HydrophobicContact CD1-CH2 4.09Å; L53-W110 HydrophobicContact CD1-CZ2 4.3Å; L53-W110 HydrophobicContact CD2-CH2 4.16Å; L53-W110 HydrophobicContact CD2-CZ2 3.76Å; L53-W110 HydrophobicContact CG-CH2 4.48Å; L53-W110 HydrophobicContact CG-CZ2 4.2Å; L53-F123 HydrophobicContact CD2-CE2 3.98Å; L53-I132 HydrophobicContact CD1-CG2 4.34Å; L53-I132 HydrophobicContact CD2-CD1 3.78Å |
| 54 | R | 93.9 | Very high | 94.2 | Very high | 36 Ų | 36 | 35.3 Ų | 35.3 | 14% | 0.136 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.6 | -45.1 | 170.3 | 174.2 | -89.7 | -176.3 | -162.7 | 6.8 | 111.7 | D47 D49 N51 T56 L57 K58 F118 | D47-R54 IonicContact OD1-CZ 3.42Å; D47-R54 VanDerWaalsContact OD1-CZ 3.32Å; D47-R54 IonicContact OD1-NE 3.98Å; D47-R54 PolarHBondContact OD1-NE 3.1Å; D47-R54 IonicContact OD1-NH2 3.87Å; D47-R54 PolarHBondContact OD1-NH2 3.26Å; D49-R54 IonicContact OD1-CZ 3Å; D49-R54 IonicContact OD1-NH1 3.96Å; D49-R54 PolarHBondContact OD1-NH1 3.07Å; D49-R54 IonicContact OD1-NH2 2.79Å; N51-R54 HydrophobicContact CB-CB 3.82Å; N51-R54 WeakPolarHBondContact ND2-CB 3.37Å; N51-R54 WeakPolarHBondContact O-CB 3.22Å; N51-R54 PolarHBondContact O-N 3.18Å; N51-R54 PolarHBondContact OD1-N 3.27Å; R54-T56 PolarHBondContact O-N 2.59Å; R54-L57 PolarHBondContact O-N 3.35Å; R54-L57 VanDerWaalsContact O-N 3.14Å; R54-K58 HydrophobicContact CG-CB 4.44Å; R54-K58 VanDerWaalsContact O-CB 3.27Å; R54-K58 WeakPolarHBondContact O-CB 3.13Å; R54-K58 PolarHBondContact O-N 3.29Å; R54-F118 HydrophobicContact CB-CD1 4.02Å; R54-F118 HydrophobicContact CB-CD2 4.11Å; R54-F118 HydrophobicContact CB-CE1 3.8Å; R54-F118 HydrophobicContact CB-CE2 3.9Å; R54-F118 HydrophobicContact CB-CG 4.17Å; R54-F118 HydrophobicContact CB-CZ 3.75Å; R54-F118 HydrophobicContact CG-CB 4.28Å; R54-F118 HydrophobicContact CG-CD1 3.52Å; R54-F118 HydrophobicContact CG-CD2 4.14Å; R54-F118 HydrophobicContact CG-CE1 3.78Å; R54-F118 HydrophobicContact CG-CE2 4.36Å; R54-F118 HydrophobicContact CG-CG 3.71Å; R54-F118 HydrophobicContact CG-CZ 4.2Å |
| 55 | N | 93.1 | Very high | 94.2 | Very high | 16 Ų | 16 | 39.2 Ų | 39.2 | 9% | 0.086 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63 | -25.8 | 178.8 | -68.7 | -15.2 | 0 | 0 | 0 | 112.9 | D5 D49 N51 P52 P59 | D5-N55 PolarHBondContact OD1-ND2 2.64Å; D49-N55 PolarHBondContact O-ND2 2.77Å; N51-N55 PolarHBondContact O-N 3.37Å; P52-N55 PolarHBondContact O-N 2.96Å; N55-P59 WeakPolarHBondContact O-CD 3.34Å; N55-P59 WeakPolarHBondContact O-CG 3.41Å |
| 56 | T | 93.9 | Very high | 94.2 | Very high | 3 Ų | 3 | 42.2 Ų | 42.2 | 2% | 0.018 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -74.7 | -52.2 | 171.4 | -53.7 | 0 | 0 | 0 | 0 | 111 | V2 G4 P52 L53 R54 I60 V101 V103 | V2-T56 WeakPolarHBondContact O-CB 3.5Å; V2-T56 WeakPolarHBondContact O-CG2 3.38Å; V2-T56 PolarHBondContact O-OG1 2.86Å; V2-T56 VanDerWaalsContact O-OG1 3.07Å; G4-T56 PolarHBondContact N-OG1 2.98Å; G4-T56 VanDerWaalsContact N-OG1 3.1Å; P52-T56 PolarHBondContact O-N 2.84Å; P52-T56 VanDerWaalsContact O-N 3.09Å; P52-T56 PolarHBondContact O-OG1 2.03Å; L53-T56 WeakPolarHBondContact O-CB 3.05Å; L53-T56 PolarHBondContact O-N 2.82Å; R54-T56 PolarHBondContact O-N 2.59Å; T56-I60 HydrophobicContact CG2-CD1 4.36Å; T56-I60 WeakPolarHBondContact O-CD1 3.37Å; T56-I60 WeakPolarHBondContact O-CG1 3.33Å; T56-V101 HydrophobicContact CG2-CG2 3.72Å; T56-V103 HydrophobicContact CG2-CG2 4.19Å |
| 57 | L | 95.4 | Very high | 94.3 | Very high | 3 Ų | 3 | 38.1 Ų | 38.1 | 2% | 0.016 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -78.5 | -41.8 | -169.8 | -70.4 | -173.4 | 0 | 0 | 0 | 114.4 | L53 R54 I60 L61 M92 W110 F118 | L53-L57 HydrophobicContact CG-CD1 4.36Å; L53-L57 WeakPolarHBondContact O-CG 3.21Å; L53-L57 PolarHBondContact O-N 3.33Å; R54-L57 PolarHBondContact O-N 3.35Å; R54-L57 VanDerWaalsContact O-N 3.14Å; L57-I60 WeakPolarHBondContact O-CA 3.42Å; L57-I60 WeakPolarHBondContact O-CB 3.36Å; L57-I60 PolarHBondContact O-N 2.88Å; L57-L61 HydrophobicContact CB-CD1 4.23Å; L57-L61 WeakPolarHBondContact O-CG 3.33Å; L57-L61 PolarHBondContact O-N 3.43Å; L57-M92 HydrophobicContact CD2-CE 3.3Å; L57-M92 HydrophobicContact CD2-SD 4.38Å; L57-W110 HydrophobicContact CD1-CH2 4.07Å; L57-W110 HydrophobicContact CD1-CZ2 3.34Å; L57-W110 HydrophobicContact CG-CZ2 4.39Å; L57-F118 HydrophobicContact CB-CD2 3.95Å; L57-F118 HydrophobicContact CB-CE2 4.48Å; L57-F118 HydrophobicContact CD1-CD2 4.13Å; L57-F118 HydrophobicContact CD1-CE2 4.02Å |
| 58 | K | 95 | Very high | 94.5 | Very high | 39 Ų | 39 | 35 Ų | 35 | 17% | 0.17 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -55.7 | -51.5 | -174.5 | 175.9 | 135.6 | 170.9 | 158.2 | 0 | 112 | D47 R54 I60 L61 S62 D117 F118 | D47-K58 IonicContact OD1-NZ 3.32Å; D47-K58 PolarHBondContact OD1-NZ 3.05Å; D47-K58 IonicContact OD2-NZ 3.06Å; D47-K58 PolarHBondContact OD2-NZ 2.76Å; R54-K58 HydrophobicContact CG-CB 4.44Å; R54-K58 VanDerWaalsContact O-CB 3.27Å; R54-K58 WeakPolarHBondContact O-CB 3.13Å; R54-K58 PolarHBondContact O-N 3.29Å; K58-I60 PolarHBondContact O-N 2.79Å; K58-I60 VanDerWaalsContact O-N 3.14Å; K58-L61 PolarHBondContact O-N 3.05Å; K58-S62 WeakPolarHBondContact O-CB 3.39Å; K58-S62 PolarHBondContact O-N 2.87Å; K58-S62 PolarHBondContact O-OG 3.17Å; K58-D117 WeakPolarHBondContact CD-OD1 3.37Å; K58-D117 WeakPolarHBondContact CE-OD1 3.49Å; K58-D117 WeakPolarHBondContact CE-OD2 3.44Å; K58-D117 VanDerWaalsContact CG-OD1 3.29Å; K58-D117 WeakPolarHBondContact CG-OD1 3.17Å; K58-D117 IonicContact NZ-OD1 2.87Å; K58-D117 PolarHBondContact NZ-OD1 3.39Å; K58-D117 IonicContact NZ-OD2 2.85Å; K58-D117 PolarHBondContact NZ-OD2 2.85Å; K58-F118 HydrophobicContact CB-CB 3.87Å; K58-F118 HydrophobicContact CD-CB 3.97Å; K58-F118 HydrophobicContact CG-CB 4.41Å |
| 59 | P | 93.9 | Very high | 94.7 | Very high | 62 Ų | 62 | 32.5 Ų | 32.5 | 40% | 0.403 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -61.3 | -26.6 | 176.4 | -23.2 | 35 | 0 | 0 | 0 | 114.3 | N55 K67 | N55-P59 WeakPolarHBondContact O-CD 3.34Å; N55-P59 WeakPolarHBondContact O-CG 3.41Å; P59-K67 VanDerWaalsContact O-CE 3.28Å; P59-K67 WeakPolarHBondContact O-CE 2.95Å; P59-K67 PolarHBondContact O-NZ 2.88Å |
| 60 | I | 95.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -74.2 | -49.9 | 176.2 | -61.1 | 165 | 0 | 0 | 0 | 109.9 | T56 L57 K58 A63 K64 K67 I69 M92 A94 V101 | T56-I60 HydrophobicContact CG2-CD1 4.36Å; T56-I60 WeakPolarHBondContact O-CD1 3.37Å; T56-I60 WeakPolarHBondContact O-CG1 3.33Å; L57-I60 WeakPolarHBondContact O-CA 3.42Å; L57-I60 WeakPolarHBondContact O-CB 3.36Å; L57-I60 PolarHBondContact O-N 2.88Å; K58-I60 PolarHBondContact O-N 2.79Å; K58-I60 VanDerWaalsContact O-N 3.14Å; I60-A63 PolarHBondContact O-N 3.01Å; I60-K64 WeakPolarHBondContact O-CG 3.4Å; I60-K64 PolarHBondContact O-N 3.01Å; I60-K67 HydrophobicContact CB-CD 4.24Å; I60-K67 HydrophobicContact CG1-CD 4.19Å; I60-K67 HydrophobicContact CG2-CD 4.25Å; I60-I69 HydrophobicContact CG2-CD1 3.8Å; I60-I69 HydrophobicContact CG2-CG1 4.17Å; I60-M92 HydrophobicContact CD1-CE 3.53Å; I60-M92 HydrophobicContact CG2-CE 4.24Å; I60-M92 HydrophobicContact CG2-SD 4.24Å; I60-A94 HydrophobicContact CB-CB 4.45Å; I60-A94 HydrophobicContact CD1-CB 3.68Å; I60-A94 HydrophobicContact CG1-CB 3.81Å; I60-A94 HydrophobicContact CG2-CB 3.76Å; I60-V101 HydrophobicContact CD1-CG1 3.65Å |
| 61 | L | 96.6 | Very high | 95.6 | Very high | 10 Ų | 10 | 22.9 Ų | 22.9 | 5% | 0.052 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -67.1 | -39.8 | -176.4 | -66 | 171.4 | 0 | 0 | 0 | 112.4 | L57 K58 A63 K64 M113 S116 D117 | L57-L61 HydrophobicContact CB-CD1 4.23Å; L57-L61 WeakPolarHBondContact O-CG 3.33Å; L57-L61 PolarHBondContact O-N 3.43Å; K58-L61 PolarHBondContact O-N 3.05Å; L61-A63 VanDerWaalsContact C-N 3.33Å; L61-A63 PolarHBondContact O-N 3.26Å; L61-K64 WeakPolarHBondContact O-CG 3.36Å; L61-K64 PolarHBondContact O-NZ 3.3Å; L61-M113 HydrophobicContact CD2-CE 4.14Å; L61-M113 HydrophobicContact CD2-SD 4.1Å; L61-S116 CarbonylContact C-O 3.47Å; L61-D117 WeakPolarHBondContact CD1-O 3.43Å |
| 62 | S | 96.4 | Very high | 95.9 | Very high | 69 Ų | 69 | 22.9 Ų | 22.9 | 48% | 0.483 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -16.2 | -178.3 | -46.5 | 0 | 0 | 0 | 0 | 114.4 | K58 S116 D117 | K58-S62 WeakPolarHBondContact O-CB 3.39Å; K58-S62 PolarHBondContact O-N 2.87Å; K58-S62 PolarHBondContact O-OG 3.17Å; S62-S116 VanDerWaalsContact CA-O 3.26Å; S62-S116 WeakPolarHBondContact CA-O 3.44Å; S62-S116 PolarHBondContact N-O 2.92Å; S62-D117 PolarHBondContact OG-OD1 3.16Å |
| 63 | A | 95.8 | Very high | 96.2 | Very high | 29 Ų | 29 | 22.9 Ų | 22.9 | 24% | 0.24 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -138.5 | 47 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | I60 L61 D65 N66 | I60-A63 PolarHBondContact O-N 3.01Å; L61-A63 VanDerWaalsContact C-N 3.33Å; L61-A63 PolarHBondContact O-N 3.26Å; A63-D65 VanDerWaalsContact C-N 3.25Å; A63-D65 PolarHBondContact O-N 3.21Å; A63-N66 PolarHBondContact O-N 3.5Å; A63-N66 VanDerWaalsContact O-N 3.13Å |
| 64 | K | 96.9 | Very high | 96.4 | Very high | 30 Ų | 30 | 23.1 Ų | 23.1 | 13% | 0.13 | 13% | 0.131 | C | C | . | . | G | 310 helix | trans | -61.7 | -30.9 | -179.9 | -58.7 | -169.6 | -169.3 | 72.3 | 0 | 113.5 | I60 L61 N66 K67 I69 M113 A115 F158 K160 | I60-K64 WeakPolarHBondContact O-CG 3.4Å; I60-K64 PolarHBondContact O-N 3.01Å; L61-K64 WeakPolarHBondContact O-CG 3.36Å; L61-K64 PolarHBondContact O-NZ 3.3Å; K64-N66 PolarHBondContact O-N 3.38Å; K64-K67 PolarHBondContact O-N 2.96Å; K64-K67 VanDerWaalsContact O-N 3.16Å; K64-K67 VanDerWaalsContact O-O 3.08Å; K64-I69 HydrophobicContact CB-CD1 3.79Å; K64-I69 HydrophobicContact CD-CD1 4.27Å; K64-I69 HydrophobicContact CG-CD1 3.72Å; K64-M113 HydrophobicContact CD-CE 4.34Å; K64-M113 WeakPolarHBondContact CE-O 3.4Å; K64-A115 PolarHBondContact NZ-O 3.03Å; K64-F158 HydrophobicContact CD-CE1 4.34Å; K64-F158 HydrophobicContact CD-CZ 3.82Å; K64-K160 VanDerWaalsContact C-CE 3.48Å; K64-K160 HydrophobicContact CB-CD 4.01Å; K64-K160 VanDerWaalsContact O-CE 3.27Å; K64-K160 WeakPolarHBondContact O-CE 3.24Å |
| 65 | D | 96.7 | Very high | 96.6 | Very high | 83 Ų | 83 | 22.5 Ų | 22.5 | 44% | 0.444 | 13% | 0.129 | S | C | . | . | G | 310 helix | trans | -63.6 | -20.5 | 176.8 | -73.2 | -37.4 | 0 | 0 | 0 | 113.6 | A63 K160 N163 | A63-D65 VanDerWaalsContact C-N 3.25Å; A63-D65 PolarHBondContact O-N 3.21Å; D65-K160 VanDerWaalsContact CA-CE 3.46Å; D65-K160 WeakPolarHBondContact OD1-CE 3.5Å; D65-K160 IonicContact OD1-NZ 2.67Å; D65-K160 PolarHBondContact OD1-NZ 3.4Å; D65-N163 WeakPolarHBondContact O-CB 3.29Å; D65-N163 PolarHBondContact O-N 3.07Å |
| 66 | N | 96.7 | Very high | 96.8 | Very high | 85 Ų | 85 | 22.5 Ų | 22.5 | 46% | 0.455 | 13% | 0.132 | S | C | . | . | G | 310 helix | trans | -99 | -0.2 | 179.3 | -61.2 | -27.4 | 0 | 0 | 0 | 112.6 | A63 K64 E96 A162 | A63-N66 PolarHBondContact O-N 3.5Å; A63-N66 VanDerWaalsContact O-N 3.13Å; K64-N66 PolarHBondContact O-N 3.38Å; N66-E96 WeakPolarHBondContact O-CG 3.35Å; N66-A162 VanDerWaalsContact C-CB 3.44Å; N66-A162 WeakPolarHBondContact O-CB 3.43Å |
| 67 | K | 96.8 | Very high | 96.9 | Very high | 11 Ų | 11 | 24.1 Ų | 24.1 | 5% | 0.048 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -128.1 | 140.1 | -169.4 | -68.5 | 178.7 | 176.3 | 70.4 | 0 | 112.4 | M1 P59 I60 K64 I69 E96 A162 | M1-K67 HydrophobicContact SD-CD 4.19Å; P59-K67 VanDerWaalsContact O-CE 3.28Å; P59-K67 WeakPolarHBondContact O-CE 2.95Å; P59-K67 PolarHBondContact O-NZ 2.88Å; I60-K67 HydrophobicContact CB-CD 4.24Å; I60-K67 HydrophobicContact CG1-CD 4.19Å; I60-K67 HydrophobicContact CG2-CD 4.25Å; K64-K67 PolarHBondContact O-N 2.96Å; K64-K67 VanDerWaalsContact O-N 3.16Å; K64-K67 VanDerWaalsContact O-O 3.08Å; K67-I69 HydrophobicContact CB-CD1 3.93Å; K67-I69 HydrophobicContact CB-CG1 3.79Å; K67-E96 WeakPolarHBondContact CE-OE1 3.34Å; K67-E96 HydrophobicContact CG-CG 3.84Å; K67-E96 WeakPolarHBondContact CG-OE1 3.39Å; K67-E96 IonicContact NZ-OE1 2.93Å; K67-E96 PolarHBondContact NZ-OE1 2.85Å; K67-A162 PolarHBondContact O-N 3.21Å |
| 68 | N | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 115.4 | 165.2 | -62.9 | -64.6 | 0 | 0 | 0 | 107.7 | A94 W95 K160 D161 A162 S165 L167 L168 | N68-A94 CarbonylContact O-C 3.44Å; N68-A94 VanDerWaalsContact O-CA 3.23Å; N68-A94 WeakPolarHBondContact O-CA 3.21Å; N68-W95 HydrophobicContact CB-CD2 3.73Å; N68-W95 HydrophobicContact CB-CE3 4.08Å; N68-W95 HydrophobicContact CB-CG 4.25Å; N68-W95 HydrophobicContact CB-CH2 4.47Å; N68-W95 HydrophobicContact CB-CZ2 4.08Å; N68-W95 HydrophobicContact CB-CZ3 4.43Å; N68-W95 WeakPolarHBondContact CB-O 3.23Å; N68-W95 PolarHBondContact N-O 2.78Å; N68-W95 PolarHBondContact O-N 2.75Å; N68-K160 CarbonylContact C-O 3.49Å; N68-K160 WeakPolarHBondContact CA-O 3.47Å; N68-D161 PolarHBondContact OD1-OD1 3.12Å; N68-A162 PolarHBondContact OD1-N 3.43Å; N68-S165 PolarHBondContact ND2-O 3.24Å; N68-S165 PolarHBondContact OD1-O 3.27Å; N68-L167 PolarHBondContact OD1-N 3.46Å; N68-L168 HydrophobicContact CB-CD2 4.12Å; N68-L168 HydrophobicContact CB-CG 3.99Å |
| 69 | I | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 135.1 | -173.6 | -58.3 | 166 | 0 | 0 | 0 | 110.1 | I60 K64 K67 M92 L93 A94 M113 F158 W159 K160 L168 | I60-I69 HydrophobicContact CG2-CD1 3.8Å; I60-I69 HydrophobicContact CG2-CG1 4.17Å; K64-I69 HydrophobicContact CB-CD1 3.79Å; K64-I69 HydrophobicContact CD-CD1 4.27Å; K64-I69 HydrophobicContact CG-CD1 3.72Å; K67-I69 HydrophobicContact CB-CD1 3.93Å; K67-I69 HydrophobicContact CB-CG1 3.79Å; I69-M92 HydrophobicContact CG2-CG 4.28Å; I69-M92 HydrophobicContact CG2-SD 4.49Å; I69-L93 VanDerWaalsContact CA-O 3.29Å; I69-L93 WeakPolarHBondContact CA-O 3.04Å; I69-A94 HydrophobicContact CG1-CB 4.16Å; I69-M113 HydrophobicContact CD1-CE 4.48Å; I69-M113 HydrophobicContact CG2-CE 3.66Å; I69-F158 HydrophobicContact CB-CE1 4.11Å; I69-F158 HydrophobicContact CG2-CD1 3.96Å; I69-F158 HydrophobicContact CG2-CE1 3.83Å; I69-W159 CarbonylContact O-C 3.59Å; I69-W159 WeakPolarHBondContact O-CA 3.49Å; I69-K160 PolarHBondContact N-O 2.73Å; I69-K160 PolarHBondContact O-N 3.06Å; I69-L168 VanDerWaalsContact O-CD1 3.32Å; I69-L168 WeakPolarHBondContact O-CD1 3.45Å |
| 70 | I | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 129.1 | 163.7 | -62.8 | 174.5 | 0 | 0 | 0 | 107.2 | Y72 M92 L93 V156 W159 L168 F174 L177 I178 | I70-Y72 HydrophobicContact CG2-CD1 4.18Å; I70-M92 CarbonylContact O-C 3.51Å; I70-M92 VanDerWaalsContact O-CA 3.25Å; I70-M92 WeakPolarHBondContact O-CA 3.18Å; I70-L93 PolarHBondContact N-O 3.27Å; I70-L93 PolarHBondContact O-N 3.24Å; I70-V156 HydrophobicContact CG2-CG1 4.01Å; I70-V156 HydrophobicContact CG2-CG2 3.97Å; I70-W159 HydrophobicContact CG1-CB 4.28Å; I70-L168 HydrophobicContact CD1-CD2 3.75Å; I70-L168 HydrophobicContact CG1-CD1 3.93Å; I70-L168 HydrophobicContact CG1-CD2 3.83Å; I70-F174 HydrophobicContact CD1-CD1 3.55Å; I70-F174 HydrophobicContact CD1-CE1 4.17Å; I70-F174 HydrophobicContact CD1-CG 4.37Å; I70-L177 HydrophobicContact CD1-CD2 4.07Å; I70-I178 HydrophobicContact CD1-CD1 4.02Å; I70-I178 HydrophobicContact CD1-CG1 3.91Å; I70-I178 HydrophobicContact CG1-CD1 4.26Å; I70-I178 HydrophobicContact CG1-CG1 4.24Å |
| 71 | A | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 137.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | G91 M92 M113 Y157 F158 | A71-G91 WeakPolarHBondContact CA-O 2.99Å; A71-M92 HydrophobicContact CB-CB 4.28Å; A71-M92 HydrophobicContact CB-CG 4.13Å; A71-M113 HydrophobicContact CB-CG 3.71Å; A71-M113 HydrophobicContact CB-SD 4.18Å; A71-Y157 VanDerWaalsContact C-CE1 3.43Å; A71-Y157 HydrophobicContact CB-CD1 4.42Å; A71-Y157 HydrophobicContact CB-CE1 3.62Å; A71-Y157 HydrophobicContact CB-CE2 4.05Å; A71-Y157 WeakPolarHBondContact CB-OH 3.32Å; A71-Y157 WeakPolarHBondContact O-CD1 3.49Å; A71-Y157 PolarHBondContact O-N 3.38Å; A71-F158 HydrophobicContact CB-CB 4.21Å; A71-F158 PolarHBondContact N-O 2.85Å; A71-F158 PolarHBondContact O-N 2.72Å |
| 72 | Y | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 140.7 | -172.7 | 57.6 | -91.8 | 0 | 0 | 0 | 111.7 | I70 K90 G91 W102 L149 P154 M155 | I70-Y72 HydrophobicContact CG2-CD1 4.18Å; Y72-K90 CarbonylContact O-C 3.55Å; Y72-K90 VanDerWaalsContact O-CA 3.26Å; Y72-K90 WeakPolarHBondContact O-CA 3.5Å; Y72-G91 WeakPolarHBondContact CD1-O 3.43Å; Y72-G91 VanDerWaalsContact CE2-N 3.29Å; Y72-G91 PolarHBondContact N-O 2.81Å; Y72-G91 PolarHBondContact O-N 3.02Å; Y72-W102 PolarHBondContact OH-NE1 2.86Å; Y72-L149 HydrophobicContact CE1-CD1 4.29Å; Y72-P154 HydrophobicContact CD2-CB 3.42Å; Y72-P154 VanDerWaalsContact CD2-CB 3.42Å; Y72-P154 HydrophobicContact CD2-CG 4.25Å; Y72-P154 HydrophobicContact CE2-CB 4.11Å; Y72-P154 HydrophobicContact CG-CB 3.71Å; Y72-P154 HydrophobicContact CG-CG 4.22Å; Y72-M155 CarbonylContact C-O 3.19Å; Y72-M155 WeakPolarHBondContact CA-O 3.33Å; Y72-M155 WeakPolarHBondContact CB-O 3.36Å |
| 73 | S | 98.4 | Very high | 96.7 | Very high | 5 Ų | 5 | 37.2 Ų | 37.2 | 4% | 0.035 | 24% | 0.237 | C | C | . | . | trans | -172.5 | 135.5 | 179 | 179.7 | 0 | 0 | 0 | 0 | 109.9 | H75 A76 K90 M155 | S73-H75 PolarHBondContact O-N 2.89Å; S73-H75 PolarHBondContact OG-N 2.79Å; S73-H75 PolarHBondContact OG-O 2.76Å; S73-H75 VanDerWaalsContact OG-O 3.13Å; S73-A76 PolarHBondContact OG-N 2.99Å; S73-K90 WeakPolarHBondContact OG-CG 3.22Å; S73-M155 PolarHBondContact N-O 3.27Å | ||
| 74 | N | 97.7 | Very high | 96.4 | Very high | 5 Ų | 5 | 42 Ų | 42 | 3% | 0.027 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | 0.5 | 166.3 | 68.9 | -31.3 | 0 | 0 | 0 | 113.3 | E82 L83 E86 S87 K90 M155 | N74-E82 VanDerWaalsContact ND2-CG 3.34Å; N74-E82 WeakPolarHBondContact ND2-CG 3.3Å; N74-E82 PolarHBondContact ND2-OE1 3Å; N74-E82 PolarHBondContact OD1-OE1 2.82Å; N74-L83 HydrophobicContact CB-CB 4.29Å; N74-L83 PolarHBondContact ND2-O 2.9Å; N74-L83 PolarHBondContact O-N 2.92Å; N74-E86 HydrophobicContact CB-CB 4.28Å; N74-S87 VanDerWaalsContact CB-O 3.26Å; N74-S87 WeakPolarHBondContact CB-O 3.09Å; N74-K90 VanDerWaalsContact OD1-CE 3.24Å; N74-K90 WeakPolarHBondContact OD1-CE 3.39Å; N74-K90 PolarHBondContact OD1-NZ 2.87Å; N74-M155 HydrophobicContact CB-CG 4.45Å |
| 75 | H | 97.6 | Very high | 96 | Very high | 22 Ų | 22 | 48.4 Ų | 48.4 | 10% | 0.102 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -137.3 | 59.6 | 173.8 | -161 | 168.8 | 0 | 0 | 0 | 108.1 | S73 E82 P108 K109 | S73-H75 PolarHBondContact O-N 2.89Å; S73-H75 PolarHBondContact OG-N 2.79Å; S73-H75 PolarHBondContact OG-O 2.76Å; S73-H75 VanDerWaalsContact OG-O 3.13Å; H75-E82 HydrophobicContact CB-CB 4.11Å; H75-E82 HydrophobicContact CB-CG 4.01Å; H75-E82 IonicContact ND1-OE2 3.55Å; H75-P108 HydrophobicContact CB-CB 4.45Å; H75-P108 VanDerWaalsContact ND1-CB 3.28Å; H75-P108 WeakPolarHBondContact ND1-CB 3.4Å; H75-K109 WeakPolarHBondContact NE2-CE 3.36Å; H75-K109 VanDerWaalsContact O-CA 3.28Å; H75-K109 WeakPolarHBondContact O-CA 3.38Å; H75-K109 PolarHBondContact O-N 2.8Å |
| 76 | A | 97.3 | Very high | 95.9 | Very high | 17 Ų | 17 | 47.5 Ų | 47.5 | 14% | 0.14 | 28% | 0.28 | C | S | . | . | trans | -64.8 | 159.8 | -176 | 0 | 0 | 0 | 0 | 0 | 112.4 | S73 G78 A79 Y157 | S73-A76 PolarHBondContact OG-N 2.99Å; A76-G78 PolarHBondContact O-N 2.88Å; A76-A79 WeakPolarHBondContact O-CB 3.25Å; A76-A79 PolarHBondContact O-N 2.79Å; A76-A79 VanDerWaalsContact O-N 3.09Å; A76-Y157 HydrophobicContact CB-CD1 3.82Å; A76-Y157 HydrophobicContact CB-CD2 4.16Å; A76-Y157 HydrophobicContact CB-CE1 4.45Å; A76-Y157 HydrophobicContact CB-CG 3.65Å | ||
| 77 | P | 95.9 | Very high | 95.9 | Very high | 36 Ų | 36 | 43.5 Ų | 43.5 | 23% | 0.234 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | 136.9 | 171.8 | -20.1 | 26.5 | 0 | 0 | 0 | 111.9 | A79 P111 N112 Y157 | P77-A79 VanDerWaalsContact C-N 3.26Å; P77-A79 PolarHBondContact O-N 2.85Å; P77-P111 WeakPolarHBondContact CG-O 3.44Å; P77-N112 HydrophobicContact CB-CB 4.46Å; P77-N112 HydrophobicContact CG-CB 4.48Å; P77-Y157 HydrophobicContact CG-CE2 4.19Å |
| 78 | G | 93.2 | Very high | 95.8 | Very high | 82 Ų | 82 | 43.5 Ų | 43.5 | 85% | 0.845 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.8 | -12.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | A76 | A76-G78 PolarHBondContact O-N 2.88Š|
| 79 | A | 94.8 | Very high | 95.8 | Very high | 30 Ų | 30 | 43.6 Ų | 43.6 | 25% | 0.248 | 26% | 0.26 | C | S | . | . | trans | -67.1 | 140.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | A76 P77 K109 | A76-A79 WeakPolarHBondContact O-CB 3.25Å; A76-A79 PolarHBondContact O-N 2.79Å; A76-A79 VanDerWaalsContact O-N 3.09Å; P77-A79 VanDerWaalsContact C-N 3.26Å; P77-A79 PolarHBondContact O-N 2.85Å; A79-K109 WeakPolarHBondContact O-CE 3.46Å; A79-K109 PolarHBondContact O-NZ 3.25Å | ||
| 80 | S | 93.4 | Very high | 95.8 | Very high | 104 Ų | 104 | 44 Ų | 44 | 73% | 0.727 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -76.4 | -37.1 | 175.9 | 53.7 | 0 | 0 | 0 | 0 | 112.1 | ||
| 81 | T | 95.8 | Very high | 95.8 | Very high | 90 Ų | 90 | 44 Ų | 44 | 55% | 0.552 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -139.1 | 157 | -176.5 | 59.3 | 0 | 0 | 0 | 0 | 111.8 | ||
| 82 | E | 95.6 | Very high | 95.8 | Very high | 64 Ų | 64 | 44 Ų | 44 | 30% | 0.299 | 26% | 0.262 | S | S | . | . | trans | -71.9 | 140 | 169.2 | -173.3 | 159.9 | -166.5 | 0 | 0 | 111.1 | N74 H75 D84 K90 | N74-E82 VanDerWaalsContact ND2-CG 3.34Å; N74-E82 WeakPolarHBondContact ND2-CG 3.3Å; N74-E82 PolarHBondContact ND2-OE1 3Å; N74-E82 PolarHBondContact OD1-OE1 2.82Å; H75-E82 HydrophobicContact CB-CB 4.11Å; H75-E82 HydrophobicContact CB-CG 4.01Å; H75-E82 IonicContact ND1-OE2 3.55Å; E82-D84 WeakPolarHBondContact CG-OD1 3.17Å; E82-D84 PolarHBondContact O-N 2.8Å; E82-K90 IonicContact OE1-NZ 3.66Å; E82-K90 PolarHBondContact OE1-NZ 3.42Å | ||
| 83 | L | 95.5 | Very high | 95.8 | Very high | 88 Ų | 88 | 44 Ų | 44 | 46% | 0.461 | 26% | 0.262 | S | S | . | . | trans | -86.6 | 82.4 | 172.9 | -57.9 | 177.7 | 0 | 0 | 0 | 109.8 | N74 K85 E86 | N74-L83 HydrophobicContact CB-CB 4.29Å; N74-L83 PolarHBondContact ND2-O 2.9Å; N74-L83 PolarHBondContact O-N 2.92Å; L83-K85 PolarHBondContact O-N 2.6Å; L83-K85 VanDerWaalsContact O-N 3.12Å; L83-E86 HydrophobicContact CB-CB 4.15Å; L83-E86 HydrophobicContact CB-CG 3.9Å; L83-E86 HydrophobicContact CD1-CG 4.38Å; L83-E86 PolarHBondContact O-N 2.87Å | ||
| 84 | D | 89.5 | Confident | 95.7 | Very high | 129 Ų | 129 | 43.7 Ų | 43.7 | 69% | 0.69 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -16.4 | -172.2 | -69.3 | -20.4 | 0 | 0 | 0 | 115.3 | E82 | E82-D84 WeakPolarHBondContact CG-OD1 3.17Å; E82-D84 PolarHBondContact O-N 2.8Å |
| 85 | K | 89.8 | Confident | 95.7 | Very high | 165 Ų | 165 | 43.8 Ų | 43.8 | 72% | 0.717 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -12.8 | 176.4 | -64.6 | -174.9 | -177.3 | 175.6 | 0 | 113.1 | L83 | L83-K85 PolarHBondContact O-N 2.6Å; L83-K85 VanDerWaalsContact O-N 3.12Å |
| 86 | E | 94 | Very high | 95.5 | Very high | 64 Ų | 64 | 46.1 Ų | 46.1 | 30% | 0.299 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -92.8 | 174.2 | 178.8 | -60.9 | -53.1 | 143.6 | 0 | 0 | 111.3 | N74 L83 M155 | N74-E86 HydrophobicContact CB-CB 4.28Å; L83-E86 HydrophobicContact CB-CB 4.15Å; L83-E86 HydrophobicContact CB-CG 3.9Å; L83-E86 HydrophobicContact CD1-CG 4.38Å; L83-E86 PolarHBondContact O-N 2.87Å; E86-M155 HydrophobicContact CB-CG 3.95Å; E86-M155 HydrophobicContact CB-SD 4.36Å; E86-M155 HydrophobicContact CG-CG 4.31Å; E86-M155 HydrophobicContact CG-SD 4.17Å |
| 87 | S | 95.9 | Very high | 95.1 | Very high | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.014 | 29% | 0.289 | C | S | . | . | trans | -55.8 | 125.7 | 176.5 | -177.2 | 0 | 0 | 0 | 0 | 111.2 | N74 S89 Q152 E153 S301 | N74-S87 VanDerWaalsContact CB-O 3.26Å; N74-S87 WeakPolarHBondContact CB-O 3.09Å; S87-S89 PolarHBondContact O-N 3.35Å; S87-S89 VanDerWaalsContact O-N 3.09Å; S87-S89 WeakPolarHBondContact OG-CB 3.03Å; S87-S89 PolarHBondContact OG-N 2.77Å; S87-S89 PolarHBondContact OG-OG 2.95Å; S87-Q152 VanDerWaalsContact CB-O 3.27Å; S87-Q152 WeakPolarHBondContact CB-O 3.04Å; S87-Q152 PolarHBondContact OG-O 3.11Å; S87-E153 WeakPolarHBondContact CB-O 3.43Å; S87-S301 WeakPolarHBondContact CB-OG 3.18Å; S87-S301 PolarHBondContact OG-OG 3.4Å | ||
| 88 | P | 96.5 | Very high | 94.9 | Very high | 11 Ų | 11 | 50.9 Ų | 50.9 | 7% | 0.071 | 30% | 0.297 | C | S | . | . | trans | -72.9 | 2.9 | 175.6 | 31.4 | -35.4 | 0 | 0 | 0 | 113.1 | K90 N290 S301 | P88-K90 PolarHBondContact O-N 2.8Å; P88-N290 HydrophobicContact CB-CB 4.31Å; P88-N290 WeakPolarHBondContact CB-O 3.34Å; P88-N290 HydrophobicContact CG-CB 4.06Å; P88-N290 WeakPolarHBondContact CG-O 3.11Å; P88-S301 WeakPolarHBondContact CD-O 3.27Å | ||
| 89 | S | 97.6 | Very high | 95 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.007 | 27% | 0.267 | C | S | . | . | trans | -62.8 | 128.4 | -180 | -53.8 | 0 | 0 | 0 | 0 | 111.1 | S87 N290 | S87-S89 PolarHBondContact O-N 3.35Å; S87-S89 VanDerWaalsContact O-N 3.09Å; S87-S89 WeakPolarHBondContact OG-CB 3.03Å; S87-S89 PolarHBondContact OG-N 2.77Å; S87-S89 PolarHBondContact OG-OG 2.95Å; S89-N290 PolarHBondContact OG-ND2 3.14Å | ||
| 90 | K | 98.5 | Very high | 95 | Very high | 8 Ų | 8 | 47.5 Ų | 47.5 | 4% | 0.035 | 26% | 0.255 | C | S | . | . | trans | -134 | 138.5 | 174.3 | -46.6 | 179.3 | 171.3 | 55.6 | 0 | 110.5 | Y72 S73 N74 E82 P88 H105 L107 | Y72-K90 CarbonylContact O-C 3.55Å; Y72-K90 VanDerWaalsContact O-CA 3.26Å; Y72-K90 WeakPolarHBondContact O-CA 3.5Å; S73-K90 WeakPolarHBondContact OG-CG 3.22Å; N74-K90 VanDerWaalsContact OD1-CE 3.24Å; N74-K90 WeakPolarHBondContact OD1-CE 3.39Å; N74-K90 PolarHBondContact OD1-NZ 2.87Å; E82-K90 IonicContact OE1-NZ 3.66Å; E82-K90 PolarHBondContact OE1-NZ 3.42Å; P88-K90 PolarHBondContact O-N 2.8Å; K90-H105 WeakPolarHBondContact CB-CE1 3.47Å; K90-H105 PolarHBondContact O-N 2.97Å; K90-L107 WeakPolarHBondContact CD-O 3.24Å | ||
| 91 | G | 98.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 170 | 179 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115 | A71 Y72 V103 H105 | A71-G91 WeakPolarHBondContact CA-O 2.99Å; Y72-G91 WeakPolarHBondContact CD1-O 3.43Å; Y72-G91 VanDerWaalsContact CE2-N 3.29Å; Y72-G91 PolarHBondContact N-O 2.81Å; Y72-G91 PolarHBondContact O-N 3.02Å; G91-V103 CarbonylContact C-O 3.53Å; G91-V103 WeakPolarHBondContact CA-O 3.38Å; G91-H105 PolarHBondContact N-NE2 3.49Å |
| 92 | M | 98.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 138.7 | 176.7 | -176.3 | -174.3 | 68.4 | 0 | 0 | 110.2 | L57 I60 I69 I70 A71 W102 V103 P111 M113 | L57-M92 HydrophobicContact CD2-CE 3.3Å; L57-M92 HydrophobicContact CD2-SD 4.38Å; I60-M92 HydrophobicContact CD1-CE 3.53Å; I60-M92 HydrophobicContact CG2-CE 4.24Å; I60-M92 HydrophobicContact CG2-SD 4.24Å; I69-M92 HydrophobicContact CG2-CG 4.28Å; I69-M92 HydrophobicContact CG2-SD 4.49Å; I70-M92 CarbonylContact O-C 3.51Å; I70-M92 VanDerWaalsContact O-CA 3.25Å; I70-M92 WeakPolarHBondContact O-CA 3.18Å; A71-M92 HydrophobicContact CB-CB 4.28Å; A71-M92 HydrophobicContact CB-CG 4.13Å; M92-W102 WeakPolarHBondContact O-CA 3.29Å; M92-V103 PolarHBondContact N-O 3.47Å; M92-V103 PolarHBondContact O-N 2.87Å; M92-P111 HydrophobicContact CB-CG 4.39Å; M92-P111 HydrophobicContact SD-CG 4.18Å; M92-M113 HydrophobicContact SD-CE 4Å; M92-M113 HydrophobicContact SD-SD 3.68Å; M92-M113 VanDerWaalsContact SD-SD 3.68Å |
| 93 | L | 98 | Very high | 95.3 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 138.8 | 167.6 | -72.1 | 165.4 | 0 | 0 | 0 | 108.9 | I69 I70 W95 V101 W102 M142 L145 L149 F174 | I69-L93 VanDerWaalsContact CA-O 3.29Å; I69-L93 WeakPolarHBondContact CA-O 3.04Å; I70-L93 PolarHBondContact N-O 3.27Å; I70-L93 PolarHBondContact O-N 3.24Å; L93-W95 HydrophobicContact CB-CE3 4.28Å; L93-W95 HydrophobicContact CB-CZ3 3.86Å; L93-V101 WeakPolarHBondContact CA-O 3.3Å; L93-W102 HydrophobicContact CD2-CB 3.46Å; L93-W102 VanDerWaalsContact CD2-CB 3.46Å; L93-W102 HydrophobicContact CD2-CD2 4.34Å; L93-W102 HydrophobicContact CD2-CG 3.45Å; L93-W102 VanDerWaalsContact CD2-CG 3.45Å; L93-W102 HydrophobicContact CG-CG 4.34Å; L93-M142 HydrophobicContact CD2-CE 4.42Å; L93-L145 HydrophobicContact CD2-CD2 3.63Å; L93-L149 HydrophobicContact CD1-CD1 3.45Å; L93-L149 VanDerWaalsContact CD1-CD1 3.45Å; L93-L149 HydrophobicContact CG-CD1 4.46Å; L93-F174 HydrophobicContact CD1-CE1 3.94Å |
| 94 | A | 97.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 132.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | M1 I60 N68 I69 G100 V101 | M1-A94 HydrophobicContact SD-CB 4.15Å; I60-A94 HydrophobicContact CB-CB 4.45Å; I60-A94 HydrophobicContact CD1-CB 3.68Å; I60-A94 HydrophobicContact CG1-CB 3.81Å; I60-A94 HydrophobicContact CG2-CB 3.76Å; N68-A94 CarbonylContact O-C 3.44Å; N68-A94 VanDerWaalsContact O-CA 3.23Å; N68-A94 WeakPolarHBondContact O-CA 3.21Å; I69-A94 HydrophobicContact CG1-CB 4.16Å; A94-G100 CarbonylContact O-C 3.37Å; A94-G100 WeakPolarHBondContact O-CA 3.41Å; A94-V101 HydrophobicContact CB-CG1 3.97Å; A94-V101 PolarHBondContact N-O 2.89Å; A94-V101 PolarHBondContact O-N 2.95Å |
| 95 | W | 95.7 | Very high | 95.9 | Very high | 6 Ų | 6 | 26.1 Ų | 26.1 | 2% | 0.023 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 163.3 | 174 | 72.2 | 109.6 | 0 | 0 | 0 | 112.8 | M1 N68 L93 M142 L167 L168 F174 | M1-W95 VanDerWaalsContact CE-CA 3.44Å; M1-W95 HydrophobicContact CE-CB 4.35Å; N68-W95 HydrophobicContact CB-CD2 3.73Å; N68-W95 HydrophobicContact CB-CE3 4.08Å; N68-W95 HydrophobicContact CB-CG 4.25Å; N68-W95 HydrophobicContact CB-CH2 4.47Å; N68-W95 HydrophobicContact CB-CZ2 4.08Å; N68-W95 HydrophobicContact CB-CZ3 4.43Å; N68-W95 WeakPolarHBondContact CB-O 3.23Å; N68-W95 PolarHBondContact N-O 2.78Å; N68-W95 PolarHBondContact O-N 2.75Å; L93-W95 HydrophobicContact CB-CE3 4.28Å; L93-W95 HydrophobicContact CB-CZ3 3.86Å; W95-M142 HydrophobicContact CB-CE 4.21Å; W95-M142 HydrophobicContact CD2-CE 3.33Å; W95-M142 HydrophobicContact CE3-CE 3.23Å; W95-M142 HydrophobicContact CG-CE 3.79Å; W95-M142 HydrophobicContact CH2-CE 3.87Å; W95-M142 HydrophobicContact CZ2-CE 4.03Å; W95-M142 HydrophobicContact CZ3-CE 3.53Å; W95-L167 HydrophobicContact CZ2-CB 4.37Å; W95-L167 VanDerWaalsContact NE1-CD1 3.32Å; W95-L168 HydrophobicContact CH2-CD2 2.99Å; W95-L168 HydrophobicContact CH2-CG 4.35Å; W95-L168 HydrophobicContact CZ2-CD2 3.42Å; W95-L168 VanDerWaalsContact CZ2-CD2 3.42Å; W95-L168 HydrophobicContact CZ3-CD2 3.7Å; W95-F174 AromaticContact CH2-CD1 3.88Å; W95-F174 HydrophobicContact CH2-CD1 3.88Å; W95-F174 AromaticContact CH2-CD2 3.72Å; W95-F174 HydrophobicContact CH2-CD2 3.72Å; W95-F174 AromaticContact CH2-CE1 3.58Å; W95-F174 HydrophobicContact CH2-CE1 3.58Å; W95-F174 AromaticContact CH2-CE2 3.4Å; W95-F174 HydrophobicContact CH2-CE2 3.4Å; W95-F174 VanDerWaalsContact CH2-CE2 3.4Å; W95-F174 AromaticContact CH2-CG 3.95Å; W95-F174 HydrophobicContact CH2-CG 3.95Å; W95-F174 AromaticContact CH2-CZ 3.32Å; W95-F174 HydrophobicContact CH2-CZ 3.32Å; W95-F174 AromaticContact CZ2-CD2 3.67Å; W95-F174 HydrophobicContact CZ2-CD2 3.67Å; W95-F174 HydrophobicContact CZ2-CE1 4.42Å; W95-F174 AromaticContact CZ2-CE2 3.39Å; W95-F174 HydrophobicContact CZ2-CE2 3.39Å; W95-F174 HydrophobicContact CZ2-CG 4.3Å; W95-F174 AromaticContact CZ2-CZ 3.81Å; W95-F174 HydrophobicContact CZ2-CZ 3.81Å; W95-F174 HydrophobicContact CZ3-CE1 4.26Å; W95-F174 HydrophobicContact CZ3-CZ 4.1Å |
| 96 | E | 93.6 | Very high | 96.2 | Very high | 71 Ų | 71 | 18.7 Ų | 18.7 | 33% | 0.332 | 10% | 0.1 | S | C | . | . | S | Bend | trans | -116.9 | -135.3 | 172.7 | -59.1 | -175.7 | -170 | 0 | 0 | 106.8 | M1 N66 K67 S98 L167 | M1-E96 HydrophobicContact CE-CB 4.47Å; M1-E96 HydrophobicContact CE-CG 4.1Å; N66-E96 WeakPolarHBondContact O-CG 3.35Å; K67-E96 WeakPolarHBondContact CE-OE1 3.34Å; K67-E96 HydrophobicContact CG-CG 3.84Å; K67-E96 WeakPolarHBondContact CG-OE1 3.39Å; K67-E96 IonicContact NZ-OE1 2.93Å; K67-E96 PolarHBondContact NZ-OE1 2.85Å; E96-S98 PolarHBondContact O-N 2.6Å; E96-L167 VanDerWaalsContact O-CD1 3.24Å; E96-L167 WeakPolarHBondContact O-CD1 3.49Å |
| 97 | D | 90.3 | Very high | 96.4 | Very high | 98 Ų | 98 | 15.7 Ų | 15.7 | 52% | 0.524 | 9% | 0.086 | S | C | . | . | S | Bend | trans | -89 | 26.3 | 174.7 | -62.1 | -42.9 | 0 | 0 | 0 | 113.4 | Q139 S165 | D97-Q139 PolarHBondContact O-NE2 2.82Å; D97-Q139 PolarHBondContact O-OE1 2.9Å; D97-S165 WeakPolarHBondContact OD1-CB 3.15Å; D97-S165 PolarHBondContact OD1-OG 2.81Å |
| 98 | S | 91.5 | Very high | 96.5 | Very high | 56 Ų | 56 | 16.2 Ų | 16.2 | 39% | 0.392 | 9% | 0.09 | S | C | . | . | S | Bend | trans | -145.7 | -171 | -176 | 59.7 | 0 | 0 | 0 | 0 | 110.1 | E96 G100 | E96-S98 PolarHBondContact O-N 2.6Å; S98-G100 PolarHBondContact O-N 2.84Å |
| 99 | D | 93.8 | Very high | 96.5 | Very high | 41 Ų | 41 | 19.7 Ų | 19.7 | 22% | 0.219 | 10% | 0.103 | C | C | . | . | trans | -46.9 | 134.9 | 177.1 | -64.7 | -5.1 | 0 | 0 | 0 | 112.9 | M1 I136 V137 P138 Q139 T197 | M1-D99 WeakPolarHBondContact CE-O 3.31Å; D99-I136 HydrophobicContact CB-CG2 3.94Å; D99-V137 CarbonylContact C-O 3.51Å; D99-V137 WeakPolarHBondContact CA-O 3.47Å; D99-V137 WeakPolarHBondContact CB-O 3.47Å; D99-P138 WeakPolarHBondContact OD1-CA 3.48Å; D99-Q139 PolarHBondContact OD1-N 2.97Å; D99-T197 VanDerWaalsContact OD2-CB 3.29Å; D99-T197 WeakPolarHBondContact OD2-CB 3.44Å; D99-T197 WeakPolarHBondContact OD2-CG2 3.17Å; D99-T197 PolarHBondContact OD2-OG1 2.88Å | ||
| 100 | G | 95.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 164.3 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | A94 S98 I136 V137 | A94-G100 CarbonylContact O-C 3.37Å; A94-G100 WeakPolarHBondContact O-CA 3.41Å; S98-G100 PolarHBondContact O-N 2.84Å; G100-I136 CarbonylContact O-C 3.59Å; G100-I136 WeakPolarHBondContact O-CA 3.03Å; G100-V137 PolarHBondContact N-O 3.05Å; G100-V137 PolarHBondContact O-N 2.87Å |
| 101 | V | 95.9 | Very high | 96.5 | Very high | 1 Ų | 1 | 19.6 Ų | 19.6 | 1% | 0.006 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 132.5 | 165.9 | 58.7 | 0 | 0 | 0 | 0 | 109.9 | M1 C3 T56 I60 L93 A94 V103 C134 I136 | M1-V101 HydrophobicContact CB-CB 4.32Å; M1-V101 HydrophobicContact CB-CG1 3.98Å; M1-V101 HydrophobicContact CG-CG1 4.37Å; M1-V101 HydrophobicContact SD-CG1 4.18Å; C3-V101 VanDerWaalsContact SG-CG2 3.56Å; T56-V101 HydrophobicContact CG2-CG2 3.72Å; I60-V101 HydrophobicContact CD1-CG1 3.65Å; L93-V101 WeakPolarHBondContact CA-O 3.3Å; A94-V101 HydrophobicContact CB-CG1 3.97Å; A94-V101 PolarHBondContact N-O 2.89Å; A94-V101 PolarHBondContact O-N 2.95Å; V101-V103 HydrophobicContact CG2-CG2 4.27Å; V101-C134 WeakPolarHBondContact CG2-SG 3.37Å; V101-I136 HydrophobicContact CB-CD1 4.15Å; V101-I136 HydrophobicContact CG2-CD1 4.34Å |
| 102 | W | 97.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 115.6 | 177.1 | -175.9 | 26 | 0 | 0 | 0 | 110.3 | Y72 M92 L93 L104 C134 I135 V137 L145 L149 L205 V305 | Y72-W102 PolarHBondContact OH-NE1 2.86Å; M92-W102 WeakPolarHBondContact O-CA 3.29Å; L93-W102 HydrophobicContact CD2-CB 3.46Å; L93-W102 VanDerWaalsContact CD2-CB 3.46Å; L93-W102 HydrophobicContact CD2-CD2 4.34Å; L93-W102 HydrophobicContact CD2-CG 3.45Å; L93-W102 VanDerWaalsContact CD2-CG 3.45Å; L93-W102 HydrophobicContact CG-CG 4.34Å; W102-L104 HydrophobicContact CD2-CD1 4.13Å; W102-L104 HydrophobicContact CD2-CG 4.13Å; W102-L104 HydrophobicContact CE3-CD1 4.22Å; W102-L104 HydrophobicContact CH2-CD1 3.87Å; W102-L104 HydrophobicContact CH2-CD2 4.36Å; W102-L104 HydrophobicContact CH2-CG 4.46Å; W102-L104 HydrophobicContact CZ2-CD1 3.76Å; W102-L104 HydrophobicContact CZ2-CD2 3.49Å; W102-L104 VanDerWaalsContact CZ2-CD2 3.49Å; W102-L104 HydrophobicContact CZ2-CG 3.84Å; W102-L104 HydrophobicContact CZ3-CD1 4.07Å; W102-C134 CarbonylContact O-C 3.47Å; W102-C134 WeakPolarHBondContact O-CA 3.48Å; W102-I135 HydrophobicContact CE3-CD1 4.15Å; W102-I135 HydrophobicContact CZ3-CD1 4.38Å; W102-I135 PolarHBondContact N-O 2.98Å; W102-I135 PolarHBondContact O-N 2.88Å; W102-V137 HydrophobicContact CB-CG2 3.75Å; W102-V137 HydrophobicContact CE3-CG2 4.44Å; W102-L145 HydrophobicContact CD2-CD1 4.31Å; W102-L145 HydrophobicContact CD2-CD2 4.08Å; W102-L145 HydrophobicContact CE3-CD1 4.03Å; W102-L145 HydrophobicContact CE3-CD2 4.06Å; W102-L145 HydrophobicContact CG-CD2 4.33Å; W102-L145 HydrophobicContact CH2-CD1 3.65Å; W102-L145 HydrophobicContact CZ2-CD1 3.94Å; W102-L145 HydrophobicContact CZ3-CD1 3.72Å; W102-L149 HydrophobicContact CZ2-CD2 3.89Å; W102-L205 HydrophobicContact CH2-CD2 3.49Å; W102-L205 VanDerWaalsContact CH2-CD2 3.49Å; W102-L205 HydrophobicContact CH2-CG 4.21Å; W102-L205 HydrophobicContact CZ3-CD2 3.64Å; W102-L205 HydrophobicContact CZ3-CG 4.21Å; W102-V305 HydrophobicContact CH2-CB 4.41Å; W102-V305 HydrophobicContact CH2-CG1 4.1Å; W102-V305 HydrophobicContact CH2-CG2 3.44Å; W102-V305 VanDerWaalsContact CH2-CG2 3.44Å; W102-V305 HydrophobicContact CZ2-CG2 4.2Å; W102-V305 HydrophobicContact CZ3-CG1 3.8Å; W102-V305 HydrophobicContact CZ3-CG2 4.05Å |
| 103 | V | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 120.5 | 175.4 | -176.2 | 0 | 0 | 0 | 0 | 108.9 | T56 G91 M92 V101 W110 I132 M133 C134 | T56-V103 HydrophobicContact CG2-CG2 4.19Å; G91-V103 CarbonylContact C-O 3.53Å; G91-V103 WeakPolarHBondContact CA-O 3.38Å; M92-V103 PolarHBondContact N-O 3.47Å; M92-V103 PolarHBondContact O-N 2.87Å; V101-V103 HydrophobicContact CG2-CG2 4.27Å; V103-W110 HydrophobicContact CG1-CH2 3.96Å; V103-W110 HydrophobicContact CG1-CZ3 3.99Å; V103-I132 HydrophobicContact CG1-CG2 3.73Å; V103-M133 CarbonylContact C-O 3.49Å; V103-M133 WeakPolarHBondContact CA-O 3.32Å; V103-C134 HydrophobicContact CG2-CB 4.39Å |
| 104 | L | 98.2 | Very high | 96.2 | Very high | 15 Ų | 15 | 28.8 Ų | 28.8 | 8% | 0.079 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 142 | 171.3 | -69.6 | 159.9 | 0 | 0 | 0 | 108.8 | W102 I132 M133 V305 | W102-L104 HydrophobicContact CD2-CD1 4.13Å; W102-L104 HydrophobicContact CD2-CG 4.13Å; W102-L104 HydrophobicContact CE3-CD1 4.22Å; W102-L104 HydrophobicContact CH2-CD1 3.87Å; W102-L104 HydrophobicContact CH2-CD2 4.36Å; W102-L104 HydrophobicContact CH2-CG 4.46Å; W102-L104 HydrophobicContact CZ2-CD1 3.76Å; W102-L104 HydrophobicContact CZ2-CD2 3.49Å; W102-L104 VanDerWaalsContact CZ2-CD2 3.49Å; W102-L104 HydrophobicContact CZ2-CG 3.84Å; W102-L104 HydrophobicContact CZ3-CD1 4.07Å; L104-I132 CarbonylContact O-C 3.54Å; L104-I132 VanDerWaalsContact O-CA 3.28Å; L104-I132 WeakPolarHBondContact O-CA 3.38Å; L104-M133 HydrophobicContact CB-CB 4.41Å; L104-M133 PolarHBondContact N-O 2.86Å; L104-M133 PolarHBondContact O-N 2.85Å; L104-V305 HydrophobicContact CD1-CB 3.84Å; L104-V305 HydrophobicContact CD1-CG1 3.91Å; L104-V305 HydrophobicContact CD1-CG2 3.67Å |
| 105 | H | 98.3 | Very high | 96.2 | Very high | 10 Ų | 10 | 29.4 Ų | 29.4 | 5% | 0.046 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 166.8 | 176.5 | 62.8 | 92.3 | 0 | 0 | 0 | 114.1 | K90 G91 L107 W110 L131 I132 | K90-H105 WeakPolarHBondContact CB-CE1 3.47Å; K90-H105 PolarHBondContact O-N 2.97Å; G91-H105 PolarHBondContact N-NE2 3.49Å; H105-L107 HydrophobicContact CB-CG 4.44Å; H105-L107 PolarHBondContact CE1-O 3.22Å; H105-L107 VanDerWaalsContact CE1-O 3.3Å; H105-L107 PolarHBondContact ND1-N 3.24Å; H105-L107 PolarHBondContact ND1-O 3.36Å; H105-W110 HydrophobicContact CB-CZ3 4.29Å; H105-W110 AromaticContact CD2-CE3 3.57Å; H105-W110 AromaticContact CD2-CZ3 3.45Å; H105-W110 VanDerWaalsContact CD2-CZ3 3.45Å; H105-W110 WeakPolarHBondContact CD2-CZ3 3.32Å; H105-W110 AromaticContact CE1-CE3 3.78Å; H105-W110 PolarHBondContact CE1-O 3.12Å; H105-W110 AromaticContact CG-CE3 3.78Å; H105-W110 AromaticContact CG-CZ3 3.83Å; H105-W110 AromaticContact ND1-CE3 3.92Å; H105-W110 AromaticContact NE2-CE3 3.59Å; H105-W110 AromaticContact NE2-CZ3 3.9Å; H105-W110 PolarHBondContact NE2-O 2.89Å; H105-L131 CarbonylContact C-O 3.54Å; H105-L131 WeakPolarHBondContact CA-O 3.42Å; H105-I132 HydrophobicContact CB-CB 4.39Å; H105-I132 HydrophobicContact CB-CG1 3.99Å; H105-I132 HydrophobicContact CB-CG2 4.34Å |
| 106 | T | 98 | Very high | 96.2 | Very high | 9 Ų | 9 | 33.8 Ų | 33.8 | 6% | 0.055 | 19% | 0.188 | C | C | . | . | trans | -107.9 | 3.7 | 167.5 | 67.2 | 0 | 0 | 0 | 0 | 113.7 | A130 L131 T272 | T106-A130 VanDerWaalsContact OG1-CA 3.3Å; T106-A130 WeakPolarHBondContact OG1-CA 3.21Å; T106-A130 VanDerWaalsContact OG1-CB 3.3Å; T106-A130 WeakPolarHBondContact OG1-CB 3.23Å; T106-L131 PolarHBondContact N-O 3.23Å; T106-L131 PolarHBondContact OG1-N 2.66Å; T106-T272 WeakPolarHBondContact CB-O 3.47Å; T106-T272 PolarHBondContact OG1-OG1 2.85Å; T106-T272 VanDerWaalsContact OG1-OG1 3.08Å | ||
| 107 | L | 97.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -63.9 | 138.9 | 177.4 | -61.1 | 173.8 | 0 | 0 | 0 | 112.2 | K19 K90 H105 W110 F123 P124 A130 I132 | K19-L107 HydrophobicContact CD-CD2 3.53Å; K90-L107 WeakPolarHBondContact CD-O 3.24Å; H105-L107 HydrophobicContact CB-CG 4.44Å; H105-L107 PolarHBondContact CE1-O 3.22Å; H105-L107 VanDerWaalsContact CE1-O 3.3Å; H105-L107 PolarHBondContact ND1-N 3.24Å; H105-L107 PolarHBondContact ND1-O 3.36Å; L107-W110 HydrophobicContact CB-CB 4.23Å; L107-W110 HydrophobicContact CD1-CB 4.48Å; L107-W110 HydrophobicContact CD1-CD2 3.86Å; L107-W110 HydrophobicContact CD1-CE3 3.94Å; L107-W110 HydrophobicContact CD1-CG 4.12Å; L107-W110 HydrophobicContact CD1-CZ3 4.49Å; L107-F123 HydrophobicContact CD1-CE2 3.96Å; L107-F123 HydrophobicContact CD1-CZ 4.2Å; L107-P124 HydrophobicContact CB-CG 4.07Å; L107-P124 HydrophobicContact CD1-CG 4.1Å; L107-P124 HydrophobicContact CD2-CG 3.95Å; L107-P124 HydrophobicContact CG-CG 4.27Å; L107-A130 HydrophobicContact CD2-CB 3.34Å; L107-A130 HydrophobicContact CG-CB 4.06Å; L107-I132 HydrophobicContact CD1-CD1 3.61Å; L107-I132 HydrophobicContact CD1-CG1 4Å; L107-I132 HydrophobicContact CG-CD1 4.36Å; L107-I132 HydrophobicContact CG-CG1 4.29Å | ||
| 108 | P | 97.3 | Very high | 96.5 | Very high | 14 Ų | 14 | 28.8 Ų | 28.8 | 9% | 0.091 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -80.4 | 157.4 | 166.5 | 36.5 | -35.7 | 0 | 0 | 0 | 110.9 | H75 W110 E127 | H75-P108 HydrophobicContact CB-CB 4.45Å; H75-P108 VanDerWaalsContact ND1-CB 3.28Å; H75-P108 WeakPolarHBondContact ND1-CB 3.4Å; P108-W110 PolarHBondContact O-N 2.92Å; P108-W110 VanDerWaalsContact O-N 3.13Å; P108-E127 HydrophobicContact CG-CB 4.32Å; P108-E127 HydrophobicContact CG-CG 3.61Å |
| 109 | K | 97.2 | Very high | 96.7 | Very high | 83 Ų | 83 | 28.9 Ų | 28.9 | 36% | 0.361 | 16% | 0.162 | S | C | . | . | S | Bend | trans | 54.4 | 31.9 | 169.3 | -54.6 | -174 | -171.4 | -165.4 | 0 | 115.4 | H75 A79 | H75-K109 WeakPolarHBondContact NE2-CE 3.36Å; H75-K109 VanDerWaalsContact O-CA 3.28Å; H75-K109 WeakPolarHBondContact O-CA 3.38Å; H75-K109 PolarHBondContact O-N 2.8Å; A79-K109 WeakPolarHBondContact O-CE 3.46Å; A79-K109 PolarHBondContact O-NZ 3.25Å |
| 110 | W | 98 | Very high | 96.7 | Very high | 6 Ų | 6 | 29.7 Ų | 29.7 | 2% | 0.023 | 17% | 0.169 | C | C | . | . | trans | -145.6 | 150.9 | -174.9 | -176.3 | 91.2 | 0 | 0 | 0 | 111.4 | L53 L57 V103 H105 L107 P108 F123 P124 | L53-W110 HydrophobicContact CD1-CH2 4.09Å; L53-W110 HydrophobicContact CD1-CZ2 4.3Å; L53-W110 HydrophobicContact CD2-CH2 4.16Å; L53-W110 HydrophobicContact CD2-CZ2 3.76Å; L53-W110 HydrophobicContact CG-CH2 4.48Å; L53-W110 HydrophobicContact CG-CZ2 4.2Å; L57-W110 HydrophobicContact CD1-CH2 4.07Å; L57-W110 HydrophobicContact CD1-CZ2 3.34Å; L57-W110 HydrophobicContact CG-CZ2 4.39Å; V103-W110 HydrophobicContact CG1-CH2 3.96Å; V103-W110 HydrophobicContact CG1-CZ3 3.99Å; H105-W110 HydrophobicContact CB-CZ3 4.29Å; H105-W110 AromaticContact CD2-CE3 3.57Å; H105-W110 AromaticContact CD2-CZ3 3.45Å; H105-W110 VanDerWaalsContact CD2-CZ3 3.45Å; H105-W110 WeakPolarHBondContact CD2-CZ3 3.32Å; H105-W110 AromaticContact CE1-CE3 3.78Å; H105-W110 PolarHBondContact CE1-O 3.12Å; H105-W110 AromaticContact CG-CE3 3.78Å; H105-W110 AromaticContact CG-CZ3 3.83Å; H105-W110 AromaticContact ND1-CE3 3.92Å; H105-W110 AromaticContact NE2-CE3 3.59Å; H105-W110 AromaticContact NE2-CZ3 3.9Å; H105-W110 PolarHBondContact NE2-O 2.89Å; L107-W110 HydrophobicContact CB-CB 4.23Å; L107-W110 HydrophobicContact CD1-CB 4.48Å; L107-W110 HydrophobicContact CD1-CD2 3.86Å; L107-W110 HydrophobicContact CD1-CE3 3.94Å; L107-W110 HydrophobicContact CD1-CG 4.12Å; L107-W110 HydrophobicContact CD1-CZ3 4.49Å; P108-W110 PolarHBondContact O-N 2.92Å; P108-W110 VanDerWaalsContact O-N 3.13Å; W110-F123 AromaticContact NE1-CD2 3.95Å; W110-P124 HydrophobicContact CB-CG 4.22Å | ||
| 111 | P | 97.1 | Very high | 96.7 | Very high | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.013 | 21% | 0.206 | C | C | . | . | cis | -80.7 | 153.1 | -10.7 | 32.7 | -35.8 | 0 | 0 | 0 | 113.3 | P77 M92 M113 Y157 | P77-P111 WeakPolarHBondContact CG-O 3.44Å; M92-P111 HydrophobicContact CB-CG 4.39Å; M92-P111 HydrophobicContact SD-CG 4.18Å; P111-M113 HydrophobicContact CB-SD 4.46Å; P111-M113 HydrophobicContact CG-SD 3.96Å; P111-M113 PolarHBondContact O-N 3.39Å; P111-M113 VanDerWaalsContact O-N 3.16Å; P111-Y157 VanDerWaalsContact CD-OH 3.23Å; P111-Y157 WeakPolarHBondContact CD-OH 3.49Å; P111-Y157 PolarHBondContact O-OH 3.16Å | ||
| 112 | N | 97.1 | Very high | 96.7 | Very high | 40 Ų | 40 | 36.7 Ų | 36.7 | 21% | 0.214 | 22% | 0.219 | C | C | . | . | trans | -76.7 | 98.8 | 175.4 | -178.1 | 11.2 | 0 | 0 | 0 | 111.9 | P77 N114 A115 D122 | P77-N112 HydrophobicContact CB-CB 4.46Å; P77-N112 HydrophobicContact CG-CB 4.48Å; N112-N114 PolarHBondContact O-N 3.36Å; N112-N114 WeakPolarHBondContact OD1-CB 3.38Å; N112-N114 PolarHBondContact OD1-N 2.94Å; N112-N114 VanDerWaalsContact OD1-N 3.13Å; N112-A115 PolarHBondContact O-N 2.89Å; N112-D122 HydrophobicContact CB-CB 4.18Å; N112-D122 WeakPolarHBondContact CB-OD2 3.39Å; N112-D122 PolarHBondContact ND2-OD2 3.39Å | ||
| 113 | M | 97.1 | Very high | 96.7 | Very high | 5 Ų | 5 | 37.2 Ų | 37.2 | 3% | 0.025 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -8.2 | -178.5 | -61.5 | -52.7 | -60 | 0 | 0 | 114.3 | L61 K64 I69 A71 M92 P111 Y157 F158 | L61-M113 HydrophobicContact CD2-CE 4.14Å; L61-M113 HydrophobicContact CD2-SD 4.1Å; K64-M113 HydrophobicContact CD-CE 4.34Å; K64-M113 WeakPolarHBondContact CE-O 3.4Å; I69-M113 HydrophobicContact CD1-CE 4.48Å; I69-M113 HydrophobicContact CG2-CE 3.66Å; A71-M113 HydrophobicContact CB-CG 3.71Å; A71-M113 HydrophobicContact CB-SD 4.18Å; M92-M113 HydrophobicContact SD-CE 4Å; M92-M113 HydrophobicContact SD-SD 3.68Å; M92-M113 VanDerWaalsContact SD-SD 3.68Å; P111-M113 HydrophobicContact CB-SD 4.46Å; P111-M113 HydrophobicContact CG-SD 3.96Å; P111-M113 PolarHBondContact O-N 3.39Å; P111-M113 VanDerWaalsContact O-N 3.16Å; M113-Y157 HydrophobicContact CB-CE2 4.2Å; M113-Y157 HydrophobicContact CG-CE2 3.71Å; M113-F158 HydrophobicContact CB-CB 3.79Å; M113-F158 HydrophobicContact CB-CD1 3.82Å; M113-F158 HydrophobicContact CB-CD2 3.55Å; M113-F158 HydrophobicContact CB-CE1 4.3Å; M113-F158 HydrophobicContact CB-CE2 4.05Å; M113-F158 HydrophobicContact CB-CG 3.42Å; M113-F158 VanDerWaalsContact CB-CG 3.42Å; M113-F158 HydrophobicContact CB-CZ 4.41Å; M113-F158 HydrophobicContact CE-CD1 3.74Å; M113-F158 HydrophobicContact CE-CE1 3.68Å; M113-F158 HydrophobicContact CE-CG 4.5Å; M113-F158 HydrophobicContact CE-CZ 4.37Å; M113-F158 HydrophobicContact CG-CB 3.83Å; M113-F158 HydrophobicContact CG-CD1 3.88Å; M113-F158 HydrophobicContact CG-CD2 4.42Å; M113-F158 HydrophobicContact CG-CG 3.79Å |
| 114 | N | 95.6 | Very high | 96.6 | Very high | 147 Ų | 147 | 38 Ų | 38 | 79% | 0.786 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -22 | 173.5 | -65.5 | -20.8 | 0 | 0 | 0 | 112.3 | N112 | N112-N114 PolarHBondContact O-N 3.36Å; N112-N114 WeakPolarHBondContact OD1-CB 3.38Å; N112-N114 PolarHBondContact OD1-N 2.94Å; N112-N114 VanDerWaalsContact OD1-N 3.13Å |
| 115 | A | 96.1 | Very high | 96.5 | Very high | 13 Ų | 13 | 38.9 Ų | 38.9 | 11% | 0.107 | 24% | 0.236 | C | C | . | . | trans | -66.7 | 135.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | K64 N112 D117 V119 | K64-A115 PolarHBondContact NZ-O 3.03Å; N112-A115 PolarHBondContact O-N 2.89Å; A115-D117 VanDerWaalsContact C-N 3.32Å; A115-D117 WeakPolarHBondContact CB-O 3.41Å; A115-V119 HydrophobicContact CB-CG2 4.04Å | ||
| 116 | S | 96.4 | Very high | 96.4 | Very high | 98 Ų | 98 | 42.7 Ų | 42.7 | 69% | 0.685 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -84.3 | -6.4 | 176.1 | 52.2 | 0 | 0 | 0 | 0 | 113.6 | L61 S62 | L61-S116 CarbonylContact C-O 3.47Å; S62-S116 VanDerWaalsContact CA-O 3.26Å; S62-S116 WeakPolarHBondContact CA-O 3.44Å; S62-S116 PolarHBondContact N-O 2.92Å |
| 117 | D | 96.2 | Very high | 96.3 | Very high | 54 Ų | 54 | 45.4 Ų | 45.4 | 29% | 0.289 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -147 | 173.7 | 176.9 | -160 | 4.6 | 0 | 0 | 0 | 109.9 | K58 L61 S62 A115 V119 | K58-D117 WeakPolarHBondContact CD-OD1 3.37Å; K58-D117 WeakPolarHBondContact CE-OD1 3.49Å; K58-D117 WeakPolarHBondContact CE-OD2 3.44Å; K58-D117 VanDerWaalsContact CG-OD1 3.29Å; K58-D117 WeakPolarHBondContact CG-OD1 3.17Å; K58-D117 IonicContact NZ-OD1 2.87Å; K58-D117 PolarHBondContact NZ-OD1 3.39Å; K58-D117 IonicContact NZ-OD2 2.85Å; K58-D117 PolarHBondContact NZ-OD2 2.85Å; L61-D117 WeakPolarHBondContact CD1-O 3.43Å; S62-D117 PolarHBondContact OG-OD1 3.16Å; A115-D117 VanDerWaalsContact C-N 3.32Å; A115-D117 WeakPolarHBondContact CB-O 3.41Å; D117-V119 PolarHBondContact O-N 3.38Å |
| 118 | F | 94.5 | Very high | 96.3 | Very high | 10 Ų | 10 | 49.1 Ų | 49.1 | 4% | 0.044 | 29% | 0.292 | C | S | . | . | trans | -68.2 | 116.1 | 168.5 | -176.4 | -94.4 | 0 | 0 | 0 | 110.2 | L44 S45 D47 R54 L57 K58 | L44-F118 WeakPolarHBondContact O-CZ 3.49Å; S45-F118 WeakPolarHBondContact O-CE1 3.2Å; D47-F118 HydrophobicContact CB-CD1 4.12Å; R54-F118 HydrophobicContact CB-CD1 4.02Å; R54-F118 HydrophobicContact CB-CD2 4.11Å; R54-F118 HydrophobicContact CB-CE1 3.8Å; R54-F118 HydrophobicContact CB-CE2 3.9Å; R54-F118 HydrophobicContact CB-CG 4.17Å; R54-F118 HydrophobicContact CB-CZ 3.75Å; R54-F118 HydrophobicContact CG-CB 4.28Å; R54-F118 HydrophobicContact CG-CD1 3.52Å; R54-F118 HydrophobicContact CG-CD2 4.14Å; R54-F118 HydrophobicContact CG-CE1 3.78Å; R54-F118 HydrophobicContact CG-CE2 4.36Å; R54-F118 HydrophobicContact CG-CG 3.71Å; R54-F118 HydrophobicContact CG-CZ 4.2Å; L57-F118 HydrophobicContact CB-CD2 3.95Å; L57-F118 HydrophobicContact CB-CE2 4.48Å; L57-F118 HydrophobicContact CD1-CD2 4.13Å; L57-F118 HydrophobicContact CD1-CE2 4.02Å; K58-F118 HydrophobicContact CB-CB 3.87Å; K58-F118 HydrophobicContact CD-CB 3.97Å; K58-F118 HydrophobicContact CG-CB 4.41Å | ||
| 119 | V | 95.3 | Very high | 96.4 | Very high | 59 Ų | 59 | 48.4 Ų | 48.4 | 36% | 0.358 | 29% | 0.288 | S | S | . | . | trans | -110.3 | 114.7 | -177.7 | 178.3 | 0 | 0 | 0 | 0 | 109.1 | A115 D117 A121 D122 | A115-V119 HydrophobicContact CB-CG2 4.04Å; D117-V119 PolarHBondContact O-N 3.38Å; V119-A121 VanDerWaalsContact C-N 3.26Å; V119-A121 HydrophobicContact CG1-CB 4.24Å; V119-A121 PolarHBondContact O-N 3.01Å; V119-D122 HydrophobicContact CB-CB 4.32Å; V119-D122 WeakPolarHBondContact O-CB 3.39Å; V119-D122 PolarHBondContact O-N 3.43Å | ||
| 120 | P | 94.1 | Very high | 96.4 | Very high | 58 Ų | 58 | 44.5 Ų | 44.5 | 38% | 0.377 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -51.7 | -41.5 | 179.9 | -33.4 | 38 | 0 | 0 | 0 | 114.7 | S45 D47 D122 F123 | S45-P120 WeakPolarHBondContact O-CA 3.34Å; S45-P120 WeakPolarHBondContact O-CB 3.46Å; S45-P120 WeakPolarHBondContact O-CG 3.27Å; D47-P120 HydrophobicContact CB-CG 4.24Å; P120-D122 PolarHBondContact O-N 2.55Å; P120-F123 PolarHBondContact O-N 3.01Å; P120-F123 VanDerWaalsContact O-N 3.15Å |
| 121 | A | 95 | Very high | 96.4 | Very high | 92 Ų | 92 | 44.2 Ų | 44.2 | 76% | 0.76 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | -66.3 | -17.1 | -179 | 0 | 0 | 0 | 0 | 0 | 114.2 | V119 F123 | V119-A121 VanDerWaalsContact C-N 3.26Å; V119-A121 HydrophobicContact CG1-CB 4.24Å; V119-A121 PolarHBondContact O-N 3.01Å; A121-F123 VanDerWaalsContact C-N 3.31Å |
| 122 | D | 95.8 | Very high | 96.5 | Very high | 55 Ų | 55 | 44.1 Ų | 44.1 | 29% | 0.294 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -80.7 | -12.9 | 177.3 | -73.5 | -15.7 | 0 | 0 | 0 | 112.4 | N112 V119 P120 | N112-D122 HydrophobicContact CB-CB 4.18Å; N112-D122 WeakPolarHBondContact CB-OD2 3.39Å; N112-D122 PolarHBondContact ND2-OD2 3.39Å; V119-D122 HydrophobicContact CB-CB 4.32Å; V119-D122 WeakPolarHBondContact O-CB 3.39Å; V119-D122 PolarHBondContact O-N 3.43Å; P120-D122 PolarHBondContact O-N 2.55Å |
| 123 | F | 97.4 | Very high | 96.5 | Very high | 11 Ų | 11 | 42.2 Ų | 42.2 | 5% | 0.048 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -74.3 | 126.2 | 174.6 | -167.2 | -93.2 | 0 | 0 | 0 | 110.3 | K19 A24 L44 L53 L107 W110 P120 A121 A125 I132 | K19-F123 HydrophobicContact CD-CE1 3.99Å; K19-F123 HydrophobicContact CD-CZ 4.13Å; K19-F123 HydrophobicContact CG-CE1 4.14Å; K19-F123 HydrophobicContact CG-CZ 4.18Å; A24-F123 HydrophobicContact CB-CD1 3.88Å; A24-F123 HydrophobicContact CB-CE1 4.13Å; L44-F123 HydrophobicContact CB-CD2 4.2Å; L44-F123 HydrophobicContact CB-CE1 4.11Å; L44-F123 HydrophobicContact CB-CE2 3.64Å; L44-F123 HydrophobicContact CB-CZ 3.6Å; L44-F123 HydrophobicContact CD1-CE2 4.08Å; L44-F123 HydrophobicContact CD1-CZ 3.77Å; L44-F123 HydrophobicContact CG-CZ 4.32Å; L53-F123 HydrophobicContact CD2-CE2 3.98Å; L107-F123 HydrophobicContact CD1-CE2 3.96Å; L107-F123 HydrophobicContact CD1-CZ 4.2Å; W110-F123 AromaticContact NE1-CD2 3.95Å; P120-F123 PolarHBondContact O-N 3.01Å; P120-F123 VanDerWaalsContact O-N 3.15Å; A121-F123 VanDerWaalsContact C-N 3.31Å; F123-A125 PolarHBondContact O-N 3.31Å; F123-I132 HydrophobicContact CE2-CD1 4.27Å; F123-I132 HydrophobicContact CZ-CD1 4.47Å |
| 124 | P | 96.5 | Very high | 96.5 | Very high | 18 Ų | 18 | 42 Ų | 42 | 12% | 0.117 | 26% | 0.258 | C | S | . | . | trans | -78.7 | 65.7 | -172.9 | 32.9 | -37.6 | 0 | 0 | 0 | 112.3 | K19 L107 W110 S126 E127 | K19-P124 WeakPolarHBondContact CE-O 3.41Å; L107-P124 HydrophobicContact CB-CG 4.07Å; L107-P124 HydrophobicContact CD1-CG 4.1Å; L107-P124 HydrophobicContact CD2-CG 3.95Å; L107-P124 HydrophobicContact CG-CG 4.27Å; W110-P124 HydrophobicContact CB-CG 4.22Å; P124-S126 PolarHBondContact O-N 3.41Å; P124-E127 HydrophobicContact CB-CB 4.36Å; P124-E127 HydrophobicContact CB-CG 3.78Å; P124-E127 WeakPolarHBondContact O-CB 3.44Å; P124-E127 PolarHBondContact O-N 3.16Å | ||
| 125 | A | 96.2 | Very high | 96.5 | Very high | 33 Ų | 33 | 35 Ų | 35 | 27% | 0.273 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -41.2 | -174 | 0 | 0 | 0 | 0 | 0 | 113.2 | K19 R22 T23 A24 F123 E127 | K19-A125 PolarHBondContact NZ-O 3.25Å; K19-A125 VanDerWaalsContact NZ-O 3.11Å; R22-A125 CarbonylContact C-O 3.46Å; R22-A125 WeakPolarHBondContact CA-O 3.11Å; T23-A125 CarbonylContact C-O 3.56Å; T23-A125 PolarHBondContact N-O 2.78Å; T23-A125 VanDerWaalsContact O-O 3.1Å; A24-A125 HydrophobicContact CB-CB 3.91Å; F123-A125 PolarHBondContact O-N 3.31Å; A125-E127 PolarHBondContact O-N 3.48Å; A125-E127 VanDerWaalsContact O-N 3.13Å |
| 126 | S | 96 | Very high | 96.4 | Very high | 89 Ų | 89 | 34.5 Ų | 34.5 | 62% | 0.622 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -9.2 | -178.6 | 59.4 | 0 | 0 | 0 | 0 | 114.1 | R22 P124 | R22-S126 WeakPolarHBondContact CD-O 3.4Å; R22-S126 PolarHBondContact NH1-O 3.14Å; P124-S126 PolarHBondContact O-N 3.41Å |
| 127 | E | 96.5 | Very high | 96.4 | Very high | 66 Ų | 66 | 29.9 Ų | 29.9 | 31% | 0.308 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -76.6 | 172.2 | -178.4 | -68.2 | -65.1 | 168.6 | 0 | 0 | 113.2 | K19 R22 P108 P124 A125 | K19-E127 PolarHBondContact NZ-O 3.49Å; R22-E127 PolarHBondContact N-O 2.84Å; P108-E127 HydrophobicContact CG-CB 4.32Å; P108-E127 HydrophobicContact CG-CG 3.61Å; P124-E127 HydrophobicContact CB-CB 4.36Å; P124-E127 HydrophobicContact CB-CG 3.78Å; P124-E127 WeakPolarHBondContact O-CB 3.44Å; P124-E127 PolarHBondContact O-N 3.16Å; A125-E127 PolarHBondContact O-N 3.48Å; A125-E127 VanDerWaalsContact O-N 3.13Å |
| 128 | K | 97.7 | Very high | 96.4 | Very high | 78 Ų | 78 | 27.5 Ų | 27.5 | 34% | 0.339 | 17% | 0.171 | S | C | . | . | P | Polyproline II helix | trans | -59.1 | 172.2 | 174.7 | -72.7 | -176.4 | -176.4 | -168.8 | 0 | 111.7 | K19 R22 D269 D270 T272 | K19-K128 PolarHBondContact NZ-O 3.01Å; K19-K128 VanDerWaalsContact NZ-O 3.08Å; R22-K128 VanDerWaalsContact NH1-N 3.19Å; K128-D269 WeakPolarHBondContact CD-O 3.31Å; K128-D269 WeakPolarHBondContact CE-O 3.39Å; K128-D269 PolarHBondContact NZ-O 2.87Å; K128-D270 WeakPolarHBondContact CB-O 3.35Å; K128-T272 HydrophobicContact CB-CG2 3.79Å; K128-T272 HydrophobicContact CD-CG2 4Å; K128-T272 HydrophobicContact CG-CG2 4.49Å |
| 129 | A | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | B | Isolated β-bridge | trans | -59.6 | 147.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y18 K19 P21 I266 D270 D271 T272 | Y18-A129 HydrophobicContact CE1-CB 4.27Å; K19-A129 WeakPolarHBondContact O-CA 3.09Å; K19-A129 WeakPolarHBondContact O-CB 3.27Å; P21-A129 HydrophobicContact CB-CB 4.3Å; A129-I266 HydrophobicContact CB-CD1 4.1Å; A129-I266 HydrophobicContact CB-CG2 3.73Å; A129-D270 WeakPolarHBondContact CB-O 3.46Å; A129-D270 PolarHBondContact N-O 3.01Å; A129-D271 HydrophobicContact CB-CB 4.23Å; A129-T272 PolarHBondContact O-N 3.41Å; A129-T272 PolarHBondContact O-OG1 3.34Å |
| 130 | A | 98.3 | Very high | 96.4 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.008 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 159.3 | -175 | 0 | 0 | 0 | 0 | 0 | 110 | Y18 K19 T106 L107 | Y18-A130 CarbonylContact C-O 3.59Å; K19-A130 HydrophobicContact CB-CB 4.39Å; K19-A130 HydrophobicContact CD-CB 4.38Å; K19-A130 PolarHBondContact N-O 3.44Å; K19-A130 PolarHBondContact O-N 2.93Å; K19-A130 VanDerWaalsContact O-N 3.08Å; T106-A130 VanDerWaalsContact OG1-CA 3.3Å; T106-A130 WeakPolarHBondContact OG1-CA 3.21Å; T106-A130 VanDerWaalsContact OG1-CB 3.3Å; T106-A130 WeakPolarHBondContact OG1-CB 3.23Å; L107-A130 HydrophobicContact CD2-CB 3.34Å; L107-A130 HydrophobicContact CG-CB 4.06Å |
| 131 | L | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 135 | 178.5 | -166.8 | 60.8 | 0 | 0 | 0 | 109.2 | I16 Y18 H105 T106 W275 F286 V288 | I16-L131 HydrophobicContact CG2-CD1 3.65Å; Y18-L131 HydrophobicContact CD2-CD1 3.73Å; Y18-L131 HydrophobicContact CE2-CD1 4.33Å; Y18-L131 HydrophobicContact CG-CD1 4.01Å; H105-L131 CarbonylContact C-O 3.54Å; H105-L131 WeakPolarHBondContact CA-O 3.42Å; T106-L131 PolarHBondContact N-O 3.23Å; T106-L131 PolarHBondContact OG1-N 2.66Å; L131-W275 HydrophobicContact CD2-CB 4.18Å; L131-F286 HydrophobicContact CD2-CZ 4.17Å; L131-V288 HydrophobicContact CD2-CB 4.41Å; L131-V288 HydrophobicContact CD2-CG1 4.17Å; L131-V288 HydrophobicContact CD2-CG2 3.55Å; L131-V288 HydrophobicContact CG-CG2 4.21Å |
| 132 | I | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 134.3 | 172.6 | -50.3 | 168.7 | 0 | 0 | 0 | 106.7 | I16 F17 L44 L53 V103 L104 H105 L107 F123 | I16-I132 WeakPolarHBondContact CA-O 3.46Å; F17-I132 HydrophobicContact CB-CB 4.14Å; F17-I132 HydrophobicContact CD2-CB 3.94Å; F17-I132 HydrophobicContact CD2-CG2 3.93Å; F17-I132 PolarHBondContact N-O 2.6Å; F17-I132 PolarHBondContact O-N 2.85Å; L44-I132 HydrophobicContact CD1-CD1 3.9Å; L53-I132 HydrophobicContact CD1-CG2 4.34Å; L53-I132 HydrophobicContact CD2-CD1 3.78Å; V103-I132 HydrophobicContact CG1-CG2 3.73Å; L104-I132 CarbonylContact O-C 3.54Å; L104-I132 VanDerWaalsContact O-CA 3.28Å; L104-I132 WeakPolarHBondContact O-CA 3.38Å; H105-I132 HydrophobicContact CB-CB 4.39Å; H105-I132 HydrophobicContact CB-CG1 3.99Å; H105-I132 HydrophobicContact CB-CG2 4.34Å; L107-I132 HydrophobicContact CD1-CD1 3.61Å; L107-I132 HydrophobicContact CD1-CG1 4Å; L107-I132 HydrophobicContact CG-CD1 4.36Å; L107-I132 HydrophobicContact CG-CG1 4.29Å; F123-I132 HydrophobicContact CE2-CD1 4.27Å; F123-I132 HydrophobicContact CZ-CD1 4.47Å |
| 133 | M | 97.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 122 | 173.9 | 173.7 | 179.1 | -83.6 | 0 | 0 | 108.1 | G15 I16 V103 L104 I135 F286 V288 V305 I307 | G15-M133 CarbonylContact O-C 3.59Å; G15-M133 WeakPolarHBondContact O-CA 3.43Å; I16-M133 HydrophobicContact CD1-CE 3.92Å; I16-M133 HydrophobicContact CG1-CE 3.84Å; I16-M133 HydrophobicContact CG1-CG 4.46Å; V103-M133 CarbonylContact C-O 3.49Å; V103-M133 WeakPolarHBondContact CA-O 3.32Å; L104-M133 HydrophobicContact CB-CB 4.41Å; L104-M133 PolarHBondContact N-O 2.86Å; L104-M133 PolarHBondContact O-N 2.85Å; M133-I135 HydrophobicContact CG-CD1 4.07Å; M133-I135 HydrophobicContact CG-CG1 3.97Å; M133-I135 HydrophobicContact SD-CD1 3.77Å; M133-I135 HydrophobicContact SD-CG1 4.27Å; M133-F286 HydrophobicContact CE-CD1 4.02Å; M133-F286 HydrophobicContact CE-CE1 3.64Å; M133-V288 HydrophobicContact CB-CG2 4.17Å; M133-V288 HydrophobicContact CE-CB 4.27Å; M133-V288 HydrophobicContact CE-CG2 3.37Å; M133-V288 HydrophobicContact SD-CB 4.27Å; M133-V288 HydrophobicContact SD-CG2 3.9Å; M133-V305 HydrophobicContact SD-CG1 4.37Å; M133-I307 HydrophobicContact CE-CD1 3.77Å; M133-I307 HydrophobicContact CE-CG1 4.11Å; M133-I307 HydrophobicContact SD-CD1 4.38Å |
| 134 | C | 96.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 133.8 | 171.2 | -170.9 | 0 | 0 | 0 | 0 | 108.7 | C3 W14 G15 F17 V101 W102 V103 | C3-C134 WeakPolarHBondContact CA-SG 3.21Å; C3-C134 HydrophobicContact CB-CB 3.65Å; C3-C134 WeakPolarHBondContact CB-SG 3.36Å; C3-C134 VanDerWaalsContact SG-CA 3.6Å; C3-C134 WeakPolarHBondContact SG-CB 3.42Å; C3-C134 CovalentContact SG-SG 2.04Å; C3-C134 PolarHBondContact SG-SG 2.75Å; W14-C134 CarbonylContact C-O 3.52Å; W14-C134 WeakPolarHBondContact CA-O 3.47Å; W14-C134 WeakPolarHBondContact CB-O 3.29Å; G15-C134 PolarHBondContact N-O 3.03Å; G15-C134 PolarHBondContact O-N 3.15Å; F17-C134 HydrophobicContact CE2-CB 4.11Å; V101-C134 WeakPolarHBondContact CG2-SG 3.37Å; W102-C134 CarbonylContact O-C 3.47Å; W102-C134 WeakPolarHBondContact O-CA 3.48Å; V103-C134 HydrophobicContact CG2-CB 4.39Å |
| 135 | I | 95.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 134.3 | 175.3 | -62.1 | 164.8 | 0 | 0 | 0 | 109.4 | C3 D13 W14 W102 M133 V137 F194 I203 V305 | C3-I135 VanDerWaalsContact SG-CA 3.59Å; C3-I135 PolarHBondContact SG-N 2.83Å; D13-I135 CarbonylContact O-C 3.58Å; W14-I135 HydrophobicContact CB-CG1 4.24Å; W102-I135 HydrophobicContact CE3-CD1 4.15Å; W102-I135 HydrophobicContact CZ3-CD1 4.38Å; W102-I135 PolarHBondContact N-O 2.98Å; W102-I135 PolarHBondContact O-N 2.88Å; M133-I135 HydrophobicContact CG-CD1 4.07Å; M133-I135 HydrophobicContact CG-CG1 3.97Å; M133-I135 HydrophobicContact SD-CD1 3.77Å; M133-I135 HydrophobicContact SD-CG1 4.27Å; I135-V137 HydrophobicContact CG2-CG2 4.25Å; I135-F194 HydrophobicContact CG2-CE2 4.12Å; I135-F194 HydrophobicContact CG2-CZ 4.11Å; I135-I203 HydrophobicContact CD1-CG2 4.05Å; I135-I203 HydrophobicContact CG2-CG1 4.31Å; I135-V305 HydrophobicContact CD1-CG1 3.74Å |
| 136 | I | 94.6 | Very high | 96.8 | Very high | 3 Ų | 3 | 27.6 Ų | 27.6 | 2% | 0.015 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 121.7 | 163.1 | -61.3 | -56.3 | 0 | 0 | 0 | 108.4 | C3 D13 D99 G100 V101 F198 | C3-I136 HydrophobicContact CB-CD1 4.22Å; C3-I136 HydrophobicContact CB-CG1 4.17Å; D13-I136 PolarHBondContact O-N 3.44Å; D99-I136 HydrophobicContact CB-CG2 3.94Å; G100-I136 CarbonylContact O-C 3.59Å; G100-I136 WeakPolarHBondContact O-CA 3.03Å; V101-I136 HydrophobicContact CB-CD1 4.15Å; V101-I136 HydrophobicContact CG2-CD1 4.34Å; I136-F198 HydrophobicContact CG2-CE2 4.44Å |
| 137 | V | 95.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 121.8 | -177.2 | -176.5 | 0 | 0 | 0 | 0 | 107.3 | D99 G100 W102 I135 A141 M142 L145 F194 | D99-V137 CarbonylContact C-O 3.51Å; D99-V137 WeakPolarHBondContact CA-O 3.47Å; D99-V137 WeakPolarHBondContact CB-O 3.47Å; G100-V137 PolarHBondContact N-O 3.05Å; G100-V137 PolarHBondContact O-N 2.87Å; W102-V137 HydrophobicContact CB-CG2 3.75Å; W102-V137 HydrophobicContact CE3-CG2 4.44Å; I135-V137 HydrophobicContact CG2-CG2 4.25Å; V137-A141 HydrophobicContact CG1-CB 3.93Å; V137-M142 HydrophobicContact CB-SD 3.62Å; V137-M142 HydrophobicContact CG1-CG 4.26Å; V137-M142 HydrophobicContact CG1-SD 3.47Å; V137-M142 WeakPolarHBondContact CG1-SD 3.39Å; V137-M142 HydrophobicContact CG2-SD 4.48Å; V137-L145 HydrophobicContact CB-CD2 4.46Å; V137-L145 HydrophobicContact CG1-CD2 3.99Å; V137-L145 HydrophobicContact CG2-CD2 3.86Å; V137-F194 HydrophobicContact CB-CZ 4.48Å; V137-F194 HydrophobicContact CG1-CE1 4.41Å; V137-F194 HydrophobicContact CG1-CE2 4.36Å; V137-F194 HydrophobicContact CG1-CZ 4.13Å; V137-F194 HydrophobicContact CG2-CE2 4.46Å; V137-F194 HydrophobicContact CG2-CZ 4.01Å |
| 138 | P | 95.6 | Very high | 96.9 | Very high | 5 Ų | 5 | 22.9 Ų | 22.9 | 3% | 0.032 | 12% | 0.115 | C | C | . | . | trans | -62.8 | 144.9 | 178.7 | 30.1 | -37 | 0 | 0 | 0 | 109.7 | D99 E140 A141 M142 F194 L195 | D99-P138 WeakPolarHBondContact OD1-CA 3.48Å; P138-E140 PolarHBondContact O-N 2.87Å; P138-E140 VanDerWaalsContact O-N 3.12Å; P138-A141 HydrophobicContact CG-CB 3.75Å; P138-A141 PolarHBondContact O-N 2.84Å; P138-M142 PolarHBondContact O-N 3.13Å; P138-F194 HydrophobicContact CG-CD2 4.07Å; P138-L195 WeakPolarHBondContact CG-O 3.1Å | ||
| 139 | Q | 94.5 | Very high | 96.9 | Very high | 96 Ų | 96 | 19.2 Ų | 19.2 | 45% | 0.449 | 10% | 0.098 | S | C | . | . | G | 310 helix | trans | -50.5 | -41.2 | -175.8 | -173.9 | 179.4 | 13.2 | 0 | 0 | 112.7 | D97 D99 A141 M142 | D97-Q139 PolarHBondContact O-NE2 2.82Å; D97-Q139 PolarHBondContact O-OE1 2.9Å; D99-Q139 PolarHBondContact OD1-N 2.97Å; Q139-A141 PolarHBondContact O-N 3.3Å; Q139-M142 WeakPolarHBondContact O-CB 3.39Å; Q139-M142 PolarHBondContact O-N 2.66Å |
| 140 | E | 95.1 | Very high | 96.9 | Very high | 150 Ų | 150 | 19.8 Ų | 19.8 | 70% | 0.701 | 10% | 0.102 | S | C | * | . | G | 310 helix | trans | -65.2 | -22.4 | 179.6 | 65.9 | -91.4 | -160.4 | 0 | 0 | 114.4 | P138 | P138-E140 PolarHBondContact O-N 2.87Å; P138-E140 VanDerWaalsContact O-N 3.12Å |
| 141 | A | 97.1 | Very high | 96.9 | Very high | 6 Ų | 6 | 20.8 Ų | 20.8 | 5% | 0.05 | 11% | 0.106 | C | C | . | . | G | 310 helix | trans | -88.6 | -15.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113 | V137 P138 Q139 S143 T144 L145 F194 | V137-A141 HydrophobicContact CG1-CB 3.93Å; P138-A141 HydrophobicContact CG-CB 3.75Å; P138-A141 PolarHBondContact O-N 2.84Å; Q139-A141 PolarHBondContact O-N 3.3Å; A141-S143 PolarHBondContact O-N 2.84Å; A141-T144 PolarHBondContact O-N 2.97Å; A141-T144 PolarHBondContact O-OG1 3.01Å; A141-L145 PolarHBondContact O-N 2.84Å; A141-F194 HydrophobicContact CB-CB 3.75Å; A141-F194 HydrophobicContact CB-CD1 4.01Å; A141-F194 HydrophobicContact CB-CD2 4.44Å; A141-F194 HydrophobicContact CB-CG 3.84Å |
| 142 | M | 96.5 | Very high | 96.9 | Very high | 7 Ų | 7 | 20.8 Ų | 20.8 | 3% | 0.034 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -56.4 | -48.9 | -172.6 | -72.9 | -59.8 | -61.3 | 0 | 0 | 113.2 | L93 W95 V137 P138 Q139 T144 L145 G146 F174 | L93-M142 HydrophobicContact CD2-CE 4.42Å; W95-M142 HydrophobicContact CB-CE 4.21Å; W95-M142 HydrophobicContact CD2-CE 3.33Å; W95-M142 HydrophobicContact CE3-CE 3.23Å; W95-M142 HydrophobicContact CG-CE 3.79Å; W95-M142 HydrophobicContact CH2-CE 3.87Å; W95-M142 HydrophobicContact CZ2-CE 4.03Å; W95-M142 HydrophobicContact CZ3-CE 3.53Å; V137-M142 HydrophobicContact CB-SD 3.62Å; V137-M142 HydrophobicContact CG1-CG 4.26Å; V137-M142 HydrophobicContact CG1-SD 3.47Å; V137-M142 WeakPolarHBondContact CG1-SD 3.39Å; V137-M142 HydrophobicContact CG2-SD 4.48Å; P138-M142 PolarHBondContact O-N 3.13Å; Q139-M142 WeakPolarHBondContact O-CB 3.39Å; Q139-M142 PolarHBondContact O-N 2.66Å; M142-T144 PolarHBondContact O-N 3.26Å; M142-L145 WeakPolarHBondContact O-CB 3.5Å; M142-L145 PolarHBondContact O-N 2.79Å; M142-L145 VanDerWaalsContact O-N 3.16Å; M142-G146 PolarHBondContact O-N 3.37Å; M142-F174 HydrophobicContact CB-CE2 4.38Å; M142-F174 HydrophobicContact CE-CZ 4.07Å; M142-F174 VanDerWaalsContact O-CE2 3.26Å; M142-F174 WeakPolarHBondContact O-CE2 3.43Å; M142-F174 WeakPolarHBondContact O-CZ 3.3Å |
| 143 | S | 96.9 | Very high | 96.8 | Very high | 38 Ų | 38 | 21.8 Ų | 21.8 | 27% | 0.266 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -58.8 | -46.3 | 179.5 | -174.7 | 0 | 0 | 0 | 0 | 112.1 | A141 L145 G146 E147 D171 H173 | A141-S143 PolarHBondContact O-N 2.84Å; S143-L145 VanDerWaalsContact C-N 3.3Å; S143-L145 PolarHBondContact O-N 3.36Å; S143-G146 PolarHBondContact O-N 3.26Å; S143-G146 VanDerWaalsContact O-N 3.13Å; S143-E147 PolarHBondContact O-N 2.86Å; S143-E147 VanDerWaalsContact O-N 3.14Å; S143-D171 WeakPolarHBondContact CB-OD2 3.32Å; S143-D171 PolarHBondContact OG-OD2 2.82Å; S143-H173 PolarHBondContact OG-CD2 2.99Å |
| 144 | T | 97.5 | Very high | 96.8 | Very high | 39 Ų | 39 | 22.2 Ų | 22.2 | 24% | 0.239 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -69.1 | -26.8 | 178.5 | 65.8 | 0 | 0 | 0 | 0 | 113.2 | A141 M142 E147 T148 Q192 | A141-T144 PolarHBondContact O-N 2.97Å; A141-T144 PolarHBondContact O-OG1 3.01Å; M142-T144 PolarHBondContact O-N 3.26Å; T144-E147 WeakPolarHBondContact O-CB 2.99Å; T144-E147 PolarHBondContact O-N 3.14Å; T144-T148 WeakPolarHBondContact O-CB 3.32Å; T144-T148 PolarHBondContact O-N 2.81Å; T144-T148 PolarHBondContact O-OG1 2.04Å; T144-Q192 VanDerWaalsContact CB-NE2 3.3Å; T144-Q192 PolarHBondContact OG1-NE2 3.34Å |
| 145 | L | 98 | Very high | 96.9 | Very high | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -66.8 | -41.7 | 170.6 | 176.9 | 59.1 | 0 | 0 | 0 | 110.9 | L93 W102 V137 A141 M142 S143 E147 T148 L149 L205 | L93-L145 HydrophobicContact CD2-CD2 3.63Å; W102-L145 HydrophobicContact CD2-CD1 4.31Å; W102-L145 HydrophobicContact CD2-CD2 4.08Å; W102-L145 HydrophobicContact CE3-CD1 4.03Å; W102-L145 HydrophobicContact CE3-CD2 4.06Å; W102-L145 HydrophobicContact CG-CD2 4.33Å; W102-L145 HydrophobicContact CH2-CD1 3.65Å; W102-L145 HydrophobicContact CZ2-CD1 3.94Å; W102-L145 HydrophobicContact CZ3-CD1 3.72Å; V137-L145 HydrophobicContact CB-CD2 4.46Å; V137-L145 HydrophobicContact CG1-CD2 3.99Å; V137-L145 HydrophobicContact CG2-CD2 3.86Å; A141-L145 PolarHBondContact O-N 2.84Å; M142-L145 WeakPolarHBondContact O-CB 3.5Å; M142-L145 PolarHBondContact O-N 2.79Å; M142-L145 VanDerWaalsContact O-N 3.16Å; S143-L145 VanDerWaalsContact C-N 3.3Å; S143-L145 PolarHBondContact O-N 3.36Å; L145-E147 VanDerWaalsContact C-N 3.27Å; L145-E147 PolarHBondContact O-N 2.91Å; L145-T148 PolarHBondContact O-N 2.95Å; L145-T148 VanDerWaalsContact O-N 3.16Å; L145-L149 HydrophobicContact CD1-CD1 4.49Å; L145-L149 HydrophobicContact CD1-CG 4.25Å; L145-L149 HydrophobicContact CG-CD1 4.37Å; L145-L149 WeakPolarHBondContact O-CB 3.08Å; L145-L149 WeakPolarHBondContact O-CG 3.33Å; L145-L149 PolarHBondContact O-N 2.82Å; L145-L205 HydrophobicContact CD1-CD2 3.47Å; L145-L205 VanDerWaalsContact CD1-CD2 3.47Å |
| 146 | G | 97.5 | Very high | 97 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -58.1 | -38.8 | 172 | 0 | 0 | 0 | 0 | 0 | 112.6 | M142 S143 T150 F174 | M142-G146 PolarHBondContact O-N 3.37Å; S143-G146 PolarHBondContact O-N 3.26Å; S143-G146 VanDerWaalsContact O-N 3.13Å; G146-T150 PolarHBondContact O-N 2.85Å; G146-T150 VanDerWaalsContact O-N 3.16Å; G146-T150 PolarHBondContact O-OG1 2.8Å; G146-F174 VanDerWaalsContact CA-CE1 3.45Å |
| 147 | E | 97.4 | Very high | 97.1 | Very high | 57 Ų | 57 | 30.2 Ų | 30.2 | 27% | 0.266 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -62.7 | -51.5 | 172.3 | -170.6 | 170.4 | -159.1 | 0 | 0 | 111.1 | S143 T144 L145 L149 T150 Y151 H173 | S143-E147 PolarHBondContact O-N 2.86Å; S143-E147 VanDerWaalsContact O-N 3.14Å; T144-E147 WeakPolarHBondContact O-CB 2.99Å; T144-E147 PolarHBondContact O-N 3.14Å; L145-E147 VanDerWaalsContact C-N 3.27Å; L145-E147 PolarHBondContact O-N 2.91Å; E147-L149 VanDerWaalsContact C-N 3.27Å; E147-L149 PolarHBondContact O-N 3.37Å; E147-T150 VanDerWaalsContact O-CB 3.23Å; E147-T150 WeakPolarHBondContact O-CB 3.43Å; E147-T150 PolarHBondContact O-N 2.91Å; E147-Y151 HydrophobicContact CG-CE2 4.26Å; E147-Y151 WeakPolarHBondContact O-CD2 3.27Å; E147-H173 HydrophobicContact CB-CB 4.23Å; E147-H173 WeakPolarHBondContact CB-ND1 3.23Å; E147-H173 IonicContact OE1-CE1 3.53Å; E147-H173 IonicContact OE2-CE1 2.72Å; E147-H173 PolarHBondContact OE2-CE1 3.32Å; E147-H173 IonicContact OE2-ND1 2.6Å |
| 148 | T | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59 | -37.5 | -178.1 | -60.1 | 0 | 0 | 0 | 0 | 112.6 | T144 L145 Y151 H190 Q192 L205 S207 | T144-T148 WeakPolarHBondContact O-CB 3.32Å; T144-T148 PolarHBondContact O-N 2.81Å; T144-T148 PolarHBondContact O-OG1 2.04Å; L145-T148 PolarHBondContact O-N 2.95Å; L145-T148 VanDerWaalsContact O-N 3.16Å; T148-Y151 PolarHBondContact O-N 2.59Å; T148-H190 PolarHBondContact OG1-CD2 2.73Å; T148-Q192 WeakPolarHBondContact OG1-CB 3.37Å; T148-L205 HydrophobicContact CG2-CB 3.77Å; T148-L205 HydrophobicContact CG2-CD2 3.65Å; T148-L205 HydrophobicContact CG2-CG 4.39Å; T148-S207 WeakPolarHBondContact CG2-OG 3.49Å; T148-S207 WeakPolarHBondContact O-CB 3.06Å; T148-S207 PolarHBondContact O-OG 3.29Å |
| 149 | L | 98 | Very high | 97.4 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -70.3 | -31.3 | 175.4 | -75.1 | 178.2 | 0 | 0 | 0 | 112.5 | Y72 L93 W102 L145 E147 Y151 Q152 E153 P154 L177 | Y72-L149 HydrophobicContact CE1-CD1 4.29Å; L93-L149 HydrophobicContact CD1-CD1 3.45Å; L93-L149 VanDerWaalsContact CD1-CD1 3.45Å; L93-L149 HydrophobicContact CG-CD1 4.46Å; W102-L149 HydrophobicContact CZ2-CD2 3.89Å; L145-L149 HydrophobicContact CD1-CD1 4.49Å; L145-L149 HydrophobicContact CD1-CG 4.25Å; L145-L149 HydrophobicContact CG-CD1 4.37Å; L145-L149 WeakPolarHBondContact O-CB 3.08Å; L145-L149 WeakPolarHBondContact O-CG 3.33Å; L145-L149 PolarHBondContact O-N 2.82Å; E147-L149 VanDerWaalsContact C-N 3.27Å; E147-L149 PolarHBondContact O-N 3.37Å; L149-Y151 PolarHBondContact O-N 3.01Å; L149-Q152 CarbonylContact O-C 3.53Å; L149-Q152 WeakPolarHBondContact O-CA 3.09Å; L149-Q152 WeakPolarHBondContact O-CB 3.16Å; L149-Q152 PolarHBondContact O-N 2.87Å; L149-E153 PolarHBondContact O-N 3.32Å; L149-P154 WeakPolarHBondContact O-CD 3.18Å; L149-L177 HydrophobicContact CB-CD1 3.98Å; L149-L177 HydrophobicContact CB-CD2 3.81Å; L149-L177 HydrophobicContact CD1-CD2 4.02Å |
| 150 | T | 97.6 | Very high | 97.5 | Very high | 12 Ų | 12 | 35.7 Ų | 35.7 | 7% | 0.074 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.3 | -35.2 | 175 | -57.6 | 0 | 0 | 0 | 0 | 111.3 | G146 E147 Q152 E153 | G146-T150 PolarHBondContact O-N 2.85Å; G146-T150 VanDerWaalsContact O-N 3.16Å; G146-T150 PolarHBondContact O-OG1 2.8Å; E147-T150 VanDerWaalsContact O-CB 3.23Å; E147-T150 WeakPolarHBondContact O-CB 3.43Å; E147-T150 PolarHBondContact O-N 2.91Å; T150-Q152 VanDerWaalsContact C-N 3.31Å; T150-Q152 PolarHBondContact O-N 3.43Å; T150-E153 PolarHBondContact O-N 2.89Å; T150-E153 VanDerWaalsContact O-N 3.15Å |
| 151 | Y | 98.1 | Very high | 97.6 | Very high | 22 Ų | 22 | 29.8 Ų | 29.8 | 9% | 0.086 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -67.7 | -29.8 | 173.2 | -75.2 | -106.6 | 0 | 0 | 0 | 112.5 | E147 T148 L149 E153 L183 P187 H190 K208 S209 | E147-Y151 HydrophobicContact CG-CE2 4.26Å; E147-Y151 WeakPolarHBondContact O-CD2 3.27Å; T148-Y151 PolarHBondContact O-N 2.59Å; L149-Y151 PolarHBondContact O-N 3.01Å; Y151-E153 PolarHBondContact O-N 3.42Å; Y151-L183 HydrophobicContact CD1-CD1 3.32Å; Y151-L183 HydrophobicContact CD2-CD1 4.28Å; Y151-L183 HydrophobicContact CE1-CD1 3.27Å; Y151-L183 HydrophobicContact CE2-CD1 4.24Å; Y151-L183 HydrophobicContact CE2-CD2 4.4Å; Y151-L183 HydrophobicContact CG-CD1 3.84Å; Y151-P187 WeakPolarHBondContact CE1-O 3.49Å; Y151-H190 HydrophobicContact CD1-CB 3.55Å; Y151-H190 HydrophobicContact CD2-CB 3.59Å; Y151-H190 AromaticContact CD2-CG 3.97Å; Y151-H190 HydrophobicContact CE1-CB 3.63Å; Y151-H190 HydrophobicContact CE2-CB 3.68Å; Y151-H190 AromaticContact CE2-CG 3.77Å; Y151-H190 AromaticContact CE2-ND1 3.86Å; Y151-H190 HydrophobicContact CG-CB 3.55Å; Y151-H190 AromaticContact CZ-ND1 3.92Å; Y151-K208 CarbonylContact O-C 3.54Å; Y151-S209 WeakPolarHBondContact O-CA 2.99Å; Y151-S209 PolarHBondContact O-N 3.45Å; Y151-S209 VanDerWaalsContact O-N 3.11Å |
| 152 | Q | 97.9 | Very high | 97.6 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -78.2 | -8.5 | 175.6 | -54.6 | -174.3 | 15.8 | 0 | 0 | 112.2 | S87 L149 T150 P154 S207 S301 | S87-Q152 VanDerWaalsContact CB-O 3.27Å; S87-Q152 WeakPolarHBondContact CB-O 3.04Å; S87-Q152 PolarHBondContact OG-O 3.11Å; L149-Q152 CarbonylContact O-C 3.53Å; L149-Q152 WeakPolarHBondContact O-CA 3.09Å; L149-Q152 WeakPolarHBondContact O-CB 3.16Å; L149-Q152 PolarHBondContact O-N 2.87Å; T150-Q152 VanDerWaalsContact C-N 3.31Å; T150-Q152 PolarHBondContact O-N 3.43Å; Q152-P154 VanDerWaalsContact C-CD 3.45Å; Q152-P154 VanDerWaalsContact C-N 3.33Å; Q152-S207 VanDerWaalsContact CG-OG 3.23Å; Q152-S207 WeakPolarHBondContact CG-OG 3.19Å; Q152-S207 PolarHBondContact NE2-OG 3.32Å; Q152-S301 WeakPolarHBondContact O-CB 3.22Å; Q152-S301 PolarHBondContact O-OG 3.21Å |
| 153 | E | 97.3 | Very high | 97.6 | Very high | 21 Ų | 21 | 34.6 Ų | 34.6 | 10% | 0.098 | 17% | 0.168 | C | C | . | . | trans | 45.3 | 47 | 178.5 | -56.5 | -179.8 | -156 | 0 | 0 | 114.5 | S87 L149 T150 Y151 K182 S209 R210 | S87-E153 WeakPolarHBondContact CB-O 3.43Å; L149-E153 PolarHBondContact O-N 3.32Å; T150-E153 PolarHBondContact O-N 2.89Å; T150-E153 VanDerWaalsContact O-N 3.15Å; Y151-E153 PolarHBondContact O-N 3.42Å; E153-K182 HydrophobicContact CB-CD 4.42Å; E153-K182 HydrophobicContact CG-CD 3.99Å; E153-K182 WeakPolarHBondContact OE2-CD 3.19Å; E153-K182 WeakPolarHBondContact OE2-CE 3.4Å; E153-K182 IonicContact OE2-NZ 2.68Å; E153-K182 PolarHBondContact OE2-NZ 3.06Å; E153-S209 VanDerWaalsContact OE1-CB 3.3Å; E153-S209 WeakPolarHBondContact OE1-CB 2.92Å; E153-R210 WeakPolarHBondContact OE1-CB 3.32Å; E153-R210 PolarHBondContact OE1-N 3.1Å | ||
| 154 | P | 97.7 | Very high | 97.5 | Very high | 8 Ų | 8 | 41.9 Ų | 41.9 | 5% | 0.052 | 20% | 0.195 | C | C | . | . | trans | -67.5 | 155.3 | -174.1 | 33.1 | -39.1 | 0 | 0 | 0 | 111.9 | Y72 L149 Q152 V156 L177 | Y72-P154 HydrophobicContact CD2-CB 3.42Å; Y72-P154 VanDerWaalsContact CD2-CB 3.42Å; Y72-P154 HydrophobicContact CD2-CG 4.25Å; Y72-P154 HydrophobicContact CE2-CB 4.11Å; Y72-P154 HydrophobicContact CG-CB 3.71Å; Y72-P154 HydrophobicContact CG-CG 4.22Å; L149-P154 WeakPolarHBondContact O-CD 3.18Å; Q152-P154 VanDerWaalsContact C-CD 3.45Å; Q152-P154 VanDerWaalsContact C-N 3.33Å; P154-V156 PolarHBondContact O-N 3.37Å; P154-L177 HydrophobicContact CG-CD1 3.6Å | ||
| 155 | M | 97.4 | Very high | 97.2 | Very high | 67 Ų | 67 | 41 Ų | 41 | 33% | 0.33 | 19% | 0.191 | S | C | . | . | trans | -85.6 | 95.1 | 174.9 | -70.9 | -63.8 | -61.6 | 0 | 0 | 110.1 | Y72 S73 N74 E86 Y157 | Y72-M155 CarbonylContact C-O 3.19Å; Y72-M155 WeakPolarHBondContact CA-O 3.33Å; Y72-M155 WeakPolarHBondContact CB-O 3.36Å; S73-M155 PolarHBondContact N-O 3.27Å; N74-M155 HydrophobicContact CB-CG 4.45Å; E86-M155 HydrophobicContact CB-CG 3.95Å; E86-M155 HydrophobicContact CB-SD 4.36Å; E86-M155 HydrophobicContact CG-CG 4.31Å; E86-M155 HydrophobicContact CG-SD 4.17Å; M155-Y157 PolarHBondContact O-N 3.36Å | ||
| 156 | V | 97.9 | Very high | 97 | Very high | 37 Ų | 37 | 44 Ų | 44 | 22% | 0.224 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 119 | 175.9 | 179.6 | 0 | 0 | 0 | 0 | 109.4 | I70 P154 W159 | I70-V156 HydrophobicContact CG2-CG1 4.01Å; I70-V156 HydrophobicContact CG2-CG2 3.97Å; P154-V156 PolarHBondContact O-N 3.37Å; V156-W159 HydrophobicContact CG1-CB 4.21Å |
| 157 | Y | 97.8 | Very high | 96.8 | Very high | 67 Ų | 67 | 46.6 Ų | 46.6 | 26% | 0.263 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | -16 | 177.5 | 71.2 | -92.5 | 0 | 0 | 0 | 112.8 | A71 A76 P77 P111 M113 M155 | A71-Y157 VanDerWaalsContact C-CE1 3.43Å; A71-Y157 HydrophobicContact CB-CD1 4.42Å; A71-Y157 HydrophobicContact CB-CE1 3.62Å; A71-Y157 HydrophobicContact CB-CE2 4.05Å; A71-Y157 WeakPolarHBondContact CB-OH 3.32Å; A71-Y157 WeakPolarHBondContact O-CD1 3.49Å; A71-Y157 PolarHBondContact O-N 3.38Å; A76-Y157 HydrophobicContact CB-CD1 3.82Å; A76-Y157 HydrophobicContact CB-CD2 4.16Å; A76-Y157 HydrophobicContact CB-CE1 4.45Å; A76-Y157 HydrophobicContact CB-CG 3.65Å; P77-Y157 HydrophobicContact CG-CE2 4.19Å; P111-Y157 VanDerWaalsContact CD-OH 3.23Å; P111-Y157 WeakPolarHBondContact CD-OH 3.49Å; P111-Y157 PolarHBondContact O-OH 3.16Å; M113-Y157 HydrophobicContact CB-CE2 4.2Å; M113-Y157 HydrophobicContact CG-CE2 3.71Å; M155-Y157 PolarHBondContact O-N 3.36Å |
| 158 | F | 98.3 | Very high | 96.6 | Very high | 41 Ų | 41 | 43.9 Ų | 43.9 | 18% | 0.18 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 137 | 175.4 | 179 | -88.3 | 0 | 0 | 0 | 109.3 | K64 I69 A71 M113 K160 | K64-F158 HydrophobicContact CD-CE1 4.34Å; K64-F158 HydrophobicContact CD-CZ 3.82Å; I69-F158 HydrophobicContact CB-CE1 4.11Å; I69-F158 HydrophobicContact CG2-CD1 3.96Å; I69-F158 HydrophobicContact CG2-CE1 3.83Å; A71-F158 HydrophobicContact CB-CB 4.21Å; A71-F158 PolarHBondContact N-O 2.85Å; A71-F158 PolarHBondContact O-N 2.72Å; M113-F158 HydrophobicContact CB-CB 3.79Å; M113-F158 HydrophobicContact CB-CD1 3.82Å; M113-F158 HydrophobicContact CB-CD2 3.55Å; M113-F158 HydrophobicContact CB-CE1 4.3Å; M113-F158 HydrophobicContact CB-CE2 4.05Å; M113-F158 HydrophobicContact CB-CG 3.42Å; M113-F158 VanDerWaalsContact CB-CG 3.42Å; M113-F158 HydrophobicContact CB-CZ 4.41Å; M113-F158 HydrophobicContact CE-CD1 3.74Å; M113-F158 HydrophobicContact CE-CE1 3.68Å; M113-F158 HydrophobicContact CE-CG 4.5Å; M113-F158 HydrophobicContact CE-CZ 4.37Å; M113-F158 HydrophobicContact CG-CB 3.83Å; M113-F158 HydrophobicContact CG-CD1 3.88Å; M113-F158 HydrophobicContact CG-CD2 4.42Å; M113-F158 HydrophobicContact CG-CG 3.79Å; F158-K160 HydrophobicContact CE1-CB 4.03Å; F158-K160 HydrophobicContact CZ-CB 4.05Å; F158-K160 HydrophobicContact CZ-CD 4.49Å |
| 159 | W | 97.9 | Very high | 96.3 | Very high | 124 Ų | 124 | 46.8 Ų | 46.8 | 47% | 0.47 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 154.1 | 166 | 70.2 | -84.2 | 0 | 0 | 0 | 110.2 | I69 I70 V156 L168 I178 | I69-W159 CarbonylContact O-C 3.59Å; I69-W159 WeakPolarHBondContact O-CA 3.49Å; I70-W159 HydrophobicContact CG1-CB 4.28Å; V156-W159 HydrophobicContact CG1-CB 4.21Å; W159-L168 HydrophobicContact CB-CD1 4.48Å; W159-L168 HydrophobicContact CE3-CD1 4.08Å; W159-I178 HydrophobicContact CB-CD1 4.23Å; W159-I178 HydrophobicContact CB-CG1 4.26Å; W159-I178 HydrophobicContact CD2-CD1 4.04Å; W159-I178 HydrophobicContact CD2-CG1 4.49Å; W159-I178 HydrophobicContact CD2-CG2 3.8Å; W159-I178 HydrophobicContact CE3-CD1 3.92Å; W159-I178 HydrophobicContact CG-CD1 4.19Å; W159-I178 HydrophobicContact CG-CG1 4.23Å; W159-I178 HydrophobicContact CG-CG2 3.8Å; W159-I178 HydrophobicContact CZ2-CG2 4.3Å |
| 160 | K | 97.5 | Very high | 96 | Very high | 52 Ų | 52 | 50 Ų | 50 | 23% | 0.226 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 129.5 | 177.3 | -179.2 | 171.5 | 167.2 | 72 | 0 | 110.4 | K64 D65 N68 I69 F158 L168 | K64-K160 VanDerWaalsContact C-CE 3.48Å; K64-K160 HydrophobicContact CB-CD 4.01Å; K64-K160 VanDerWaalsContact O-CE 3.27Å; K64-K160 WeakPolarHBondContact O-CE 3.24Å; D65-K160 VanDerWaalsContact CA-CE 3.46Å; D65-K160 WeakPolarHBondContact OD1-CE 3.5Å; D65-K160 IonicContact OD1-NZ 2.67Å; D65-K160 PolarHBondContact OD1-NZ 3.4Å; N68-K160 CarbonylContact C-O 3.49Å; N68-K160 WeakPolarHBondContact CA-O 3.47Å; I69-K160 PolarHBondContact N-O 2.73Å; I69-K160 PolarHBondContact O-N 3.06Å; F158-K160 HydrophobicContact CE1-CB 4.03Å; F158-K160 HydrophobicContact CZ-CB 4.05Å; F158-K160 HydrophobicContact CZ-CD 4.49Å; K160-L168 WeakPolarHBondContact O-CD1 3.43Å |
| 161 | D | 97.3 | Very high | 95.9 | Very high | 25 Ų | 25 | 51 Ų | 51 | 13% | 0.134 | 27% | 0.27 | C | S | . | . | trans | -74.4 | 147.9 | 167 | -89.4 | -49.7 | 0 | 0 | 0 | 110.9 | N68 P166 L167 L168 S169 | N68-D161 PolarHBondContact OD1-OD1 3.12Å; D161-P166 HydrophobicContact CB-CB 3.7Å; D161-P166 VanDerWaalsContact OD1-CA 3.25Å; D161-P166 WeakPolarHBondContact OD1-CA 3.26Å; D161-L167 PolarHBondContact OD1-N 3.06Å; D161-L168 WeakPolarHBondContact OD1-CA 3.41Å; D161-L168 WeakPolarHBondContact OD1-CB 3.06Å; D161-L168 WeakPolarHBondContact OD1-CG 3.47Å; D161-L168 PolarHBondContact OD1-N 3.14Å; D161-S169 PolarHBondContact OD1-N 3.13Å; D161-S169 WeakPolarHBondContact OD2-CB 3.37Å; D161-S169 PolarHBondContact OD2-N 2.88Å; D161-S169 PolarHBondContact OD2-OG 2.98Å | ||
| 162 | A | 96.8 | Very high | 95.8 | Very high | 3 Ų | 3 | 56.4 Ų | 56.4 | 3% | 0.025 | 29% | 0.294 | C | S | . | . | trans | -67.2 | 136.6 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | N66 K67 N68 K164 S165 | N66-A162 VanDerWaalsContact C-CB 3.44Å; N66-A162 WeakPolarHBondContact O-CB 3.43Å; K67-A162 PolarHBondContact O-N 3.21Å; N68-A162 PolarHBondContact OD1-N 3.43Å; A162-K164 PolarHBondContact O-N 3.41Å; A162-S165 WeakPolarHBondContact CB-O 3.31Å; A162-S165 CarbonylContact O-C 3.42Å; A162-S165 PolarHBondContact O-N 3.4Å | ||
| 163 | N | 96.2 | Very high | 95.8 | Very high | 111 Ų | 111 | 57.2 Ų | 57.2 | 59% | 0.594 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -60.4 | -33.3 | -177.2 | -69.4 | -6.2 | 0 | 0 | 0 | 112.7 | D65 | D65-N163 WeakPolarHBondContact O-CB 3.29Å; D65-N163 PolarHBondContact O-N 3.07Å |
| 164 | K | 94.4 | Very high | 95.8 | Very high | 191 Ų | 191 | 56.3 Ų | 56.3 | 83% | 0.83 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -91.7 | -24.5 | -178.9 | -67.3 | -174.5 | 179.3 | 179.3 | 0 | 113.8 | A162 | A162-K164 PolarHBondContact O-N 3.41Š|
| 165 | S | 92.9 | Very high | 95.7 | Very high | 20 Ų | 20 | 60.2 Ų | 60.2 | 14% | 0.14 | 31% | 0.311 | C | S | . | . | trans | -146.3 | 82.7 | -175.4 | -171.1 | 0 | 0 | 0 | 0 | 110.6 | N68 D97 A162 L167 | N68-S165 PolarHBondContact ND2-O 3.24Å; N68-S165 PolarHBondContact OD1-O 3.27Å; D97-S165 WeakPolarHBondContact OD1-CB 3.15Å; D97-S165 PolarHBondContact OD1-OG 2.81Å; A162-S165 WeakPolarHBondContact CB-O 3.31Å; A162-S165 CarbonylContact O-C 3.42Å; A162-S165 PolarHBondContact O-N 3.4Å; S165-L167 PolarHBondContact O-N 3.38Å | ||
| 166 | P | 92.3 | Very high | 95.6 | Very high | 65 Ų | 65 | 62.2 Ų | 62.2 | 42% | 0.422 | 32% | 0.315 | S | S | . | . | trans | -77.6 | 81.9 | -175.8 | 32.1 | -35.9 | 0 | 0 | 0 | 111.3 | D161 G170 | D161-P166 HydrophobicContact CB-CB 3.7Å; D161-P166 VanDerWaalsContact OD1-CA 3.25Å; D161-P166 WeakPolarHBondContact OD1-CA 3.26Å; P166-G170 PolarHBondContact O-N 3.16Å | ||
| 167 | L | 93.5 | Very high | 95.6 | Very high | 55 Ų | 55 | 60.7 Ų | 60.7 | 29% | 0.288 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -84.6 | -14.6 | -173.8 | -61.2 | 177.4 | 0 | 0 | 0 | 113.5 | N68 W95 E96 D161 S165 D171 | N68-L167 PolarHBondContact OD1-N 3.46Å; W95-L167 HydrophobicContact CZ2-CB 4.37Å; W95-L167 VanDerWaalsContact NE1-CD1 3.32Å; E96-L167 VanDerWaalsContact O-CD1 3.24Å; E96-L167 WeakPolarHBondContact O-CD1 3.49Å; D161-L167 PolarHBondContact OD1-N 3.06Å; S165-L167 PolarHBondContact O-N 3.38Å; L167-D171 WeakPolarHBondContact O-CB 3.05Å; L167-D171 PolarHBondContact O-N 3.24Å |
| 168 | L | 94.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -76.7 | -50.6 | 176.9 | -55.6 | 180 | 0 | 0 | 0 | 111.4 | N68 I69 I70 W95 W159 K160 D161 F174 H175 I178 | N68-L168 HydrophobicContact CB-CD2 4.12Å; N68-L168 HydrophobicContact CB-CG 3.99Å; I69-L168 VanDerWaalsContact O-CD1 3.32Å; I69-L168 WeakPolarHBondContact O-CD1 3.45Å; I70-L168 HydrophobicContact CD1-CD2 3.75Å; I70-L168 HydrophobicContact CG1-CD1 3.93Å; I70-L168 HydrophobicContact CG1-CD2 3.83Å; W95-L168 HydrophobicContact CH2-CD2 2.99Å; W95-L168 HydrophobicContact CH2-CG 4.35Å; W95-L168 HydrophobicContact CZ2-CD2 3.42Å; W95-L168 VanDerWaalsContact CZ2-CD2 3.42Å; W95-L168 HydrophobicContact CZ3-CD2 3.7Å; W159-L168 HydrophobicContact CB-CD1 4.48Å; W159-L168 HydrophobicContact CE3-CD1 4.08Å; K160-L168 WeakPolarHBondContact O-CD1 3.43Å; D161-L168 WeakPolarHBondContact OD1-CA 3.41Å; D161-L168 WeakPolarHBondContact OD1-CB 3.06Å; D161-L168 WeakPolarHBondContact OD1-CG 3.47Å; D161-L168 PolarHBondContact OD1-N 3.14Å; L168-F174 HydrophobicContact CB-CB 4.48Å; L168-F174 HydrophobicContact CD2-CB 4.26Å; L168-F174 HydrophobicContact CD2-CD1 4.43Å; L168-F174 HydrophobicContact CD2-CG 4.19Å; L168-F174 WeakPolarHBondContact O-CB 3.3Å; L168-H175 PolarHBondContact O-N 3.21Å; L168-I178 HydrophobicContact CB-CD1 3.72Å; L168-I178 HydrophobicContact CD1-CD1 4.03Å; L168-I178 HydrophobicContact CG-CD1 4.35Å |
| 169 | S | 90.2 | Very high | 95.5 | Very high | 60 Ų | 60 | 62.9 Ų | 62.9 | 42% | 0.42 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -74.1 | -30 | -179.4 | 51 | 0 | 0 | 0 | 0 | 112.5 | D161 | D161-S169 PolarHBondContact OD1-N 3.13Å; D161-S169 WeakPolarHBondContact OD2-CB 3.37Å; D161-S169 PolarHBondContact OD2-N 2.88Å; D161-S169 PolarHBondContact OD2-OG 2.98Å |
| 170 | G | 91.8 | Very high | 95.4 | Very high | 69 Ų | 69 | 58.7 Ų | 58.7 | 71% | 0.711 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -73.8 | -25 | 175 | 0 | 0 | 0 | 0 | 0 | 114.4 | P166 | P166-G170 PolarHBondContact O-N 3.16Å |
| 171 | D | 96.2 | Very high | 95.2 | Very high | 32 Ų | 32 | 61 Ų | 61 | 17% | 0.171 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -92.8 | 123.2 | 178.8 | -177.8 | -79.3 | 0 | 0 | 0 | 111.6 | S143 L167 H173 F174 H175 | S143-D171 WeakPolarHBondContact CB-OD2 3.32Å; S143-D171 PolarHBondContact OG-OD2 2.82Å; L167-D171 WeakPolarHBondContact O-CB 3.05Å; L167-D171 PolarHBondContact O-N 3.24Å; D171-H173 VanDerWaalsContact C-N 3.25Å; D171-H173 PolarHBondContact O-N 2.91Å; D171-H173 VanDerWaalsContact OD1-CA 3.3Å; D171-H173 WeakPolarHBondContact OD1-CA 3.44Å; D171-H173 VanDerWaalsContact OD1-CB 3.28Å; D171-H173 WeakPolarHBondContact OD1-CB 3.49Å; D171-H173 PolarHBondContact OD1-N 2.91Å; D171-F174 HydrophobicContact CB-CB 4.27Å; D171-F174 HydrophobicContact CB-CD2 3.88Å; D171-F174 PolarHBondContact O-N 3.33Å; D171-F174 PolarHBondContact OD1-N 2.81Å; D171-H175 VanDerWaalsContact O-CB 3.31Å; D171-H175 WeakPolarHBondContact O-CB 3.26Å; D171-H175 PolarHBondContact O-N 3.28Å |
| 172 | K | 96.5 | Very high | 95.1 | Very high | 135 Ų | 135 | 64.6 Ų | 64.6 | 59% | 0.587 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -60.4 | -31.5 | -177.8 | 71.8 | -173.8 | -178.8 | -173.5 | 0 | 113.4 | R176 | K172-R176 WeakPolarHBondContact O-CD 3.12Å; K172-R176 WeakPolarHBondContact O-CG 3.36Å; K172-R176 PolarHBondContact O-N 3.29Å |
| 173 | H | 97.1 | Very high | 95 | Very high | 18 Ų | 18 | 66 Ų | 66 | 8% | 0.083 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -78.8 | -43.7 | -177.8 | -63.5 | -77.2 | 0 | 0 | 0 | 110.8 | S143 E147 D171 R176 L177 | S143-H173 PolarHBondContact OG-CD2 2.99Å; E147-H173 HydrophobicContact CB-CB 4.23Å; E147-H173 WeakPolarHBondContact CB-ND1 3.23Å; E147-H173 IonicContact OE1-CE1 3.53Å; E147-H173 IonicContact OE2-CE1 2.72Å; E147-H173 PolarHBondContact OE2-CE1 3.32Å; E147-H173 IonicContact OE2-ND1 2.6Å; D171-H173 VanDerWaalsContact C-N 3.25Å; D171-H173 PolarHBondContact O-N 2.91Å; D171-H173 VanDerWaalsContact OD1-CA 3.3Å; D171-H173 WeakPolarHBondContact OD1-CA 3.44Å; D171-H173 VanDerWaalsContact OD1-CB 3.28Å; D171-H173 WeakPolarHBondContact OD1-CB 3.49Å; D171-H173 PolarHBondContact OD1-N 2.91Å; H173-R176 PolarHBondContact O-N 3.37Å; H173-L177 PolarHBondContact O-N 2.75Å |
| 174 | F | 97.7 | Very high | 94.7 | Very high | 2 Ų | 2 | 63.5 Ų | 63.5 | 1% | 0.009 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -66.2 | -38.9 | 173.7 | -74.1 | -59.6 | 0 | 0 | 0 | 112.7 | I70 L93 W95 M142 G146 L168 D171 R176 L177 I178 | I70-F174 HydrophobicContact CD1-CD1 3.55Å; I70-F174 HydrophobicContact CD1-CE1 4.17Å; I70-F174 HydrophobicContact CD1-CG 4.37Å; L93-F174 HydrophobicContact CD1-CE1 3.94Å; W95-F174 AromaticContact CH2-CD1 3.88Å; W95-F174 HydrophobicContact CH2-CD1 3.88Å; W95-F174 AromaticContact CH2-CD2 3.72Å; W95-F174 HydrophobicContact CH2-CD2 3.72Å; W95-F174 AromaticContact CH2-CE1 3.58Å; W95-F174 HydrophobicContact CH2-CE1 3.58Å; W95-F174 AromaticContact CH2-CE2 3.4Å; W95-F174 HydrophobicContact CH2-CE2 3.4Å; W95-F174 VanDerWaalsContact CH2-CE2 3.4Å; W95-F174 AromaticContact CH2-CG 3.95Å; W95-F174 HydrophobicContact CH2-CG 3.95Å; W95-F174 AromaticContact CH2-CZ 3.32Å; W95-F174 HydrophobicContact CH2-CZ 3.32Å; W95-F174 AromaticContact CZ2-CD2 3.67Å; W95-F174 HydrophobicContact CZ2-CD2 3.67Å; W95-F174 HydrophobicContact CZ2-CE1 4.42Å; W95-F174 AromaticContact CZ2-CE2 3.39Å; W95-F174 HydrophobicContact CZ2-CE2 3.39Å; W95-F174 HydrophobicContact CZ2-CG 4.3Å; W95-F174 AromaticContact CZ2-CZ 3.81Å; W95-F174 HydrophobicContact CZ2-CZ 3.81Å; W95-F174 HydrophobicContact CZ3-CE1 4.26Å; W95-F174 HydrophobicContact CZ3-CZ 4.1Å; M142-F174 HydrophobicContact CB-CE2 4.38Å; M142-F174 HydrophobicContact CE-CZ 4.07Å; M142-F174 VanDerWaalsContact O-CE2 3.26Å; M142-F174 WeakPolarHBondContact O-CE2 3.43Å; M142-F174 WeakPolarHBondContact O-CZ 3.3Å; G146-F174 VanDerWaalsContact CA-CE1 3.45Å; L168-F174 HydrophobicContact CB-CB 4.48Å; L168-F174 HydrophobicContact CD2-CB 4.26Å; L168-F174 HydrophobicContact CD2-CD1 4.43Å; L168-F174 HydrophobicContact CD2-CG 4.19Å; L168-F174 WeakPolarHBondContact O-CB 3.3Å; D171-F174 HydrophobicContact CB-CB 4.27Å; D171-F174 HydrophobicContact CB-CD2 3.88Å; D171-F174 PolarHBondContact O-N 3.33Å; D171-F174 PolarHBondContact OD1-N 2.81Å; F174-R176 VanDerWaalsContact C-N 3.31Å; F174-R176 PolarHBondContact O-N 3.04Å; F174-L177 HydrophobicContact CD1-CD2 4.15Å; F174-L177 HydrophobicContact CE1-CD2 4.49Å; F174-L177 WeakPolarHBondContact O-CB 3.42Å; F174-L177 PolarHBondContact O-N 2.52Å; F174-I178 WeakPolarHBondContact O-CG1 3.42Å; F174-I178 PolarHBondContact O-N 3.35Å |
| 175 | H | 95.9 | Very high | 94.7 | Very high | 90 Ų | 90 | 63.7 Ų | 63.7 | 42% | 0.417 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -56.9 | -46.2 | 173.2 | -173.3 | 79.3 | 0 | 0 | 0 | 111.5 | L168 D171 L177 I178 Q179 | L168-H175 PolarHBondContact O-N 3.21Å; D171-H175 VanDerWaalsContact O-CB 3.31Å; D171-H175 WeakPolarHBondContact O-CB 3.26Å; D171-H175 PolarHBondContact O-N 3.28Å; H175-L177 PolarHBondContact O-N 2.86Å; H175-I178 PolarHBondContact O-N 2.85Å; H175-Q179 WeakPolarHBondContact O-CB 3.24Å; H175-Q179 VanDerWaalsContact O-CG 3.24Å; H175-Q179 WeakPolarHBondContact O-CG 3.28Å; H175-Q179 PolarHBondContact O-N 2.98Å |
| 176 | R | 96 | Very high | 94.8 | Very high | 110 Ų | 110 | 67.1 Ų | 67.1 | 42% | 0.415 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.4 | -40.4 | 176.6 | -70.9 | 173.6 | 177.1 | 177 | -0.3 | 112.9 | K172 H173 F174 Q179 G180 Q181 | K172-R176 WeakPolarHBondContact O-CD 3.12Å; K172-R176 WeakPolarHBondContact O-CG 3.36Å; K172-R176 PolarHBondContact O-N 3.29Å; H173-R176 PolarHBondContact O-N 3.37Å; F174-R176 VanDerWaalsContact C-N 3.31Å; F174-R176 PolarHBondContact O-N 3.04Å; R176-Q179 PolarHBondContact O-N 2.88Å; R176-G180 PolarHBondContact O-N 3.26Å; R176-Q181 HydrophobicContact CB-CB 4.13Å; R176-Q181 WeakPolarHBondContact O-CB 3.3Å; R176-Q181 PolarHBondContact O-N 2.85Å |
| 177 | L | 97.6 | Very high | 95 | Very high | 4 Ų | 4 | 67.9 Ų | 67.9 | 2% | 0.021 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -60.7 | -48.8 | 177 | -179.7 | 62.3 | 0 | 0 | 0 | 111.4 | I70 L149 P154 H173 F174 H175 Q179 G180 | I70-L177 HydrophobicContact CD1-CD2 4.07Å; L149-L177 HydrophobicContact CB-CD1 3.98Å; L149-L177 HydrophobicContact CB-CD2 3.81Å; L149-L177 HydrophobicContact CD1-CD2 4.02Å; P154-L177 HydrophobicContact CG-CD1 3.6Å; H173-L177 PolarHBondContact O-N 2.75Å; F174-L177 HydrophobicContact CD1-CD2 4.15Å; F174-L177 HydrophobicContact CE1-CD2 4.49Å; F174-L177 WeakPolarHBondContact O-CB 3.42Å; F174-L177 PolarHBondContact O-N 2.52Å; H175-L177 PolarHBondContact O-N 2.86Å; L177-Q179 VanDerWaalsContact C-N 3.33Å; L177-Q179 PolarHBondContact O-N 2.88Å; L177-G180 PolarHBondContact O-N 2.95Å |
| 178 | I | 97.3 | Very high | 95.2 | Very high | 25 Ų | 25 | 67.9 Ų | 67.9 | 13% | 0.128 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -64.2 | -39 | 179.7 | -69.9 | 164.4 | 0 | 0 | 0 | 111.4 | I70 W159 L168 F174 H175 G180 | I70-I178 HydrophobicContact CD1-CD1 4.02Å; I70-I178 HydrophobicContact CD1-CG1 3.91Å; I70-I178 HydrophobicContact CG1-CD1 4.26Å; I70-I178 HydrophobicContact CG1-CG1 4.24Å; W159-I178 HydrophobicContact CB-CD1 4.23Å; W159-I178 HydrophobicContact CB-CG1 4.26Å; W159-I178 HydrophobicContact CD2-CD1 4.04Å; W159-I178 HydrophobicContact CD2-CG1 4.49Å; W159-I178 HydrophobicContact CD2-CG2 3.8Å; W159-I178 HydrophobicContact CE3-CD1 3.92Å; W159-I178 HydrophobicContact CG-CD1 4.19Å; W159-I178 HydrophobicContact CG-CG1 4.23Å; W159-I178 HydrophobicContact CG-CG2 3.8Å; W159-I178 HydrophobicContact CZ2-CG2 4.3Å; L168-I178 HydrophobicContact CB-CD1 3.72Å; L168-I178 HydrophobicContact CD1-CD1 4.03Å; L168-I178 HydrophobicContact CG-CD1 4.35Å; F174-I178 WeakPolarHBondContact O-CG1 3.42Å; F174-I178 PolarHBondContact O-N 3.35Å; H175-I178 PolarHBondContact O-N 2.85Å; I178-G180 PolarHBondContact O-N 3.37Å |
| 179 | Q | 95.7 | Very high | 95.4 | Very high | 129 Ų | 129 | 69.4 Ų | 69.4 | 60% | 0.603 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -2.7 | 175.1 | -65.4 | -60.8 | -31.7 | 0 | 0 | 113.3 | H175 R176 L177 Q181 | H175-Q179 WeakPolarHBondContact O-CB 3.24Å; H175-Q179 VanDerWaalsContact O-CG 3.24Å; H175-Q179 WeakPolarHBondContact O-CG 3.28Å; H175-Q179 PolarHBondContact O-N 2.98Å; R176-Q179 PolarHBondContact O-N 2.88Å; L177-Q179 VanDerWaalsContact C-N 3.33Å; L177-Q179 PolarHBondContact O-N 2.88Å; Q179-Q181 PolarHBondContact O-N 2.85Å |
| 180 | G | 95.3 | Very high | 95.8 | Very high | 36 Ų | 36 | 68.2 Ų | 68.2 | 37% | 0.371 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64 | 28 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | R176 L177 I178 K182 | R176-G180 PolarHBondContact O-N 3.26Å; L177-G180 PolarHBondContact O-N 2.95Å; I178-G180 PolarHBondContact O-N 3.37Å; G180-K182 PolarHBondContact O-N 2.62Å |
| 181 | Q | 95.2 | Very high | 96.1 | Very high | 102 Ų | 102 | 68.1 Ų | 68.1 | 48% | 0.477 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 127.9 | -175.5 | -170.6 | -180 | 42.9 | 0 | 0 | 110.7 | R176 Q179 | R176-Q181 HydrophobicContact CB-CB 4.13Å; R176-Q181 WeakPolarHBondContact O-CB 3.3Å; R176-Q181 PolarHBondContact O-N 2.85Å; Q179-Q181 PolarHBondContact O-N 2.85Å |
| 182 | K | 94.2 | Very high | 96.2 | Very high | 100 Ų | 100 | 68.7 Ų | 68.7 | 44% | 0.435 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -93.3 | 145.9 | 177.4 | -52.5 | -58.7 | -173.9 | 165.6 | 0 | 110.7 | E153 G180 A184 | E153-K182 HydrophobicContact CB-CD 4.42Å; E153-K182 HydrophobicContact CG-CD 3.99Å; E153-K182 WeakPolarHBondContact OE2-CD 3.19Å; E153-K182 WeakPolarHBondContact OE2-CE 3.4Å; E153-K182 IonicContact OE2-NZ 2.68Å; E153-K182 PolarHBondContact OE2-NZ 3.06Å; G180-K182 PolarHBondContact O-N 2.62Å; K182-A184 PolarHBondContact O-N 2.77Å |
| 183 | L | 93.9 | Very high | 96.3 | Very high | 33 Ų | 33 | 66.7 Ų | 66.7 | 17% | 0.173 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 125.8 | 177.3 | -62.7 | 175.7 | 0 | 0 | 0 | 110.9 | Y151 F188 K211 | Y151-L183 HydrophobicContact CD1-CD1 3.32Å; Y151-L183 HydrophobicContact CD2-CD1 4.28Å; Y151-L183 HydrophobicContact CE1-CD1 3.27Å; Y151-L183 HydrophobicContact CE2-CD1 4.24Å; Y151-L183 HydrophobicContact CE2-CD2 4.4Å; Y151-L183 HydrophobicContact CG-CD1 3.84Å; L183-F188 HydrophobicContact CB-CD1 4.37Å; L183-K211 WeakPolarHBondContact O-CD 3.42Å; L183-K211 WeakPolarHBondContact O-CE 3.19Å; L183-K211 PolarHBondContact O-NZ 2.91Å |
| 184 | A | 91.8 | Very high | 96.3 | Very high | 58 Ų | 58 | 66.5 Ų | 66.5 | 48% | 0.479 | 33% | 0.334 | S | S | . | . | trans | -76.6 | -44.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | K182 K211 | K182-A184 PolarHBondContact O-N 2.77Å; A184-K211 PolarHBondContact O-NZ 2.95Å | ||
| 185 | Y | 93.9 | Very high | 96.2 | Very high | 195 Ų | 195 | 70.6 Ų | 70.6 | 77% | 0.765 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -127.2 | 162.9 | -169.9 | -51.4 | -73.4 | 0 | 0 | 0 | 111.8 | F188 | Y185-F188 VanDerWaalsContact O-CE1 3.3Å; Y185-F188 WeakPolarHBondContact O-CE1 3.13Å |
| 186 | S | 94.8 | Very high | 96 | Very high | 91 Ų | 91 | 66.3 Ų | 66.3 | 64% | 0.636 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -67.5 | 158.5 | 173 | 56.3 | 0 | 0 | 0 | 0 | 111.2 | ||
| 187 | P | 96.6 | Very high | 95.5 | Very high | 82 Ų | 82 | 62.3 Ų | 62.3 | 53% | 0.532 | 32% | 0.324 | S | S | . | . | cis | -69.5 | 145.2 | 1.3 | 30.5 | -35.5 | 0 | 0 | 0 | 112.9 | Y151 | Y151-P187 WeakPolarHBondContact CE1-O 3.49Š| ||
| 188 | F | 98 | Very high | 94.9 | Very high | 54 Ų | 54 | 66.4 Ų | 66.4 | 24% | 0.237 | 34% | 0.341 | C | S | . | . | trans | -97.4 | 7 | 175.2 | -61.1 | -50.7 | 0 | 0 | 0 | 112.7 | L183 Y185 K208 S209 K211 | L183-F188 HydrophobicContact CB-CD1 4.37Å; Y185-F188 VanDerWaalsContact O-CE1 3.3Å; Y185-F188 WeakPolarHBondContact O-CE1 3.13Å; F188-K208 WeakPolarHBondContact O-CA 3.42Å; F188-S209 WeakPolarHBondContact CB-OG 3.31Å; F188-S209 PolarHBondContact O-N 2.85Å; F188-S209 PolarHBondContact O-OG 2.82Å; F188-K211 HydrophobicContact CD1-CB 3.64Å; F188-K211 HydrophobicContact CD1-CD 4.23Å; F188-K211 HydrophobicContact CD2-CB 3.97Å; F188-K211 HydrophobicContact CE1-CB 3.69Å; F188-K211 HydrophobicContact CE1-CD 3.53Å; F188-K211 HydrophobicContact CE1-CG 4.28Å; F188-K211 HydrophobicContact CE2-CB 4.02Å; F188-K211 HydrophobicContact CG-CB 3.79Å; F188-K211 HydrophobicContact CZ-CB 3.89Å; F188-K211 HydrophobicContact CZ-CD 3.81Å; F188-K211 HydrophobicContact CZ-CG 4.5Å | ||
| 189 | T | 98.5 | Very high | 94.3 | Very high | 32 Ų | 32 | 67.3 Ų | 67.3 | 20% | 0.196 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 149.5 | 173.8 | 53.4 | 0 | 0 | 0 | 0 | 109.3 | S207 K208 L214 Y220 | T189-S207 CarbonylContact C-O 3.45Å; T189-S207 VanDerWaalsContact CA-O 3.24Å; T189-S207 WeakPolarHBondContact CA-O 3.42Å; T189-K208 HydrophobicContact CG2-CB 3.97Å; T189-L214 HydrophobicContact CG2-CD2 3.84Å; T189-Y220 VanDerWaalsContact CB-CZ 3.46Å; T189-Y220 HydrophobicContact CG2-CD1 4.14Å; T189-Y220 HydrophobicContact CG2-CD2 3.99Å; T189-Y220 HydrophobicContact CG2-CE1 4.29Å; T189-Y220 HydrophobicContact CG2-CE2 4.16Å; T189-Y220 HydrophobicContact CG2-CG 4Å; T189-Y220 WeakPolarHBondContact OG1-CE2 3.27Å |
| 190 | H | 98.4 | Very high | 94 | Very high | 36 Ų | 36 | 67 Ų | 67 | 17% | 0.167 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 136 | -179.7 | -168.1 | 77.4 | 0 | 0 | 0 | 110.1 | T148 Y151 S207 Y220 | T148-H190 PolarHBondContact OG1-CD2 2.73Å; Y151-H190 HydrophobicContact CD1-CB 3.55Å; Y151-H190 HydrophobicContact CD2-CB 3.59Å; Y151-H190 AromaticContact CD2-CG 3.97Å; Y151-H190 HydrophobicContact CE1-CB 3.63Å; Y151-H190 HydrophobicContact CE2-CB 3.68Å; Y151-H190 AromaticContact CE2-CG 3.77Å; Y151-H190 AromaticContact CE2-ND1 3.86Å; Y151-H190 HydrophobicContact CG-CB 3.55Å; Y151-H190 AromaticContact CZ-ND1 3.92Å; H190-S207 PolarHBondContact N-O 3.06Å; H190-S207 PolarHBondContact O-N 3.47Å; H190-Y220 WeakPolarHBondContact CA-OH 3.47Å; H190-Y220 PolarHBondContact N-OH 2.73Å; H190-Y220 PolarHBondContact O-OH 3.09Å |
| 191 | Y | 98.5 | Very high | 93.9 | Very high | 66 Ų | 66 | 66.6 Ų | 66.6 | 26% | 0.259 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 132.8 | 175.3 | 167.9 | -102.9 | 0 | 0 | 0 | 107.6 | H193 R204 L205 Y206 Y220 V224 | Y191-H193 AromaticContact CE1-ND1 4Å; Y191-R204 HydrophobicContact CE2-CB 4.22Å; Y191-R204 HydrophobicContact CE2-CG 4.49Å; Y191-R204 PolarHBondContact OH-NH1 2.89Å; Y191-L205 WeakPolarHBondContact CA-O 3.14Å; Y191-L205 WeakPolarHBondContact CD2-O 3.33Å; Y191-Y206 AromaticContact CD2-CD1 3.7Å; Y191-Y206 HydrophobicContact CD2-CD1 3.7Å; Y191-Y206 AromaticContact CD2-CE1 3.45Å; Y191-Y206 HydrophobicContact CD2-CE1 3.45Å; Y191-Y206 VanDerWaalsContact CD2-CE1 3.45Å; Y191-Y206 HydrophobicContact CD2-CG 4.43Å; Y191-Y206 AromaticContact CD2-CZ 3.99Å; Y191-Y206 HydrophobicContact CE2-CD1 4.34Å; Y191-Y206 AromaticContact CE2-CE1 3.68Å; Y191-Y206 HydrophobicContact CE2-CE1 3.68Å; Y191-Y206 AromaticContact CE2-CZ 3.78Å; Y191-Y220 WeakPolarHBondContact CB-OH 3.49Å; Y191-Y220 PolarHBondContact N-OH 3.31Å; Y191-V224 HydrophobicContact CD1-CG1 4.39Å; Y191-V224 HydrophobicContact CD2-CG1 3.86Å; Y191-V224 HydrophobicContact CE2-CG1 4.26Å; Y191-V224 HydrophobicContact CG-CG1 3.91Å |
| 192 | Q | 97.9 | Very high | 93.9 | Very high | 44 Ų | 44 | 62.6 Ų | 62.6 | 21% | 0.206 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 155 | 172.6 | 176.7 | 55 | -22.7 | 0 | 0 | 109.8 | T144 T148 L205 | T144-Q192 VanDerWaalsContact CB-NE2 3.3Å; T144-Q192 PolarHBondContact OG1-NE2 3.34Å; T148-Q192 WeakPolarHBondContact OG1-CB 3.37Å; Q192-L205 PolarHBondContact N-O 3.11Å; Q192-L205 PolarHBondContact O-N 2.8Å |
| 193 | H | 97.5 | Very high | 94.1 | Very high | 93 Ų | 93 | 57.8 Ų | 57.8 | 43% | 0.431 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 156.4 | 169.3 | 72.8 | -62.6 | 0 | 0 | 0 | 111.2 | Y191 I203 R204 | Y191-H193 AromaticContact CE1-ND1 4Å; H193-I203 CarbonylContact C-O 3.43Å; H193-I203 WeakPolarHBondContact CA-O 3.44Å; H193-I203 WeakPolarHBondContact CB-O 3.47Å; H193-R204 HydrophobicContact CB-CG 4.18Å |
| 194 | F | 97.8 | Very high | 94.3 | Very high | 14 Ų | 14 | 58.5 Ų | 58.5 | 6% | 0.061 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 165.6 | 170.4 | 58.9 | -95.5 | 0 | 0 | 0 | 109.5 | I135 V137 P138 A141 I203 L205 | I135-F194 HydrophobicContact CG2-CE2 4.12Å; I135-F194 HydrophobicContact CG2-CZ 4.11Å; V137-F194 HydrophobicContact CB-CZ 4.48Å; V137-F194 HydrophobicContact CG1-CE1 4.41Å; V137-F194 HydrophobicContact CG1-CE2 4.36Å; V137-F194 HydrophobicContact CG1-CZ 4.13Å; V137-F194 HydrophobicContact CG2-CE2 4.46Å; V137-F194 HydrophobicContact CG2-CZ 4.01Å; P138-F194 HydrophobicContact CG-CD2 4.07Å; A141-F194 HydrophobicContact CB-CB 3.75Å; A141-F194 HydrophobicContact CB-CD1 4.01Å; A141-F194 HydrophobicContact CB-CD2 4.44Å; A141-F194 HydrophobicContact CB-CG 3.84Å; F194-I203 HydrophobicContact CD1-CB 4.48Å; F194-I203 HydrophobicContact CD2-CB 4.01Å; F194-I203 HydrophobicContact CD2-CG1 4.1Å; F194-I203 HydrophobicContact CE1-CB 4.17Å; F194-I203 HydrophobicContact CE1-CG2 4Å; F194-I203 HydrophobicContact CE2-CB 3.66Å; F194-I203 HydrophobicContact CE2-CG1 3.61Å; F194-I203 HydrophobicContact CE2-CG2 4.05Å; F194-I203 HydrophobicContact CG-CB 4.41Å; F194-I203 HydrophobicContact CZ-CB 3.75Å; F194-I203 HydrophobicContact CZ-CG1 4.08Å; F194-I203 HydrophobicContact CZ-CG2 3.61Å; F194-I203 PolarHBondContact N-O 3.45Å; F194-I203 PolarHBondContact O-N 3.13Å; F194-L205 HydrophobicContact CD1-CD1 4.05Å; F194-L205 HydrophobicContact CE1-CD1 3.62Å |
| 195 | L | 96 | Very high | 94.7 | Very high | 89 Ų | 89 | 55.8 Ų | 55.8 | 47% | 0.466 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 136.2 | 170.4 | -58.9 | -178.1 | 0 | 0 | 0 | 108.7 | P138 K200 F201 | P138-L195 WeakPolarHBondContact CG-O 3.1Å; L195-K200 HydrophobicContact CB-CD 4.32Å; L195-F201 CarbonylContact C-O 3.59Å; L195-F201 WeakPolarHBondContact CA-O 3.3Å |
| 196 | S | 90.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | trans | -60.3 | 157.6 | 170.6 | 66.1 | 0 | 0 | 0 | 0 | 111.2 | D13 K200 F201 | D13-S196 WeakPolarHBondContact OD2-CB 3.5Å; D13-S196 PolarHBondContact OD2-OG 3.33Å; S196-K200 WeakPolarHBondContact O-CA 3.15Å; S196-K200 WeakPolarHBondContact O-CD 3.4Å; S196-K200 PolarHBondContact O-N 3.06Å; S196-K200 PolarHBondContact OG-N 3.08Å; S196-F201 PolarHBondContact N-O 3.31Å; S196-F201 WeakPolarHBondContact OG-CB 3.3Å; S196-F201 WeakPolarHBondContact OG-CD2 3.44Å; S196-F201 PolarHBondContact OG-N 3Å | ||
| 197 | T | 86.6 | Confident | 95.1 | Very high | 25 Ų | 25 | 42.1 Ų | 42.1 | 15% | 0.153 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -54.2 | -169.7 | -60.6 | 0 | 0 | 0 | 0 | 113.4 | D13 D99 K200 | D13-T197 PolarHBondContact OD1-N 3.39Å; D99-T197 VanDerWaalsContact OD2-CB 3.29Å; D99-T197 WeakPolarHBondContact OD2-CB 3.44Å; D99-T197 WeakPolarHBondContact OD2-CG2 3.17Å; D99-T197 PolarHBondContact OD2-OG1 2.88Å; T197-K200 WeakPolarHBondContact O-CE 3.14Å; T197-K200 PolarHBondContact O-NZ 2.97Å |
| 198 | F | 84.7 | Confident | 95.1 | Very high | 90 Ų | 90 | 38.3 Ų | 38.3 | 40% | 0.395 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -61.2 | -165 | -56 | -67.2 | 0 | 0 | 0 | 112.5 | M11 D13 I136 K200 | M11-F198 HydrophobicContact CB-CD1 4.3Å; M11-F198 HydrophobicContact CB-CD2 3.69Å; M11-F198 HydrophobicContact CB-CE1 4.02Å; M11-F198 HydrophobicContact CB-CE2 3.4Å; M11-F198 VanDerWaalsContact CB-CE2 3.4Å; M11-F198 HydrophobicContact CB-CG 4.18Å; M11-F198 HydrophobicContact CB-CZ 3.61Å; M11-F198 HydrophobicContact CE-CE1 4.3Å; M11-F198 HydrophobicContact CE-CE2 3.73Å; M11-F198 HydrophobicContact CE-CZ 3.3Å; M11-F198 HydrophobicContact CG-CE1 4.42Å; M11-F198 HydrophobicContact CG-CE2 4.28Å; M11-F198 HydrophobicContact CG-CZ 4.05Å; M11-F198 HydrophobicContact SD-CE1 3.71Å; M11-F198 HydrophobicContact SD-CE2 4.04Å; M11-F198 HydrophobicContact SD-CZ 3.3Å; M11-F198 WeakPolarHBondContact SD-CZ 3.34Å; D13-F198 WeakPolarHBondContact OD1-CB 3.32Å; D13-F198 WeakPolarHBondContact OD1-CD2 3.24Å; D13-F198 PolarHBondContact OD1-N 3.42Å; I136-F198 HydrophobicContact CG2-CE2 4.44Å; F198-K200 VanDerWaalsContact C-N 3.33Å |
| 199 | G | 85.5 | Confident | 95.1 | Very high | 44 Ų | 44 | 35.7 Ų | 35.7 | 45% | 0.454 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83 | -3.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | D13 F201 | D13-G199 WeakPolarHBondContact OD2-CA 3.26Å; D13-G199 PolarHBondContact OD2-N 2.83Å; G199-F201 PolarHBondContact O-N 2.83Å |
| 200 | K | 89.1 | Confident | 95 | Very high | 124 Ų | 124 | 39.6 Ų | 39.6 | 54% | 0.539 | 19% | 0.189 | S | C | . | . | trans | 54.4 | 33.6 | 178.1 | -56.3 | -58.4 | -175.8 | -159.8 | 0 | 113.6 | L195 S196 T197 F198 | L195-K200 HydrophobicContact CB-CD 4.32Å; S196-K200 WeakPolarHBondContact O-CA 3.15Å; S196-K200 WeakPolarHBondContact O-CD 3.4Å; S196-K200 PolarHBondContact O-N 3.06Å; S196-K200 PolarHBondContact OG-N 3.08Å; T197-K200 WeakPolarHBondContact O-CE 3.14Å; T197-K200 PolarHBondContact O-NZ 2.97Å; F198-K200 VanDerWaalsContact C-N 3.33Å | ||
| 201 | F | 92.4 | Very high | 94.9 | Very high | 27 Ų | 27 | 42.4 Ų | 42.4 | 12% | 0.118 | 20% | 0.201 | C | C | . | . | P | Polyproline II helix | trans | -65.1 | 135.9 | 173.7 | -61.5 | -77.2 | 0 | 0 | 0 | 109.9 | D13 W14 A31 N32 L195 S196 G199 I203 I307 | D13-F201 HydrophobicContact CB-CD2 4.15Å; D13-F201 HydrophobicContact CB-CE2 4.47Å; D13-F201 WeakPolarHBondContact OD2-CD2 3.47Å; W14-F201 AromaticContact CD1-CD2 3.79Å; W14-F201 AromaticContact NE1-CD2 3.27Å; W14-F201 VanDerWaalsContact NE1-CD2 3.27Å; W14-F201 AromaticContact NE1-CE2 3.6Å; W14-F201 AromaticContact NE1-CG 3.56Å; A31-F201 HydrophobicContact CB-CE2 4.12Å; N32-F201 WeakPolarHBondContact O-CZ 3.47Å; L195-F201 CarbonylContact C-O 3.59Å; L195-F201 WeakPolarHBondContact CA-O 3.3Å; S196-F201 PolarHBondContact N-O 3.31Å; S196-F201 WeakPolarHBondContact OG-CB 3.3Å; S196-F201 WeakPolarHBondContact OG-CD2 3.44Å; S196-F201 PolarHBondContact OG-N 3Å; G199-F201 PolarHBondContact O-N 2.83Å; F201-I203 HydrophobicContact CB-CD1 4.47Å; F201-I203 PolarHBondContact O-N 2.67Å; F201-I307 HydrophobicContact CB-CG2 4.41Å |
| 202 | S | 96.3 | Very high | 94.8 | Very high | 17 Ų | 17 | 40.1 Ų | 40.1 | 12% | 0.119 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 116.5 | 175.1 | -167.5 | 0 | 0 | 0 | 0 | 110.1 | E308 | S202-E308 PolarHBondContact O-N 2.85Å |
| 203 | I | 97.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 121.2 | 174 | -49.6 | -59.1 | 0 | 0 | 0 | 108 | I135 H193 F194 F201 L205 V305 C306 I307 | I135-I203 HydrophobicContact CD1-CG2 4.05Å; I135-I203 HydrophobicContact CG2-CG1 4.31Å; H193-I203 CarbonylContact C-O 3.43Å; H193-I203 WeakPolarHBondContact CA-O 3.44Å; H193-I203 WeakPolarHBondContact CB-O 3.47Å; F194-I203 HydrophobicContact CD1-CB 4.48Å; F194-I203 HydrophobicContact CD2-CB 4.01Å; F194-I203 HydrophobicContact CD2-CG1 4.1Å; F194-I203 HydrophobicContact CE1-CB 4.17Å; F194-I203 HydrophobicContact CE1-CG2 4Å; F194-I203 HydrophobicContact CE2-CB 3.66Å; F194-I203 HydrophobicContact CE2-CG1 3.61Å; F194-I203 HydrophobicContact CE2-CG2 4.05Å; F194-I203 HydrophobicContact CG-CB 4.41Å; F194-I203 HydrophobicContact CZ-CB 3.75Å; F194-I203 HydrophobicContact CZ-CG1 4.08Å; F194-I203 HydrophobicContact CZ-CG2 3.61Å; F194-I203 PolarHBondContact N-O 3.45Å; F194-I203 PolarHBondContact O-N 3.13Å; F201-I203 HydrophobicContact CB-CD1 4.47Å; F201-I203 PolarHBondContact O-N 2.67Å; I203-L205 HydrophobicContact CG2-CD1 3.87Å; I203-V305 HydrophobicContact CG2-CG1 4.19Å; I203-C306 CarbonylContact C-O 3.57Å; I203-C306 WeakPolarHBondContact CA-O 3.45Å; I203-I307 HydrophobicContact CD1-CB 4.44Å; I203-I307 HydrophobicContact CD1-CG1 3.88Å; I203-I307 HydrophobicContact CD1-CG2 4.35Å |
| 204 | R | 98.5 | Very high | 94.6 | Very high | 48 Ų | 48 | 41.2 Ų | 41.2 | 18% | 0.181 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 130.4 | -175.8 | -62.8 | 175 | -177.8 | -101.5 | 5.4 | 110.5 | Y191 H193 Y206 V305 C306 E308 | Y191-R204 HydrophobicContact CE2-CB 4.22Å; Y191-R204 HydrophobicContact CE2-CG 4.49Å; Y191-R204 PolarHBondContact OH-NH1 2.89Å; H193-R204 HydrophobicContact CB-CG 4.18Å; R204-Y206 HydrophobicContact CB-CE2 3.91Å; R204-V305 CarbonylContact O-C 3.03Å; R204-V305 WeakPolarHBondContact O-CA 3.15Å; R204-C306 HydrophobicContact CB-CB 4.26Å; R204-C306 PolarHBondContact N-O 2.87Å; R204-C306 PolarHBondContact O-N 2.93Å; R204-E308 IonicContact CZ-OE2 3.6Å; R204-E308 IonicContact NE-OE2 3.55Å; R204-E308 PolarHBondContact NE-OE2 3.06Å; R204-E308 IonicContact NH2-OE2 2.75Å; R204-E308 PolarHBondContact NH2-OE2 2.61Å |
| 205 | L | 98.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 129.6 | -175.5 | -66.6 | 77.3 | 0 | 0 | 0 | 109.1 | W102 L145 T148 Y191 Q192 F194 I203 V304 V305 | W102-L205 HydrophobicContact CH2-CD2 3.49Å; W102-L205 VanDerWaalsContact CH2-CD2 3.49Å; W102-L205 HydrophobicContact CH2-CG 4.21Å; W102-L205 HydrophobicContact CZ3-CD2 3.64Å; W102-L205 HydrophobicContact CZ3-CG 4.21Å; L145-L205 HydrophobicContact CD1-CD2 3.47Å; L145-L205 VanDerWaalsContact CD1-CD2 3.47Å; T148-L205 HydrophobicContact CG2-CB 3.77Å; T148-L205 HydrophobicContact CG2-CD2 3.65Å; T148-L205 HydrophobicContact CG2-CG 4.39Å; Y191-L205 WeakPolarHBondContact CA-O 3.14Å; Y191-L205 WeakPolarHBondContact CD2-O 3.33Å; Q192-L205 PolarHBondContact N-O 3.11Å; Q192-L205 PolarHBondContact O-N 2.8Å; F194-L205 HydrophobicContact CD1-CD1 4.05Å; F194-L205 HydrophobicContact CE1-CD1 3.62Å; I203-L205 HydrophobicContact CG2-CD1 3.87Å; L205-V304 WeakPolarHBondContact CA-O 3.34Å; L205-V305 HydrophobicContact CG-CG1 4.44Å; L205-V305 HydrophobicContact CG-CG2 4.38Å |
| 206 | Y | 98.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 120.3 | 174.1 | -51.3 | -94.9 | 0 | 0 | 0 | 107.2 | Y191 R204 I216 Y220 V221 V224 G303 V304 | Y191-Y206 AromaticContact CD2-CD1 3.7Å; Y191-Y206 HydrophobicContact CD2-CD1 3.7Å; Y191-Y206 AromaticContact CD2-CE1 3.45Å; Y191-Y206 HydrophobicContact CD2-CE1 3.45Å; Y191-Y206 VanDerWaalsContact CD2-CE1 3.45Å; Y191-Y206 HydrophobicContact CD2-CG 4.43Å; Y191-Y206 AromaticContact CD2-CZ 3.99Å; Y191-Y206 HydrophobicContact CE2-CD1 4.34Å; Y191-Y206 AromaticContact CE2-CE1 3.68Å; Y191-Y206 HydrophobicContact CE2-CE1 3.68Å; Y191-Y206 AromaticContact CE2-CZ 3.78Å; R204-Y206 HydrophobicContact CB-CE2 3.91Å; Y206-I216 WeakPolarHBondContact O-CD1 3.28Å; Y206-Y220 HydrophobicContact CD1-CE1 4.27Å; Y206-V221 HydrophobicContact CD1-CG2 4.18Å; Y206-V221 HydrophobicContact CD2-CG1 4.29Å; Y206-V221 HydrophobicContact CD2-CG2 4.09Å; Y206-V221 HydrophobicContact CE2-CG1 4.24Å; Y206-V221 HydrophobicContact CG-CB 4.5Å; Y206-V221 HydrophobicContact CG-CG1 4.47Å; Y206-V221 HydrophobicContact CG-CG2 3.75Å; Y206-V224 HydrophobicContact CD1-CB 4.22Å; Y206-V224 HydrophobicContact CD1-CG1 4.28Å; Y206-V224 HydrophobicContact CE1-CB 3.79Å; Y206-V224 HydrophobicContact CE1-CG1 3.67Å; Y206-G303 CarbonylContact O-C 3.37Å; Y206-G303 VanDerWaalsContact O-CA 3.31Å; Y206-G303 WeakPolarHBondContact O-CA 3.18Å; Y206-V304 HydrophobicContact CD2-CB 4.36Å; Y206-V304 HydrophobicContact CD2-CG1 4.45Å; Y206-V304 PolarHBondContact N-O 3.11Å; Y206-V304 PolarHBondContact O-N 2.74Å |
| 207 | S | 98.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 145.7 | -178.8 | -65.8 | 0 | 0 | 0 | 0 | 110.7 | T148 Q152 T189 H190 S302 | T148-S207 WeakPolarHBondContact CG2-OG 3.49Å; T148-S207 WeakPolarHBondContact O-CB 3.06Å; T148-S207 PolarHBondContact O-OG 3.29Å; Q152-S207 VanDerWaalsContact CG-OG 3.23Å; Q152-S207 WeakPolarHBondContact CG-OG 3.19Å; Q152-S207 PolarHBondContact NE2-OG 3.32Å; T189-S207 CarbonylContact C-O 3.45Å; T189-S207 VanDerWaalsContact CA-O 3.24Å; T189-S207 WeakPolarHBondContact CA-O 3.42Å; H190-S207 PolarHBondContact N-O 3.06Å; H190-S207 PolarHBondContact O-N 3.47Å; S207-S302 WeakPolarHBondContact CA-O 3.41Å |
| 208 | K | 98.1 | Very high | 95.3 | Very high | 1 Ų | 1 | 37 Ų | 37 | 0% | 0.004 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 140.4 | 167.9 | 72.4 | 169.2 | 172.4 | 47.2 | 0 | 111 | Y151 F188 T189 L214 I216 H297 V300 S301 S302 | Y151-K208 CarbonylContact O-C 3.54Å; F188-K208 WeakPolarHBondContact O-CA 3.42Å; T189-K208 HydrophobicContact CG2-CB 3.97Å; K208-L214 HydrophobicContact CD-CD1 3.73Å; K208-L214 HydrophobicContact CD-CG 4.2Å; K208-L214 WeakPolarHBondContact CD-O 3.36Å; K208-L214 WeakPolarHBondContact CE-O 3.25Å; K208-I216 HydrophobicContact CD-CB 4.01Å; K208-I216 HydrophobicContact CG-CB 4.37Å; K208-I216 HydrophobicContact CG-CD1 4.16Å; K208-H297 PolarHBondContact NZ-O 2.82Å; K208-V300 PolarHBondContact NZ-O 2.94Å; K208-S301 CarbonylContact O-C 3.41Å; K208-S301 VanDerWaalsContact O-CA 3.26Å; K208-S301 WeakPolarHBondContact O-CA 3.39Å; K208-S301 VanDerWaalsContact O-CB 3.31Å; K208-S301 WeakPolarHBondContact O-CB 3.35Å; K208-S302 WeakPolarHBondContact CE-OG 3.05Å; K208-S302 VanDerWaalsContact CG-OG 3.27Å; K208-S302 WeakPolarHBondContact CG-OG 3.04Å; K208-S302 PolarHBondContact N-O 3.19Å; K208-S302 PolarHBondContact NZ-OG 2.61Å; K208-S302 PolarHBondContact O-N 3.03Å |
| 209 | S | 97.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | trans | -82.6 | 167.4 | 169.6 | 79.9 | 0 | 0 | 0 | 0 | 111.3 | Y151 E153 F188 K211 G212 | Y151-S209 WeakPolarHBondContact O-CA 2.99Å; Y151-S209 PolarHBondContact O-N 3.45Å; Y151-S209 VanDerWaalsContact O-N 3.11Å; E153-S209 VanDerWaalsContact OE1-CB 3.3Å; E153-S209 WeakPolarHBondContact OE1-CB 2.92Å; F188-S209 WeakPolarHBondContact CB-OG 3.31Å; F188-S209 PolarHBondContact O-N 2.85Å; F188-S209 PolarHBondContact O-OG 2.82Å; S209-K211 PolarHBondContact O-N 2.82Å; S209-G212 PolarHBondContact O-N 3.09Å | ||
| 210 | R | 96 | Very high | 96.4 | Very high | 113 Ų | 113 | 39.8 Ų | 39.8 | 43% | 0.426 | 18% | 0.178 | S | C | . | . | G | 310 helix | trans | -59.1 | -38.6 | 179.8 | -169.8 | 177.6 | -168.8 | -176.7 | 3.1 | 112 | E153 G212 H213 A299 | E153-R210 WeakPolarHBondContact OE1-CB 3.32Å; E153-R210 PolarHBondContact OE1-N 3.1Å; R210-G212 PolarHBondContact O-N 3.24Å; R210-H213 PolarHBondContact O-N 3.08Å; R210-A299 WeakPolarHBondContact CG-O 3.45Å; R210-A299 PolarHBondContact NE-O 2.83Å |
| 211 | K | 96.3 | Very high | 96.8 | Very high | 95 Ų | 95 | 33.9 Ų | 33.9 | 41% | 0.413 | 15% | 0.153 | S | C | . | . | G | 310 helix | trans | -65 | -16.8 | 178.5 | -73.3 | -175.1 | 173.8 | 174.1 | 0 | 113.5 | L183 A184 F188 S209 H213 | L183-K211 WeakPolarHBondContact O-CD 3.42Å; L183-K211 WeakPolarHBondContact O-CE 3.19Å; L183-K211 PolarHBondContact O-NZ 2.91Å; A184-K211 PolarHBondContact O-NZ 2.95Å; F188-K211 HydrophobicContact CD1-CB 3.64Å; F188-K211 HydrophobicContact CD1-CD 4.23Å; F188-K211 HydrophobicContact CD2-CB 3.97Å; F188-K211 HydrophobicContact CE1-CB 3.69Å; F188-K211 HydrophobicContact CE1-CD 3.53Å; F188-K211 HydrophobicContact CE1-CG 4.28Å; F188-K211 HydrophobicContact CE2-CB 4.02Å; F188-K211 HydrophobicContact CG-CB 3.79Å; F188-K211 HydrophobicContact CZ-CB 3.89Å; F188-K211 HydrophobicContact CZ-CD 3.81Å; F188-K211 HydrophobicContact CZ-CG 4.5Å; S209-K211 PolarHBondContact O-N 2.82Å; K211-H213 PolarHBondContact O-CD2 2.98Å; K211-H213 VanDerWaalsContact O-CD2 3.27Å; K211-H213 PolarHBondContact O-N 3.3Å |
| 212 | G | 95.7 | Very high | 97 | Very high | 18 Ų | 18 | 32.7 Ų | 32.7 | 19% | 0.186 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | -65.7 | -25.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | S209 R210 L214 | S209-G212 PolarHBondContact O-N 3.09Å; R210-G212 PolarHBondContact O-N 3.24Å; G212-L214 PolarHBondContact O-N 3.25Å |
| 213 | H | 95.7 | Very high | 97 | Very high | 121 Ų | 121 | 37.1 Ų | 37.1 | 56% | 0.56 | 17% | 0.168 | S | C | * | . | trans | 45.7 | 36.2 | 174.4 | -70.2 | -63.6 | 0 | 0 | 0 | 115.8 | R210 K211 T298 | R210-H213 PolarHBondContact O-N 3.08Å; K211-H213 PolarHBondContact O-CD2 2.98Å; K211-H213 VanDerWaalsContact O-CD2 3.27Å; K211-H213 PolarHBondContact O-N 3.3Å; H213-T298 CarbonylContact C-O 3.6Å; H213-T298 WeakPolarHBondContact CA-O 3.44Å | ||
| 214 | L | 95.9 | Very high | 96.9 | Very high | 39 Ų | 39 | 39.9 Ų | 39.9 | 20% | 0.204 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -130.4 | 161.4 | -174.2 | 62.7 | 82.5 | 0 | 0 | 0 | 111.9 | T189 K208 G212 R219 T298 | T189-L214 HydrophobicContact CG2-CD2 3.84Å; K208-L214 HydrophobicContact CD-CD1 3.73Å; K208-L214 HydrophobicContact CD-CG 4.2Å; K208-L214 WeakPolarHBondContact CD-O 3.36Å; K208-L214 WeakPolarHBondContact CE-O 3.25Å; G212-L214 PolarHBondContact O-N 3.25Å; L214-R219 HydrophobicContact CB-CB 4.18Å; L214-R219 HydrophobicContact CD1-CB 4.29Å; L214-T298 PolarHBondContact N-O 3.16Å; L214-T298 WeakPolarHBondContact O-CA 3.44Å |
| 215 | D | 95.5 | Very high | 96.8 | Very high | 14 Ų | 14 | 38 Ų | 38 | 8% | 0.075 | 18% | 0.179 | C | C | . | . | trans | -77.9 | 118.8 | 166.4 | 170.3 | 51.6 | 0 | 0 | 0 | 110.6 | Y217 S218 R219 L241 R293 T298 | D215-Y217 PolarHBondContact O-N 3.21Å; D215-S218 WeakPolarHBondContact OD2-CB 3.1Å; D215-S218 PolarHBondContact OD2-N 2.8Å; D215-S218 PolarHBondContact OD2-OG 2.81Å; D215-R219 WeakPolarHBondContact O-CB 3.08Å; D215-R219 PolarHBondContact O-N 3.45Å; D215-R219 VanDerWaalsContact O-N 3.1Å; D215-L241 HydrophobicContact CB-CD1 3.96Å; D215-R293 IonicContact OD1-NH1 3Å; D215-R293 PolarHBondContact OD1-NH1 2.87Å; D215-R293 IonicContact OD2-CZ 3.33Å; D215-R293 IonicContact OD2-NH1 2.77Å; D215-R293 PolarHBondContact OD2-NH1 3.24Å; D215-T298 HydrophobicContact CB-CG2 4.35Å | ||
| 216 | I | 97.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.1 | -34.3 | -174.8 | -170.4 | 161 | 0 | 0 | 0 | 112 | Y206 K208 Y220 V221 A291 S302 V304 | Y206-I216 WeakPolarHBondContact O-CD1 3.28Å; K208-I216 HydrophobicContact CD-CB 4.01Å; K208-I216 HydrophobicContact CG-CB 4.37Å; K208-I216 HydrophobicContact CG-CD1 4.16Å; I216-Y220 HydrophobicContact CG1-CD1 4.43Å; I216-Y220 WeakPolarHBondContact O-CB 3.2Å; I216-Y220 PolarHBondContact O-N 2.89Å; I216-V221 HydrophobicContact CG1-CG2 4.12Å; I216-V221 WeakPolarHBondContact O-CG2 3.33Å; I216-V221 PolarHBondContact O-N 3.07Å; I216-A291 HydrophobicContact CG2-CB 3.67Å; I216-S302 WeakPolarHBondContact CD1-OG 3.2Å; I216-V304 HydrophobicContact CD1-CG2 3.87Å; I216-V304 HydrophobicContact CG1-CG2 4.04Å; I216-V304 HydrophobicContact CG2-CG2 4.09Å |
| 217 | Y | 97.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | I | π-helix | trans | -72 | -64.3 | -177.3 | -58.1 | -80 | 0 | 0 | 0 | 111.3 | D215 V221 T222 L229 V231 A276 S289 A291 R293 V304 | D215-Y217 PolarHBondContact O-N 3.21Å; Y217-V221 PolarHBondContact O-N 2.82Å; Y217-T222 PolarHBondContact O-N 3.2Å; Y217-T222 PolarHBondContact O-OG1 2.78Å; Y217-L229 HydrophobicContact CD1-CD1 4.22Å; Y217-V231 HydrophobicContact CD1-CG1 4.17Å; Y217-V231 HydrophobicContact CD1-CG2 3.78Å; Y217-V231 HydrophobicContact CD2-CG1 4.41Å; Y217-V231 HydrophobicContact CE1-CG1 3.78Å; Y217-V231 HydrophobicContact CE1-CG2 4.16Å; Y217-V231 HydrophobicContact CE2-CG1 4.03Å; Y217-V231 HydrophobicContact CG-CG1 4.45Å; Y217-V231 HydrophobicContact CG-CG2 4.04Å; Y217-A276 HydrophobicContact CD1-CB 4.35Å; Y217-A276 HydrophobicContact CE1-CB 4.07Å; Y217-S289 WeakPolarHBondContact OH-CB 3.44Å; Y217-S289 PolarHBondContact OH-OG 2.79Å; Y217-A291 HydrophobicContact CE2-CB 3.79Å; Y217-A291 WeakPolarHBondContact CE2-O 3.37Å; Y217-A291 PolarHBondContact OH-O 3.41Å; Y217-R293 VanDerWaalsContact CD2-CD 3.49Å; Y217-R293 HydrophobicContact CD2-CG 4.38Å; Y217-R293 HydrophobicContact CE2-CG 4.37Å; Y217-V304 HydrophobicContact CD1-CG2 4.48Å; Y217-V304 HydrophobicContact CE1-CG2 4.09Å |
| 218 | S | 95.7 | Very high | 96.5 | Very high | 27 Ų | 27 | 46.8 Ų | 46.8 | 19% | 0.189 | 21% | 0.214 | C | C | . | . | I | π-helix | trans | -83.1 | -17 | -168.1 | 87.6 | 0 | 0 | 0 | 0 | 114.6 | D215 T222 T251 | D215-S218 WeakPolarHBondContact OD2-CB 3.1Å; D215-S218 PolarHBondContact OD2-N 2.8Å; D215-S218 PolarHBondContact OD2-OG 2.81Å; S218-T222 PolarHBondContact O-OG1 2.67Å; S218-T251 WeakPolarHBondContact CA-OG1 3.45Å; S218-T251 VanDerWaalsContact CB-OG1 3.27Å; S218-T251 WeakPolarHBondContact CB-OG1 3.25Å |
| 219 | R | 95.5 | Very high | 96.4 | Very high | 164 Ų | 164 | 46.7 Ų | 46.7 | 62% | 0.619 | 21% | 0.214 | S | C | * | . | I | π-helix | trans | -109.9 | -8.3 | -179.2 | -61 | -64.3 | -172.3 | 172.4 | -0 | 113.3 | L214 D215 | L214-R219 HydrophobicContact CB-CB 4.18Å; L214-R219 HydrophobicContact CD1-CB 4.29Å; D215-R219 WeakPolarHBondContact O-CB 3.08Å; D215-R219 PolarHBondContact O-N 3.45Å; D215-R219 VanDerWaalsContact O-N 3.1Å |
| 220 | Y | 97.2 | Very high | 96.4 | Very high | 28 Ų | 28 | 47.3 Ų | 47.3 | 11% | 0.11 | 22% | 0.217 | C | C | . | . | I | π-helix | trans | -134.2 | -63.2 | -178.6 | -169.4 | -126.2 | 0 | 0 | 0 | 113.5 | T189 H190 Y191 Y206 I216 T222 M223 V224 | T189-Y220 VanDerWaalsContact CB-CZ 3.46Å; T189-Y220 HydrophobicContact CG2-CD1 4.14Å; T189-Y220 HydrophobicContact CG2-CD2 3.99Å; T189-Y220 HydrophobicContact CG2-CE1 4.29Å; T189-Y220 HydrophobicContact CG2-CE2 4.16Å; T189-Y220 HydrophobicContact CG2-CG 4Å; T189-Y220 WeakPolarHBondContact OG1-CE2 3.27Å; H190-Y220 WeakPolarHBondContact CA-OH 3.47Å; H190-Y220 PolarHBondContact N-OH 2.73Å; H190-Y220 PolarHBondContact O-OH 3.09Å; Y191-Y220 WeakPolarHBondContact CB-OH 3.49Å; Y191-Y220 PolarHBondContact N-OH 3.31Å; Y206-Y220 HydrophobicContact CD1-CE1 4.27Å; I216-Y220 HydrophobicContact CG1-CD1 4.43Å; I216-Y220 WeakPolarHBondContact O-CB 3.2Å; I216-Y220 PolarHBondContact O-N 2.89Å; Y220-T222 PolarHBondContact O-N 2.95Å; Y220-M223 PolarHBondContact O-N 3.24Å; Y220-M223 VanDerWaalsContact O-N 3.14Å; Y220-V224 HydrophobicContact CD2-CG2 3.87Å; Y220-V224 HydrophobicContact CE2-CG2 3.52Å; Y220-V224 WeakPolarHBondContact O-CG2 3.5Å; Y220-V224 PolarHBondContact O-N 3.2Å |
| 221 | V | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.197 | C | C | . | . | I | π-helix | trans | -58.8 | -49.7 | -176.4 | 179 | 0 | 0 | 0 | 0 | 111.1 | Y206 I216 Y217 M223 V224 A225 L229 V304 | Y206-V221 HydrophobicContact CD1-CG2 4.18Å; Y206-V221 HydrophobicContact CD2-CG1 4.29Å; Y206-V221 HydrophobicContact CD2-CG2 4.09Å; Y206-V221 HydrophobicContact CE2-CG1 4.24Å; Y206-V221 HydrophobicContact CG-CB 4.5Å; Y206-V221 HydrophobicContact CG-CG1 4.47Å; Y206-V221 HydrophobicContact CG-CG2 3.75Å; I216-V221 HydrophobicContact CG1-CG2 4.12Å; I216-V221 WeakPolarHBondContact O-CG2 3.33Å; I216-V221 PolarHBondContact O-N 3.07Å; Y217-V221 PolarHBondContact O-N 2.82Å; V221-M223 VanDerWaalsContact C-N 3.25Å; V221-M223 PolarHBondContact O-N 3.15Å; V221-V224 PolarHBondContact O-N 3.36Å; V221-A225 HydrophobicContact CG1-CB 4.5Å; V221-A225 WeakPolarHBondContact O-CB 3.42Å; V221-A225 PolarHBondContact O-N 3.07Å; V221-L229 HydrophobicContact CB-CD1 3.96Å; V221-L229 HydrophobicContact CG1-CD1 3.75Å; V221-L229 HydrophobicContact CG1-CD2 4.37Å; V221-V304 HydrophobicContact CG2-CB 4.16Å; V221-V304 HydrophobicContact CG2-CG1 4.41Å; V221-V304 HydrophobicContact CG2-CG2 4.02Å |
| 222 | T | 96.7 | Very high | 96.5 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.006 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.3 | -37.3 | 178.7 | 50.9 | 0 | 0 | 0 | 0 | 113.1 | Y217 S218 Y220 R226 A227 L229 W249 T251 | Y217-T222 PolarHBondContact O-N 3.2Å; Y217-T222 PolarHBondContact O-OG1 2.78Å; S218-T222 PolarHBondContact O-OG1 2.67Å; Y220-T222 PolarHBondContact O-N 2.95Å; T222-R226 VanDerWaalsContact O-CA 3.27Å; T222-R226 WeakPolarHBondContact O-CA 3.45Å; T222-R226 PolarHBondContact O-N 3.2Å; T222-A227 WeakPolarHBondContact CA-O 3.23Å; T222-A227 WeakPolarHBondContact CG2-O 3.29Å; T222-A227 PolarHBondContact O-N 2.94Å; T222-L229 HydrophobicContact CG2-CB 4.47Å; T222-L229 HydrophobicContact CG2-CD1 3.78Å; T222-L229 HydrophobicContact CG2-CG 3.91Å; T222-W249 HydrophobicContact CG2-CB 4.39Å; T222-T251 WeakPolarHBondContact CG2-OG1 3.24Å |
| 223 | M | 95.3 | Very high | 96.5 | Very high | 111 Ų | 111 | 36.7 Ų | 36.7 | 55% | 0.547 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -73.7 | -40.5 | -178 | -61.2 | -58.7 | -65.6 | 0 | 0 | 112.4 | Y220 V221 W249 | Y220-M223 PolarHBondContact O-N 3.24Å; Y220-M223 VanDerWaalsContact O-N 3.14Å; V221-M223 VanDerWaalsContact C-N 3.25Å; V221-M223 PolarHBondContact O-N 3.15Å; M223-W249 HydrophobicContact CE-CZ3 4.46Å; M223-W249 HydrophobicContact SD-CE3 4.22Å; M223-W249 HydrophobicContact SD-CZ3 4.36Å |
| 224 | V | 96.8 | Very high | 96.3 | Very high | 57 Ų | 57 | 33 Ų | 33 | 35% | 0.345 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -77.8 | -43.1 | 179.3 | 179.3 | 0 | 0 | 0 | 0 | 110.8 | Y191 Y206 Y220 V221 R226 | Y191-V224 HydrophobicContact CD1-CG1 4.39Å; Y191-V224 HydrophobicContact CD2-CG1 3.86Å; Y191-V224 HydrophobicContact CE2-CG1 4.26Å; Y191-V224 HydrophobicContact CG-CG1 3.91Å; Y206-V224 HydrophobicContact CD1-CB 4.22Å; Y206-V224 HydrophobicContact CD1-CG1 4.28Å; Y206-V224 HydrophobicContact CE1-CB 3.79Å; Y206-V224 HydrophobicContact CE1-CG1 3.67Å; Y220-V224 HydrophobicContact CD2-CG2 3.87Å; Y220-V224 HydrophobicContact CE2-CG2 3.52Å; Y220-V224 WeakPolarHBondContact O-CG2 3.5Å; Y220-V224 PolarHBondContact O-N 3.2Å; V221-V224 PolarHBondContact O-N 3.36Å; V224-R226 VanDerWaalsContact C-N 3.3Å; V224-R226 PolarHBondContact O-N 2.81Å |
| 225 | A | 96.7 | Very high | 95.8 | Very high | 10 Ų | 10 | 32.5 Ų | 32.5 | 8% | 0.083 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -74.4 | -19.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | V221 A227 L283 L285 | V221-A225 HydrophobicContact CG1-CB 4.5Å; V221-A225 WeakPolarHBondContact O-CB 3.42Å; V221-A225 PolarHBondContact O-N 3.07Å; A225-A227 HydrophobicContact CB-CB 4.41Å; A225-A227 PolarHBondContact O-N 2.61Å; A225-L283 HydrophobicContact CB-CD2 3.96Å; A225-L283 WeakPolarHBondContact O-CD2 3.26Å; A225-L285 HydrophobicContact CB-CD1 4.5Å |
| 226 | R | 95.6 | Very high | 94.9 | Very high | 177 Ų | 177 | 33.7 Ų | 33.7 | 67% | 0.668 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51 | 45.2 | -173.2 | -60 | -174.2 | 177.7 | -170.9 | -0.9 | 111.9 | T222 V224 W249 | T222-R226 VanDerWaalsContact O-CA 3.27Å; T222-R226 WeakPolarHBondContact O-CA 3.45Å; T222-R226 PolarHBondContact O-N 3.2Å; V224-R226 VanDerWaalsContact C-N 3.3Å; V224-R226 PolarHBondContact O-N 2.81Å; R226-W249 VanDerWaalsContact C-CE2 3.45Å; R226-W249 VanDerWaalsContact CA-CE2 3.43Å; R226-W249 HydrophobicContact CB-CD2 4.36Å; R226-W249 HydrophobicContact CB-CH2 3.97Å; R226-W249 HydrophobicContact CB-CZ2 3.51Å; R226-W249 HydrophobicContact CG-CH2 3.72Å; R226-W249 HydrophobicContact CG-CZ2 3.78Å; R226-W249 HydrophobicContact CG-CZ3 4.26Å; R226-W249 PolarHBondContact O-NE1 3.47Å |
| 227 | A | 96.7 | Very high | 93.7 | Very high | 3 Ų | 3 | 42.7 Ų | 42.7 | 3% | 0.025 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -147.4 | 144.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | T222 A225 T278 | T222-A227 WeakPolarHBondContact CA-O 3.23Å; T222-A227 WeakPolarHBondContact CG2-O 3.29Å; T222-A227 PolarHBondContact O-N 2.94Å; A225-A227 HydrophobicContact CB-CB 4.41Å; A225-A227 PolarHBondContact O-N 2.61Å; A227-T278 HydrophobicContact CB-CG2 3.8Å |
| 228 | G | 96.2 | Very high | 91.9 | Very high | 3 Ų | 3 | 52.6 Ų | 52.6 | 3% | 0.031 | 25% | 0.247 | C | C | . | . | trans | -71 | 165.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | K250 T278 T279 | G228-K250 CarbonylContact C-O 3.57Å; G228-K250 WeakPolarHBondContact CA-O 3.33Å; G228-T278 CarbonylContact O-C 3.5Å; G228-T278 WeakPolarHBondContact O-CA 3.16Å; G228-T279 WeakPolarHBondContact CA-OG1 3.23Å; G228-T279 PolarHBondContact O-N 2.68Å; G228-T279 PolarHBondContact O-OG1 3.05Å | ||
| 229 | L | 97.3 | Very high | 91 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 139.5 | -176.5 | -65.9 | 173.4 | 0 | 0 | 0 | 111.7 | Y217 V221 T222 V231 K250 T251 Q252 A276 I277 T278 | Y217-L229 HydrophobicContact CD1-CD1 4.22Å; V221-L229 HydrophobicContact CB-CD1 3.96Å; V221-L229 HydrophobicContact CG1-CD1 3.75Å; V221-L229 HydrophobicContact CG1-CD2 4.37Å; T222-L229 HydrophobicContact CG2-CB 4.47Å; T222-L229 HydrophobicContact CG2-CD1 3.78Å; T222-L229 HydrophobicContact CG2-CG 3.91Å; L229-V231 HydrophobicContact CB-CG2 4.16Å; L229-K250 PolarHBondContact N-O 3.02Å; L229-T251 HydrophobicContact CB-CG2 4.4Å; L229-T251 CarbonylContact O-C 3.51Å; L229-T251 WeakPolarHBondContact O-CA 3.5Å; L229-Q252 PolarHBondContact O-N 3.44Å; L229-A276 HydrophobicContact CD2-CB 4.45Å; L229-I277 CarbonylContact C-O 3.57Å; L229-I277 WeakPolarHBondContact CA-O 3.37Å; L229-T278 HydrophobicContact CD2-CG2 3.74Å |
| 230 | N | 96.9 | Very high | 90.6 | Very high | 12 Ų | 12 | 53 Ų | 53 | 6% | 0.064 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 128.4 | 158.5 | -68.2 | -26.6 | 0 | 0 | 0 | 108.6 | Q252 L254 A276 I277 | N230-Q252 WeakPolarHBondContact CA-O 3.37Å; N230-L254 HydrophobicContact CB-CD2 4.4Å; N230-L254 HydrophobicContact CB-CG 4.33Å; N230-A276 WeakPolarHBondContact O-CA 3.24Å; N230-I277 HydrophobicContact CB-CD1 4.49Å; N230-I277 HydrophobicContact CB-CG1 3.93Å; N230-I277 PolarHBondContact N-O 2.81Å; N230-I277 PolarHBondContact O-N 2.79Å |
| 231 | V | 97.4 | Very high | 90.3 | Very high | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.006 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 123.8 | -172 | -173.8 | 0 | 0 | 0 | 0 | 111.3 | Y217 L229 T251 Q252 L254 A276 R293 | Y217-V231 HydrophobicContact CD1-CG1 4.17Å; Y217-V231 HydrophobicContact CD1-CG2 3.78Å; Y217-V231 HydrophobicContact CD2-CG1 4.41Å; Y217-V231 HydrophobicContact CE1-CG1 3.78Å; Y217-V231 HydrophobicContact CE1-CG2 4.16Å; Y217-V231 HydrophobicContact CE2-CG1 4.03Å; Y217-V231 HydrophobicContact CG-CG1 4.45Å; Y217-V231 HydrophobicContact CG-CG2 4.04Å; L229-V231 HydrophobicContact CB-CG2 4.16Å; V231-T251 HydrophobicContact CG2-CG2 3.8Å; V231-Q252 PolarHBondContact N-O 2.95Å; V231-L254 WeakPolarHBondContact O-CB 3.37Å; V231-L254 PolarHBondContact O-N 3.37Å; V231-A276 HydrophobicContact CG2-CB 4.05Å; V231-R293 HydrophobicContact CB-CG 4.12Å; V231-R293 HydrophobicContact CG1-CG 3.68Å |
| 232 | W | 97.4 | Very high | 90 | Very high | 1 Ų | 1 | 57.6 Ų | 57.6 | 0% | 0.004 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 121.1 | 166.4 | -177.9 | -100.8 | 0 | 0 | 0 | 109.5 | L254 V259 R268 D271 R274 W275 | W232-L254 HydrophobicContact CB-CD1 3.98Å; W232-L254 HydrophobicContact CE3-CB 3.84Å; W232-L254 HydrophobicContact CE3-CD1 4.42Å; W232-V259 HydrophobicContact CD2-CG1 3.63Å; W232-V259 HydrophobicContact CE3-CG1 3.34Å; W232-V259 HydrophobicContact CG-CG1 4.47Å; W232-V259 HydrophobicContact CH2-CB 4.25Å; W232-V259 HydrophobicContact CH2-CG1 3.63Å; W232-V259 HydrophobicContact CH2-CG2 4.11Å; W232-V259 HydrophobicContact CZ2-CB 4.3Å; W232-V259 HydrophobicContact CZ2-CG1 3.87Å; W232-V259 HydrophobicContact CZ2-CG2 3.7Å; W232-V259 HydrophobicContact CZ3-CB 4.39Å; W232-V259 HydrophobicContact CZ3-CG1 3.33Å; W232-R268 VanDerWaalsContact CD2-NH1 3.29Å; W232-R268 VanDerWaalsContact CE2-NH1 3.3Å; W232-R268 HydrophobicContact CH2-CB 3.87Å; W232-R268 HydrophobicContact CH2-CG 4.49Å; W232-R268 VanDerWaalsContact CH2-CZ 3.45Å; W232-R268 HydrophobicContact CZ2-CB 3.92Å; W232-R268 HydrophobicContact CZ2-CG 4.34Å; W232-D271 PolarHBondContact NE1-OD2 3.34Å; W232-R274 VanDerWaalsContact O-CA 3.32Å; W232-R274 WeakPolarHBondContact O-CA 3.34Å; W232-W275 HydrophobicContact CB-CD2 3.7Å; W232-W275 HydrophobicContact CB-CE3 4.16Å; W232-W275 HydrophobicContact CB-CG 4.22Å; W232-W275 HydrophobicContact CB-CH2 3.98Å; W232-W275 HydrophobicContact CB-CZ2 3.5Å; W232-W275 HydrophobicContact CB-CZ3 4.28Å; W232-W275 AromaticContact CD1-CD1 3.78Å; W232-W275 AromaticContact CD1-CE2 3.8Å; W232-W275 AromaticContact CD1-NE1 3.22Å; W232-W275 HydrophobicContact CD2-CZ2 4.38Å; W232-W275 HydrophobicContact CG-CD2 4.43Å; W232-W275 AromaticContact CG-CE2 3.66Å; W232-W275 AromaticContact CG-CZ2 3.79Å; W232-W275 HydrophobicContact CG-CZ2 3.79Å; W232-W275 AromaticContact CG-NE1 3.58Å; W232-W275 PolarHBondContact N-O 2.98Å; W232-W275 PolarHBondContact O-N 3.38Å |
| 233 | S | 95.6 | Very high | 89.8 | Confident | 2 Ų | 2 | 58.2 Ų | 58.2 | 1% | 0.014 | 29% | 0.289 | C | S | . | . | trans | -161.8 | 173 | 175.8 | 67 | 0 | 0 | 0 | 0 | 110.6 | L235 R268 D292 R293 | S233-L235 PolarHBondContact O-N 3.02Å; S233-R268 PolarHBondContact O-NH1 2.94Å; S233-D292 WeakPolarHBondContact CB-OD1 3.48Å; S233-R293 WeakPolarHBondContact OG-CG 3.15Å; S233-R293 PolarHBondContact OG-N 3.02Å | ||
| 234 | S | 91.9 | Very high | 89.5 | Confident | 43 Ų | 43 | 53.8 Ų | 53.8 | 30% | 0.301 | 27% | 0.271 | S | S | . | . | trans | -65.1 | 128.5 | 173.4 | -173.5 | 0 | 0 | 0 | 0 | 110.6 | G236 D292 | S234-G236 VanDerWaalsContact C-N 3.29Å; S234-G236 PolarHBondContact OG-N 3.25Å; S234-D292 WeakPolarHBondContact CB-OD1 3.14Å; S234-D292 PolarHBondContact N-OD1 3.05Å | ||
| 235 | L | 85.3 | Confident | 89.2 | Confident | 29 Ų | 29 | 53.5 Ų | 53.5 | 15% | 0.152 | 27% | 0.272 | C | S | . | . | trans | -79 | -16.6 | 173.1 | -61.3 | -180 | 0 | 0 | 0 | 112.2 | S233 K240 L255 | S233-L235 PolarHBondContact O-N 3.02Å; L235-K240 HydrophobicContact CB-CB 4.48Å; L235-K240 HydrophobicContact CD2-CB 4.45Å; L235-K240 HydrophobicContact CD2-CD 4.42Å; L235-L255 HydrophobicContact CD1-CD2 3.9Å | ||
| 236 | G | 76.8 | Confident | 88.5 | Confident | 38 Ų | 38 | 59.6 Ų | 59.6 | 39% | 0.392 | 31% | 0.308 | S | S | . | . | trans | 60.3 | -174.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | S234 | S234-G236 VanDerWaalsContact C-N 3.29Å; S234-G236 PolarHBondContact OG-N 3.25Å | ||
| 237 | K | 72.2 | Confident | 87.8 | Confident | 189 Ų | 189 | 53.2 Ų | 53.2 | 82% | 0.822 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -95 | -26.9 | -177.9 | -65.5 | -176.2 | 178.1 | -177.1 | 0 | 114.6 | ||
| 238 | Y | 59.9 | Low | 87.5 | Confident | 208 Ų | 208 | 60.7 Ų | 60.7 | 82% | 0.816 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -115 | -41.2 | -159.5 | -58.6 | -66.3 | 0 | 0 | 0 | 115.3 | ||
| 239 | M | 76.1 | Confident | 87.4 | Confident | 109 Ų | 109 | 63.5 Ų | 63.5 | 54% | 0.537 | 34% | 0.341 | S | S | . | . | trans | -154.2 | 73.4 | -170 | -70.9 | -174.3 | -78 | 0 | 0 | 112.3 | R294 R295 | M239-R294 WeakPolarHBondContact O-CA 3.42Å; M239-R295 HydrophobicContact CB-CB 4.2Å; M239-R295 PolarHBondContact O-N 3.32Å; M239-R295 VanDerWaalsContact O-N 3.11Å | ||
| 240 | K | 85.8 | Confident | 87.4 | Confident | 90 Ų | 90 | 67.6 Ų | 67.6 | 39% | 0.391 | 36% | 0.359 | S | S | . | . | B | Isolated β-bridge | trans | -64.7 | 140.7 | 165.9 | 66.1 | 168.7 | 178.5 | 162.2 | 0 | 109.8 | L235 R293 E326 | L235-K240 HydrophobicContact CB-CB 4.48Å; L235-K240 HydrophobicContact CD2-CB 4.45Å; L235-K240 HydrophobicContact CD2-CD 4.42Å; K240-R293 CarbonylContact C-O 3.48Å; K240-R293 WeakPolarHBondContact CA-O 3.41Å; K240-E326 IonicContact NZ-OE1 3Å; K240-E326 PolarHBondContact NZ-OE1 3.44Å |
| 241 | L | 91.8 | Very high | 87.3 | Confident | 35 Ų | 35 | 67 Ų | 67 | 18% | 0.183 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -73.9 | 129.1 | 166.6 | -71.1 | 170.3 | 0 | 0 | 0 | 107.7 | D215 N253 R293 R295 T298 | D215-L241 HydrophobicContact CB-CD1 3.96Å; L241-N253 PolarHBondContact O-ND2 3.27Å; L241-R293 PolarHBondContact N-O 2.87Å; L241-R295 HydrophobicContact CD2-CB 4.34Å; L241-T298 HydrophobicContact CD1-CG2 3.98Å |
| 242 | P | 91.7 | Very high | 87.2 | Confident | 91 Ų | 91 | 68.5 Ų | 68.5 | 59% | 0.591 | 36% | 0.363 | S | S | * | . | P | Polyproline II helix | trans | -63.6 | 162.7 | 174 | 30.3 | -35.7 | 0 | 0 | 0 | 110 | G244 R293 | P242-G244 PolarHBondContact O-N 2.92Å; P242-R293 PolarHBondContact O-NH2 2.97Å |
| 243 | S | 93 | Very high | 87.1 | Confident | 13 Ų | 13 | 68.5 Ų | 68.5 | 9% | 0.091 | 36% | 0.363 | C | S | . | . | P | Polyproline II helix | trans | -54 | 134.9 | 170.9 | -65.9 | 0 | 0 | 0 | 0 | 111.1 | C245 T251 Q252 N253 E326 | S243-C245 PolarHBondContact O-N 2.94Å; S243-C245 PolarHBondContact O-SG 3.42Å; S243-C245 VanDerWaalsContact O-SG 3.38Å; S243-T251 CarbonylContact C-O 3.43Å; S243-T251 WeakPolarHBondContact CA-O 3.37Å; S243-T251 VanDerWaalsContact CB-O 3.3Å; S243-T251 WeakPolarHBondContact CB-O 3.45Å; S243-Q252 WeakPolarHBondContact OG-CA 3.48Å; S243-N253 PolarHBondContact OG-N 3.3Å; S243-E326 PolarHBondContact N-OE2 3.36Å; S243-E326 WeakPolarHBondContact OG-CB 3.45Å; S243-E326 PolarHBondContact OG-O 2.85Å; S243-E326 VanDerWaalsContact OG-O 3.06Å; S243-E326 PolarHBondContact OG-OE2 3.39Å |
| 244 | G | 89.6 | Confident | 87.1 | Confident | 18 Ų | 18 | 68.6 Ų | 68.6 | 19% | 0.186 | 36% | 0.363 | C | S | . | . | B | Isolated β-bridge | trans | -81.2 | 99.8 | 180 | 0 | 0 | 0 | 0 | 0 | 110 | P242 K250 T251 | P242-G244 PolarHBondContact O-N 2.92Å; G244-K250 VanDerWaalsContact O-CA 3.29Å; G244-K250 WeakPolarHBondContact O-CA 3.49Å; G244-T251 PolarHBondContact N-O 3.23Å; G244-T251 PolarHBondContact O-N 3.48Å |
| 245 | C | 89 | Confident | 87.1 | Confident | 52 Ų | 52 | 69 Ų | 69 | 35% | 0.351 | 36% | 0.362 | S | S | . | . | trans | -109.6 | -1.2 | -169.9 | -57.2 | 0 | 0 | 0 | 0 | 115 | S243 G247 C328 | S243-C245 PolarHBondContact O-N 2.94Å; S243-C245 PolarHBondContact O-SG 3.42Å; S243-C245 VanDerWaalsContact O-SG 3.38Å; C245-G247 PolarHBondContact O-N 3.2Å; C245-C328 WeakPolarHBondContact CA-SG 3.19Å; C245-C328 HydrophobicContact CB-CB 3.55Å; C245-C328 WeakPolarHBondContact CB-SG 3.45Å; C245-C328 WeakPolarHBondContact SG-CA 3.21Å; C245-C328 WeakPolarHBondContact SG-CB 3.22Å; C245-C328 CovalentContact SG-SG 2.03Å; C245-C328 PolarHBondContact SG-SG 3.13Å | ||
| 246 | T | 81.7 | Confident | 87 | Confident | 137 Ų | 137 | 67.8 Ų | 67.8 | 84% | 0.84 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -93.1 | 17.1 | -168.4 | 60.6 | 0 | 0 | 0 | 0 | 114.5 | ||
| 247 | G | 81.6 | Confident | 87.7 | Confident | 43 Ų | 43 | 70.5 Ų | 70.5 | 44% | 0.443 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -145 | 171.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | C245 W249 | C245-G247 PolarHBondContact O-N 3.2Å; G247-W249 VanDerWaalsContact C-N 3.26Å; G247-W249 PolarHBondContact O-N 3.02Å |
| 248 | E | 90.8 | Very high | 88.8 | Confident | 160 Ų | 160 | 62.5 Ų | 62.5 | 75% | 0.748 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -55.8 | -43.4 | 177.3 | -174.2 | -179.6 | 166.3 | 0 | 0 | 111.4 | ||
| 249 | W | 94.9 | Very high | 90.5 | Very high | 63 Ų | 63 | 52.6 Ų | 52.6 | 24% | 0.239 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -103.1 | 105.3 | 178.6 | -53.5 | -60.8 | 0 | 0 | 0 | 111 | T222 M223 R226 G247 | T222-W249 HydrophobicContact CG2-CB 4.39Å; M223-W249 HydrophobicContact CE-CZ3 4.46Å; M223-W249 HydrophobicContact SD-CE3 4.22Å; M223-W249 HydrophobicContact SD-CZ3 4.36Å; R226-W249 VanDerWaalsContact C-CE2 3.45Å; R226-W249 VanDerWaalsContact CA-CE2 3.43Å; R226-W249 HydrophobicContact CB-CD2 4.36Å; R226-W249 HydrophobicContact CB-CH2 3.97Å; R226-W249 HydrophobicContact CB-CZ2 3.51Å; R226-W249 HydrophobicContact CG-CH2 3.72Å; R226-W249 HydrophobicContact CG-CZ2 3.78Å; R226-W249 HydrophobicContact CG-CZ3 4.26Å; R226-W249 PolarHBondContact O-NE1 3.47Å; G247-W249 VanDerWaalsContact C-N 3.26Å; G247-W249 PolarHBondContact O-N 3.02Å |
| 250 | K | 95.3 | Very high | 91.5 | Very high | 86 Ų | 86 | 51.9 Ų | 51.9 | 37% | 0.374 | 29% | 0.29 | S | S | . | . | trans | -78.9 | 146.6 | -177.8 | -62.6 | 173.8 | 172.1 | -173.7 | 0 | 111.5 | G228 L229 G244 Q252 C328 | G228-K250 CarbonylContact C-O 3.57Å; G228-K250 WeakPolarHBondContact CA-O 3.33Å; L229-K250 PolarHBondContact N-O 3.02Å; G244-K250 VanDerWaalsContact O-CA 3.29Å; G244-K250 WeakPolarHBondContact O-CA 3.49Å; K250-Q252 HydrophobicContact CB-CG 4.35Å; K250-C328 HydrophobicContact CD-CB 3.71Å | ||
| 251 | T | 96 | Very high | 92 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 111.6 | 168.3 | -58 | 0 | 0 | 0 | 0 | 108.9 | S218 T222 L229 V231 S243 G244 | S218-T251 WeakPolarHBondContact CA-OG1 3.45Å; S218-T251 VanDerWaalsContact CB-OG1 3.27Å; S218-T251 WeakPolarHBondContact CB-OG1 3.25Å; T222-T251 WeakPolarHBondContact CG2-OG1 3.24Å; L229-T251 HydrophobicContact CB-CG2 4.4Å; L229-T251 CarbonylContact O-C 3.51Å; L229-T251 WeakPolarHBondContact O-CA 3.5Å; V231-T251 HydrophobicContact CG2-CG2 3.8Å; S243-T251 CarbonylContact C-O 3.43Å; S243-T251 WeakPolarHBondContact CA-O 3.37Å; S243-T251 VanDerWaalsContact CB-O 3.3Å; S243-T251 WeakPolarHBondContact CB-O 3.45Å; G244-T251 PolarHBondContact N-O 3.23Å; G244-T251 PolarHBondContact O-N 3.48Å |
| 252 | Q | 95.4 | Very high | 92.2 | Very high | 31 Ų | 31 | 48.1 Ų | 48.1 | 15% | 0.145 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 134 | -175.1 | -56.9 | -174.6 | -95.8 | 0 | 0 | 110.6 | L229 N230 V231 S243 K250 L325 | L229-Q252 PolarHBondContact O-N 3.44Å; N230-Q252 WeakPolarHBondContact CA-O 3.37Å; V231-Q252 PolarHBondContact N-O 2.95Å; S243-Q252 WeakPolarHBondContact OG-CA 3.48Å; K250-Q252 HydrophobicContact CB-CG 4.35Å; Q252-L325 HydrophobicContact CB-CD1 3.62Å; Q252-L325 HydrophobicContact CB-CD2 4.36Å; Q252-L325 HydrophobicContact CB-CG 4.05Å; Q252-L325 VanDerWaalsContact NE2-CD2 3.33Å |
| 253 | N | 95.3 | Very high | 92.2 | Very high | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 128.4 | 177.3 | -64 | -36.5 | 0 | 0 | 0 | 109.6 | L241 S243 L255 R293 E326 | L241-N253 PolarHBondContact O-ND2 3.27Å; S243-N253 PolarHBondContact OG-N 3.3Å; N253-L255 HydrophobicContact CB-CD2 4.28Å; N253-L255 PolarHBondContact O-N 3.31Å; N253-R293 VanDerWaalsContact OD1-CG 3.25Å; N253-R293 WeakPolarHBondContact OD1-CG 3.45Å; N253-R293 PolarHBondContact OD1-NE 3.25Å; N253-E326 HydrophobicContact CB-CB 4.1Å; N253-E326 PolarHBondContact ND2-OE2 2.96Å; N253-E326 PolarHBondContact O-N 3.32Å |
| 254 | L | 95.3 | Very high | 92.3 | Very high | 5 Ų | 5 | 54 Ų | 54 | 3% | 0.026 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 119.7 | 159.8 | -65.9 | 173.4 | 0 | 0 | 0 | 106.5 | N230 V231 W232 R268 W275 A320 S323 N324 L325 | N230-L254 HydrophobicContact CB-CD2 4.4Å; N230-L254 HydrophobicContact CB-CG 4.33Å; V231-L254 WeakPolarHBondContact O-CB 3.37Å; V231-L254 PolarHBondContact O-N 3.37Å; W232-L254 HydrophobicContact CB-CD1 3.98Å; W232-L254 HydrophobicContact CE3-CB 3.84Å; W232-L254 HydrophobicContact CE3-CD1 4.42Å; L254-R268 PolarHBondContact O-NH2 3.08Å; L254-W275 HydrophobicContact CD1-CH2 3.6Å; L254-W275 HydrophobicContact CD1-CZ2 4.36Å; L254-W275 HydrophobicContact CD1-CZ3 3.92Å; L254-A320 HydrophobicContact CD1-CB 3.76Å; L254-A320 HydrophobicContact CD2-CB 3.99Å; L254-S323 WeakPolarHBondContact CB-OG 3.06Å; L254-N324 CarbonylContact C-O 3.58Å; L254-L325 HydrophobicContact CD2-CD1 3.9Å |
| 255 | L | 91.2 | Very high | 92.7 | Very high | 51 Ų | 51 | 57.4 Ų | 57.4 | 27% | 0.267 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | -26.4 | -175.1 | -68.2 | -179.6 | 0 | 0 | 0 | 113.1 | L235 N253 R268 S323 N324 E326 | L235-L255 HydrophobicContact CD1-CD2 3.9Å; N253-L255 HydrophobicContact CB-CD2 4.28Å; N253-L255 PolarHBondContact O-N 3.31Å; L255-R268 VanDerWaalsContact C-NH2 3.3Å; L255-R268 PolarHBondContact O-NE 3.39Å; L255-R268 PolarHBondContact O-NH2 2.75Å; L255-S323 PolarHBondContact N-OG 3.15Å; L255-N324 HydrophobicContact CB-CB 4.35Å; L255-N324 PolarHBondContact N-O 3.19Å; L255-E326 HydrophobicContact CD1-CB 3.71Å; L255-E326 HydrophobicContact CD1-CG 4.27Å; L255-E326 HydrophobicContact CD2-CB 3.89Å; L255-E326 HydrophobicContact CD2-CG 4.49Å; L255-E326 HydrophobicContact CG-CB 3.72Å |
| 256 | G | 84.3 | Confident | 93 | Very high | 3 Ų | 3 | 55 Ų | 55 | 3% | 0.031 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 88.7 | -150.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | S258 S323 N324 | G256-S258 VanDerWaalsContact CA-N 3.34Å; G256-S323 PolarHBondContact N-OG 3.2Å; G256-N324 PolarHBondContact O-N 3.01Å; G256-N324 PolarHBondContact O-ND2 2.96Å |
| 257 | P | 91.9 | Very high | 93.7 | Very high | 95 Ų | 95 | 50.8 Ų | 50.8 | 62% | 0.617 | 27% | 0.268 | S | S | * | . | S | Bend | cis | -78.7 | -11.1 | 20.6 | 31.7 | -37.1 | 0 | 0 | 0 | 115.2 | R268 | P257-R268 WeakPolarHBondContact O-CB 3.48Å; P257-R268 PolarHBondContact O-N 3.07Å |
| 258 | S | 94.9 | Very high | 94.3 | Very high | 22 Ų | 22 | 49.8 Ų | 49.8 | 15% | 0.154 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 165.7 | -174.9 | 55.9 | 0 | 0 | 0 | 0 | 112.5 | G256 T265 I266 | G256-S258 VanDerWaalsContact CA-N 3.34Å; S258-T265 WeakPolarHBondContact OG-CG2 3.35Å; S258-I266 WeakPolarHBondContact CA-O 3.18Å; S258-I266 WeakPolarHBondContact CB-O 3.35Å |
| 259 | V | 96.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 160 | 166.2 | -79.9 | 0 | 0 | 0 | 0 | 110 | W232 V261 T265 I266 W275 V319 | W232-V259 HydrophobicContact CD2-CG1 3.63Å; W232-V259 HydrophobicContact CE3-CG1 3.34Å; W232-V259 HydrophobicContact CG-CG1 4.47Å; W232-V259 HydrophobicContact CH2-CB 4.25Å; W232-V259 HydrophobicContact CH2-CG1 3.63Å; W232-V259 HydrophobicContact CH2-CG2 4.11Å; W232-V259 HydrophobicContact CZ2-CB 4.3Å; W232-V259 HydrophobicContact CZ2-CG1 3.87Å; W232-V259 HydrophobicContact CZ2-CG2 3.7Å; W232-V259 HydrophobicContact CZ3-CB 4.39Å; W232-V259 HydrophobicContact CZ3-CG1 3.33Å; V259-V261 HydrophobicContact CG2-CG2 4.26Å; V259-T265 CarbonylContact O-C 3.54Å; V259-T265 WeakPolarHBondContact O-CA 3.33Å; V259-I266 HydrophobicContact CG2-CB 4.34Å; V259-I266 PolarHBondContact N-O 3.37Å; V259-I266 PolarHBondContact O-N 3.21Å; V259-W275 HydrophobicContact CG1-CZ2 4.08Å; V259-V319 HydrophobicContact CB-CG1 3.79Å; V259-V319 HydrophobicContact CG1-CG1 4.16Å; V259-V319 HydrophobicContact CG2-CG1 4.39Å |
| 260 | K | 96.7 | Very high | 94.5 | Very high | 93 Ų | 93 | 48 Ų | 48 | 40% | 0.404 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 93.3 | 175.7 | -169.4 | 176.9 | 179.7 | 177.7 | 0 | 110.3 | N262 I264 V319 T322 | K260-N262 PolarHBondContact O-N 3.32Å; K260-I264 CarbonylContact C-O 3.57Å; K260-I264 WeakPolarHBondContact CA-O 3.32Å; K260-V319 PolarHBondContact N-O 2.81Å; K260-V319 VanDerWaalsContact N-O 3.16Å; K260-V319 WeakPolarHBondContact O-CA 3.47Å; K260-T322 HydrophobicContact CB-CG2 3.97Å; K260-T322 HydrophobicContact CD-CG2 4.32Å |
| 261 | V | 96.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 111.8 | 176.9 | -176.5 | 0 | 0 | 0 | 0 | 108 | Y18 E27 W37 V259 K263 I264 I266 V319 | Y18-V261 HydrophobicContact CD1-CG1 4.35Å; Y18-V261 HydrophobicContact CD1-CG2 4.14Å; Y18-V261 HydrophobicContact CD2-CG1 3.83Å; Y18-V261 HydrophobicContact CD2-CG2 3.81Å; Y18-V261 HydrophobicContact CE1-CG2 3.92Å; Y18-V261 HydrophobicContact CE2-CG1 4.44Å; Y18-V261 HydrophobicContact CE2-CG2 3.56Å; Y18-V261 HydrophobicContact CG-CG1 3.77Å; Y18-V261 HydrophobicContact CG-CG2 4.08Å; E27-V261 HydrophobicContact CB-CG1 3.86Å; E27-V261 HydrophobicContact CG-CG1 4Å; W37-V261 HydrophobicContact CH2-CG1 3.61Å; W37-V261 HydrophobicContact CZ2-CG1 4.08Å; W37-V261 HydrophobicContact CZ3-CG1 4.03Å; V259-V261 HydrophobicContact CG2-CG2 4.26Å; V261-K263 PolarHBondContact O-N 3.42Å; V261-I264 PolarHBondContact N-O 2.81Å; V261-I264 PolarHBondContact O-N 3.36Å; V261-I266 HydrophobicContact CB-CD1 4.06Å; V261-I266 HydrophobicContact CG2-CD1 3.7Å; V261-I266 HydrophobicContact CG2-CG1 4.4Å; V261-V319 HydrophobicContact CG2-CG1 3.98Å |
| 262 | N | 94.6 | Very high | 94.6 | Very high | 46 Ų | 46 | 46.4 Ų | 46.4 | 25% | 0.246 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | -108.1 | -169.3 | -170 | 5.8 | 0 | 0 | 0 | 111.6 | E27 W37 K260 | E27-N262 HydrophobicContact CG-CB 4.15Å; E27-N262 PolarHBondContact OE1-ND2 3.03Å; E27-N262 WeakPolarHBondContact OE2-CB 3.15Å; E27-N262 PolarHBondContact OE2-ND2 3.31Å; W37-N262 HydrophobicContact CB-CB 4.45Å; W37-N262 HydrophobicContact CD2-CB 3.91Å; W37-N262 HydrophobicContact CG-CB 3.81Å; K260-N262 PolarHBondContact O-N 3.32Å |
| 263 | K | 92.3 | Very high | 94.6 | Very high | 171 Ų | 171 | 45 Ų | 45 | 74% | 0.743 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.9 | -5.5 | 177.8 | -65.4 | 176.2 | -173.4 | 171.1 | 0 | 113.3 | V261 | V261-K263 PolarHBondContact O-N 3.42Š|
| 264 | I | 95.6 | Very high | 94.7 | Very high | 58 Ų | 58 | 46.3 Ų | 46.3 | 30% | 0.297 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 125.5 | -165.8 | -56.5 | 177.2 | 0 | 0 | 0 | 110.2 | L20 E27 K260 V261 I266 | L20-I264 HydrophobicContact CD1-CD1 3.34Å; L20-I264 HydrophobicContact CD2-CB 4.34Å; L20-I264 HydrophobicContact CD2-CD1 3.81Å; L20-I264 HydrophobicContact CD2-CG2 4.15Å; L20-I264 HydrophobicContact CG-CD1 4.21Å; E27-I264 WeakPolarHBondContact OE1-CD1 3.39Å; K260-I264 CarbonylContact C-O 3.57Å; K260-I264 WeakPolarHBondContact CA-O 3.32Å; V261-I264 PolarHBondContact N-O 2.81Å; V261-I264 PolarHBondContact O-N 3.36Å; I264-I266 HydrophobicContact CG2-CG1 4.25Å |
| 265 | T | 96.7 | Very high | 94.9 | Very high | 89 Ų | 89 | 46 Ų | 46 | 55% | 0.546 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 124.2 | 173.7 | -61.9 | 0 | 0 | 0 | 0 | 110 | S258 V259 | S258-T265 WeakPolarHBondContact OG-CG2 3.35Å; V259-T265 CarbonylContact O-C 3.54Å; V259-T265 WeakPolarHBondContact O-CA 3.33Å |
| 266 | I | 96.4 | Very high | 95.2 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 122.5 | 179.3 | -53.8 | -179.4 | 0 | 0 | 0 | 108.6 | Y18 L20 P21 A129 S258 V259 V261 I264 D271 | Y18-I266 HydrophobicContact CD1-CD1 4.19Å; Y18-I266 HydrophobicContact CE1-CD1 3.9Å; L20-I266 HydrophobicContact CD2-CD1 3.92Å; P21-I266 HydrophobicContact CG-CG2 4.49Å; A129-I266 HydrophobicContact CB-CD1 4.1Å; A129-I266 HydrophobicContact CB-CG2 3.73Å; S258-I266 WeakPolarHBondContact CA-O 3.18Å; S258-I266 WeakPolarHBondContact CB-O 3.35Å; V259-I266 HydrophobicContact CG2-CB 4.34Å; V259-I266 PolarHBondContact N-O 3.37Å; V259-I266 PolarHBondContact O-N 3.21Å; V261-I266 HydrophobicContact CB-CD1 4.06Å; V261-I266 HydrophobicContact CG2-CD1 3.7Å; V261-I266 HydrophobicContact CG2-CG1 4.4Å; I264-I266 HydrophobicContact CG2-CG1 4.25Å; I266-D271 HydrophobicContact CG2-CB 3.94Å |
| 267 | S | 95.3 | Very high | 95.9 | Very high | 49 Ų | 49 | 43.5 Ų | 43.5 | 34% | 0.343 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 141 | 173.4 | 178.9 | 0 | 0 | 0 | 0 | 110.7 | D269 D270 D271 | S267-D269 PolarHBondContact O-N 2.84Å; S267-D269 PolarHBondContact OG-N 2.85Å; S267-D270 CarbonylContact O-C 3.48Å; S267-D270 PolarHBondContact O-N 2.77Å; S267-D271 PolarHBondContact O-N 3.33Å |
| 268 | R | 94 | Very high | 96.2 | Very high | 22 Ų | 22 | 39 Ų | 39 | 8% | 0.083 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -53.7 | -38 | 174 | 176.5 | 177.3 | -59.4 | -55.5 | -0.9 | 112.4 | W232 S233 L254 L255 P257 D270 D271 | W232-R268 VanDerWaalsContact CD2-NH1 3.29Å; W232-R268 VanDerWaalsContact CE2-NH1 3.3Å; W232-R268 HydrophobicContact CH2-CB 3.87Å; W232-R268 HydrophobicContact CH2-CG 4.49Å; W232-R268 VanDerWaalsContact CH2-CZ 3.45Å; W232-R268 HydrophobicContact CZ2-CB 3.92Å; W232-R268 HydrophobicContact CZ2-CG 4.34Å; S233-R268 PolarHBondContact O-NH1 2.94Å; L254-R268 PolarHBondContact O-NH2 3.08Å; L255-R268 VanDerWaalsContact C-NH2 3.3Å; L255-R268 PolarHBondContact O-NE 3.39Å; L255-R268 PolarHBondContact O-NH2 2.75Å; P257-R268 WeakPolarHBondContact O-CB 3.48Å; P257-R268 PolarHBondContact O-N 3.07Å; R268-D270 PolarHBondContact O-N 3.08Å; R268-D271 PolarHBondContact O-N 2.72Å |
| 269 | D | 93.8 | Very high | 96.2 | Very high | 125 Ų | 125 | 40.1 Ų | 40.1 | 67% | 0.668 | 21% | 0.208 | S | C | * | . | G | 310 helix | trans | -70.1 | -20.2 | -177.6 | -72.3 | -26.3 | 0 | 0 | 0 | 112.8 | K128 S267 | K128-D269 WeakPolarHBondContact CD-O 3.31Å; K128-D269 WeakPolarHBondContact CE-O 3.39Å; K128-D269 PolarHBondContact NZ-O 2.87Å; S267-D269 PolarHBondContact O-N 2.84Å; S267-D269 PolarHBondContact OG-N 2.85Å |
| 270 | D | 96 | Very high | 95.9 | Very high | 61 Ų | 61 | 42.3 Ų | 42.3 | 33% | 0.326 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -103.4 | 18 | 175.1 | -77.9 | -47.6 | 0 | 0 | 0 | 112.7 | P21 R22 K128 A129 S267 R268 | P21-D270 HydrophobicContact CB-CB 4.22Å; R22-D270 IonicContact CZ-OD1 3.31Å; R22-D270 IonicContact NH2-OD1 2.81Å; R22-D270 PolarHBondContact NH2-OD1 3.17Å; K128-D270 WeakPolarHBondContact CB-O 3.35Å; A129-D270 WeakPolarHBondContact CB-O 3.46Å; A129-D270 PolarHBondContact N-O 3.01Å; S267-D270 CarbonylContact O-C 3.48Å; S267-D270 PolarHBondContact O-N 2.77Å; R268-D270 PolarHBondContact O-N 3.08Å |
| 271 | D | 96.8 | Very high | 95.4 | Very high | 12 Ų | 12 | 44.8 Ų | 44.8 | 6% | 0.064 | 25% | 0.249 | C | C | . | . | B | Isolated β-bridge | trans | -129.1 | 124.8 | -178.2 | -168.3 | 0.5 | 0 | 0 | 0 | 112.3 | Y18 A129 W232 I266 S267 R268 S273 | Y18-D271 PolarHBondContact OH-OD2 2.88Å; A129-D271 HydrophobicContact CB-CB 4.23Å; W232-D271 PolarHBondContact NE1-OD2 3.34Å; I266-D271 HydrophobicContact CG2-CB 3.94Å; S267-D271 PolarHBondContact O-N 3.33Å; R268-D271 PolarHBondContact O-N 2.72Å; D271-S273 WeakPolarHBondContact OD1-CB 3.44Å; D271-S273 PolarHBondContact OD1-N 2.96Å; D271-S273 PolarHBondContact OD1-OG 3.44Å; D271-S273 PolarHBondContact OD2-OG 2.86Å |
| 272 | T | 96.7 | Very high | 95.2 | Very high | 40 Ų | 40 | 50.7 Ų | 50.7 | 25% | 0.245 | 29% | 0.285 | C | S | . | . | trans | -101.7 | -4.4 | 176.3 | 64.9 | 0 | 0 | 0 | 0 | 113 | T106 K128 A129 R274 | T106-T272 WeakPolarHBondContact CB-O 3.47Å; T106-T272 PolarHBondContact OG1-OG1 2.85Å; T106-T272 VanDerWaalsContact OG1-OG1 3.08Å; K128-T272 HydrophobicContact CB-CG2 3.79Å; K128-T272 HydrophobicContact CD-CG2 4Å; K128-T272 HydrophobicContact CG-CG2 4.49Å; A129-T272 PolarHBondContact O-N 3.41Å; A129-T272 PolarHBondContact O-OG1 3.34Å; T272-R274 PolarHBondContact O-NH1 3.19Å | ||
| 273 | S | 97.2 | Very high | 95.2 | Very high | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.007 | 28% | 0.278 | C | S | . | . | trans | -62.9 | 148.4 | 178 | 73.9 | 0 | 0 | 0 | 0 | 111.2 | Y18 D271 | Y18-S273 PolarHBondContact OH-OG 3.38Å; D271-S273 WeakPolarHBondContact OD1-CB 3.44Å; D271-S273 PolarHBondContact OD1-N 2.96Å; D271-S273 PolarHBondContact OD1-OG 3.44Å; D271-S273 PolarHBondContact OD2-OG 2.86Å | ||
| 274 | R | 97.6 | Very high | 95.4 | Very high | 28 Ų | 28 | 42.3 Ų | 42.3 | 11% | 0.106 | 25% | 0.249 | C | C | . | . | trans | -137 | 122.7 | 173.2 | -58.9 | 159.2 | -178.1 | 94.7 | -4.3 | 107.1 | W232 T272 S289 N290 D292 | W232-R274 VanDerWaalsContact O-CA 3.32Å; W232-R274 WeakPolarHBondContact O-CA 3.34Å; T272-R274 PolarHBondContact O-NH1 3.19Å; R274-S289 WeakPolarHBondContact CB-O 3.44Å; R274-S289 PolarHBondContact O-N 3Å; R274-N290 VanDerWaalsContact CD-C 3.45Å; R274-D292 WeakPolarHBondContact CD-OD1 3.32Å; R274-D292 WeakPolarHBondContact CG-OD1 3.18Å; R274-D292 IonicContact CZ-OD1 3.79Å; R274-D292 IonicContact CZ-OD2 3.51Å; R274-D292 IonicContact NE-OD1 3.53Å; R274-D292 PolarHBondContact NE-OD1 2.89Å; R274-D292 IonicContact NE-OD2 3.45Å; R274-D292 PolarHBondContact NE-OD2 3.29Å; R274-D292 VanDerWaalsContact NE-OD2 3.13Å; R274-D292 IonicContact NH2-OD1 2.81Å; R274-D292 IonicContact NH2-OD2 3.36Å; R274-D292 PolarHBondContact NH2-OD2 3.04Å | ||
| 275 | W | 98.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 159.6 | -177.5 | 55.2 | -97 | 0 | 0 | 0 | 110.5 | Y18 L131 W232 L254 V259 I277 F286 C287 F316 V319 A320 | Y18-W275 AromaticContact CE2-NE1 3.99Å; L131-W275 HydrophobicContact CD2-CB 4.18Å; W232-W275 HydrophobicContact CB-CD2 3.7Å; W232-W275 HydrophobicContact CB-CE3 4.16Å; W232-W275 HydrophobicContact CB-CG 4.22Å; W232-W275 HydrophobicContact CB-CH2 3.98Å; W232-W275 HydrophobicContact CB-CZ2 3.5Å; W232-W275 HydrophobicContact CB-CZ3 4.28Å; W232-W275 AromaticContact CD1-CD1 3.78Å; W232-W275 AromaticContact CD1-CE2 3.8Å; W232-W275 AromaticContact CD1-NE1 3.22Å; W232-W275 HydrophobicContact CD2-CZ2 4.38Å; W232-W275 HydrophobicContact CG-CD2 4.43Å; W232-W275 AromaticContact CG-CE2 3.66Å; W232-W275 AromaticContact CG-CZ2 3.79Å; W232-W275 HydrophobicContact CG-CZ2 3.79Å; W232-W275 AromaticContact CG-NE1 3.58Å; W232-W275 PolarHBondContact N-O 2.98Å; W232-W275 PolarHBondContact O-N 3.38Å; L254-W275 HydrophobicContact CD1-CH2 3.6Å; L254-W275 HydrophobicContact CD1-CZ2 4.36Å; L254-W275 HydrophobicContact CD1-CZ3 3.92Å; V259-W275 HydrophobicContact CG1-CZ2 4.08Å; W275-I277 HydrophobicContact CE3-CG2 4.33Å; W275-I277 HydrophobicContact CZ3-CD1 4.49Å; W275-I277 HydrophobicContact CZ3-CG1 4.44Å; W275-I277 HydrophobicContact CZ3-CG2 4.23Å; W275-F286 HydrophobicContact CB-CE2 3.83Å; W275-F286 HydrophobicContact CB-CZ 4.21Å; W275-F286 HydrophobicContact CD2-CE2 4.38Å; W275-F286 HydrophobicContact CE3-CE2 4.38Å; W275-F286 HydrophobicContact CG-CE2 4.19Å; W275-C287 CarbonylContact C-O 3.58Å; W275-C287 WeakPolarHBondContact CA-O 3.46Å; W275-C287 WeakPolarHBondContact CB-O 3.28Å; W275-F316 AromaticContact CD2-CD1 3.93Å; W275-F316 HydrophobicContact CD2-CD1 3.93Å; W275-F316 HydrophobicContact CD2-CE1 4.34Å; W275-F316 HydrophobicContact CE3-CD1 4.03Å; W275-F316 HydrophobicContact CG-CD1 4.46Å; W275-F316 HydrophobicContact CG-CE1 4.45Å; W275-F316 HydrophobicContact CH2-CD1 4.35Å; W275-F316 HydrophobicContact CZ2-CD1 4.24Å; W275-F316 HydrophobicContact CZ3-CB 4.34Å; W275-F316 HydrophobicContact CZ3-CD1 4.25Å; W275-V319 HydrophobicContact CH2-CG1 4.41Å; W275-V319 HydrophobicContact CZ2-CG1 3.91Å; W275-A320 HydrophobicContact CH2-CB 4.01Å |
| 276 | A | 98.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 152 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y217 L229 N230 V231 C287 | Y217-A276 HydrophobicContact CD1-CB 4.35Å; Y217-A276 HydrophobicContact CE1-CB 4.07Å; L229-A276 HydrophobicContact CD2-CB 4.45Å; N230-A276 WeakPolarHBondContact O-CA 3.24Å; V231-A276 HydrophobicContact CG2-CB 4.05Å; A276-C287 HydrophobicContact CB-CB 4.36Å; A276-C287 PolarHBondContact N-O 3.27Å; A276-C287 WeakPolarHBondContact O-CB 3.27Å; A276-C287 PolarHBondContact O-N 3.3Å |
| 277 | I | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 144.4 | 170 | 56.6 | 179.6 | 0 | 0 | 0 | 109.3 | L229 N230 W275 L285 F286 R313 F316 Q317 | L229-I277 CarbonylContact C-O 3.57Å; L229-I277 WeakPolarHBondContact CA-O 3.37Å; N230-I277 HydrophobicContact CB-CD1 4.49Å; N230-I277 HydrophobicContact CB-CG1 3.93Å; N230-I277 PolarHBondContact N-O 2.81Å; N230-I277 PolarHBondContact O-N 2.79Å; W275-I277 HydrophobicContact CE3-CG2 4.33Å; W275-I277 HydrophobicContact CZ3-CD1 4.49Å; W275-I277 HydrophobicContact CZ3-CG1 4.44Å; W275-I277 HydrophobicContact CZ3-CG2 4.23Å; I277-L285 VanDerWaalsContact CA-O 3.31Å; I277-L285 WeakPolarHBondContact CA-O 3.38Å; I277-F286 HydrophobicContact CG2-CD2 4Å; I277-R313 HydrophobicContact CB-CG 4.08Å; I277-R313 HydrophobicContact CG2-CG 4.3Å; I277-F316 HydrophobicContact CG2-CB 3.67Å; I277-Q317 HydrophobicContact CD1-CB 3.91Å; I277-Q317 HydrophobicContact CD1-CG 4.48Å; I277-Q317 VanDerWaalsContact CD1-OE1 3.24Å |
| 278 | T | 98 | Very high | 95.9 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 150.2 | 172.5 | 50.1 | 0 | 0 | 0 | 0 | 112 | A227 G228 L229 L283 L285 | A227-T278 HydrophobicContact CB-CG2 3.8Å; G228-T278 CarbonylContact O-C 3.5Å; G228-T278 WeakPolarHBondContact O-CA 3.16Å; L229-T278 HydrophobicContact CD2-CG2 3.74Å; T278-L283 WeakPolarHBondContact CB-O 3.45Å; T278-L283 PolarHBondContact OG1-O 3.19Å; T278-L285 HydrophobicContact CG2-CB 3.8Å; T278-L285 HydrophobicContact CG2-CD1 3.93Å; T278-L285 HydrophobicContact CG2-CG 3.89Å; T278-L285 PolarHBondContact N-O 3.22Å; T278-L285 VanDerWaalsContact N-O 3.15Å; T278-L285 PolarHBondContact OG1-N 2.93Å |
| 279 | T | 94.1 | Very high | 96.1 | Very high | 46 Ų | 46 | 32.6 Ų | 32.6 | 28% | 0.282 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -94.2 | 143.7 | 171.1 | 63.2 | 0 | 0 | 0 | 0 | 110.2 | G228 | G228-T279 WeakPolarHBondContact CA-OG1 3.23Å; G228-T279 PolarHBondContact O-N 2.68Å; G228-T279 PolarHBondContact O-OG1 3.05Å |
| 280 | G | 89.7 | Confident | 96.2 | Very high | 47 Ų | 47 | 27.5 Ų | 27.5 | 49% | 0.485 | 17% | 0.166 | S | C | . | . | S | Bend | trans | 82.4 | -176.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 281 | N | 88.1 | Confident | 96.2 | Very high | 145 Ų | 145 | 24.7 Ų | 24.7 | 78% | 0.775 | 15% | 0.151 | S | C | * | . | S | Bend | trans | -112.5 | -3.6 | -171.4 | -65.3 | -21.3 | 0 | 0 | 0 | 113.9 | ||
| 282 | T | 90.3 | Very high | 96.1 | Very high | 123 Ų | 123 | 24.1 Ų | 24.1 | 76% | 0.755 | 15% | 0.148 | S | C | * | . | S | Bend | trans | -70.6 | -34.1 | -174.2 | 48.9 | 0 | 0 | 0 | 0 | 113.1 | ||
| 283 | L | 95.9 | Very high | 96 | Very high | 21 Ų | 21 | 22.3 Ų | 22.3 | 11% | 0.11 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -146.6 | 85.1 | 178.7 | -172.3 | 71.7 | 0 | 0 | 0 | 109 | A225 T278 L285 E308 | A225-L283 HydrophobicContact CB-CD2 3.96Å; A225-L283 WeakPolarHBondContact O-CD2 3.26Å; T278-L283 WeakPolarHBondContact CB-O 3.45Å; T278-L283 PolarHBondContact OG1-O 3.19Å; L283-L285 HydrophobicContact CD1-CD2 4.33Å; L283-L285 HydrophobicContact CD2-CD1 3.86Å; L283-L285 HydrophobicContact CD2-CD2 4.44Å; L283-L285 HydrophobicContact CD2-CG 4.2Å; L283-L285 HydrophobicContact CG-CD1 4.16Å; L283-L285 HydrophobicContact CG-CD2 3.97Å; L283-L285 HydrophobicContact CG-CG 3.93Å; L283-L285 PolarHBondContact O-N 3.24Å; L283-L285 VanDerWaalsContact O-N 3.15Å; L283-E308 HydrophobicContact CD1-CG 4.36Å; L283-E308 WeakPolarHBondContact CD1-OE2 3.39Å |
| 284 | P | 96.8 | Very high | 95.8 | Very high | 21 Ų | 21 | 25.4 Ų | 25.4 | 14% | 0.136 | 15% | 0.148 | C | C | . | . | trans | -79.5 | 99 | -173.7 | 31.3 | -33.6 | 0 | 0 | 0 | 111.3 | E308 N309 A310 R313 | P284-E308 WeakPolarHBondContact O-CA 3.5Å; P284-N309 PolarHBondContact O-N 2.93Å; P284-A310 HydrophobicContact CB-CB 4.18Å; P284-A310 HydrophobicContact CG-CB 4Å; P284-R313 HydrophobicContact CB-CB 4.27Å; P284-R313 HydrophobicContact CB-CG 4.45Å | ||
| 285 | L | 98.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 133.8 | -178.6 | -54.3 | -178.7 | 0 | 0 | 0 | 110.3 | A225 I277 T278 L283 C306 I307 E308 R313 | A225-L285 HydrophobicContact CB-CD1 4.5Å; I277-L285 VanDerWaalsContact CA-O 3.31Å; I277-L285 WeakPolarHBondContact CA-O 3.38Å; T278-L285 HydrophobicContact CG2-CB 3.8Å; T278-L285 HydrophobicContact CG2-CD1 3.93Å; T278-L285 HydrophobicContact CG2-CG 3.89Å; T278-L285 PolarHBondContact N-O 3.22Å; T278-L285 VanDerWaalsContact N-O 3.15Å; T278-L285 PolarHBondContact OG1-N 2.93Å; L283-L285 HydrophobicContact CD1-CD2 4.33Å; L283-L285 HydrophobicContact CD2-CD1 3.86Å; L283-L285 HydrophobicContact CD2-CD2 4.44Å; L283-L285 HydrophobicContact CD2-CG 4.2Å; L283-L285 HydrophobicContact CG-CD1 4.16Å; L283-L285 HydrophobicContact CG-CD2 3.97Å; L283-L285 HydrophobicContact CG-CG 3.93Å; L283-L285 PolarHBondContact O-N 3.24Å; L283-L285 VanDerWaalsContact O-N 3.15Å; L285-C306 HydrophobicContact CB-CB 4.16Å; L285-C306 HydrophobicContact CD1-CB 4.2Å; L285-C306 HydrophobicContact CD2-CB 4.42Å; L285-C306 HydrophobicContact CG-CB 4.5Å; L285-I307 WeakPolarHBondContact CA-O 3.26Å; L285-E308 HydrophobicContact CD2-CB 3.75Å; L285-E308 HydrophobicContact CD2-CG 3.97Å; L285-R313 WeakPolarHBondContact O-CG 3.21Å |
| 286 | F | 98.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 130.5 | 154 | 167.8 | -104.8 | 0 | 0 | 0 | 108.7 | I16 L131 M133 W275 I277 V288 C306 I307 L312 F316 | I16-F286 HydrophobicContact CD1-CD1 3.73Å; I16-F286 HydrophobicContact CD1-CE1 3.44Å; I16-F286 VanDerWaalsContact CD1-CE1 3.44Å; I16-F286 HydrophobicContact CD1-CZ 4.49Å; I16-F286 HydrophobicContact CG1-CE1 4.25Å; L131-F286 HydrophobicContact CD2-CZ 4.17Å; M133-F286 HydrophobicContact CE-CD1 4.02Å; M133-F286 HydrophobicContact CE-CE1 3.64Å; W275-F286 HydrophobicContact CB-CE2 3.83Å; W275-F286 HydrophobicContact CB-CZ 4.21Å; W275-F286 HydrophobicContact CD2-CE2 4.38Å; W275-F286 HydrophobicContact CE3-CE2 4.38Å; W275-F286 HydrophobicContact CG-CE2 4.19Å; I277-F286 HydrophobicContact CG2-CD2 4Å; F286-V288 HydrophobicContact CE1-CG2 3.88Å; F286-V288 HydrophobicContact CZ-CG2 3.98Å; F286-C306 CarbonylContact O-C 3.6Å; F286-C306 WeakPolarHBondContact O-CA 3.35Å; F286-I307 PolarHBondContact N-O 3.07Å; F286-I307 VanDerWaalsContact N-O 3.07Å; F286-I307 PolarHBondContact O-N 3.23Å; F286-L312 HydrophobicContact CB-CD2 3.89Å; F286-L312 HydrophobicContact CB-CG 3.74Å; F286-L312 HydrophobicContact CD1-CD1 4.41Å; F286-L312 HydrophobicContact CD1-CD2 3.77Å; F286-L312 HydrophobicContact CD1-CG 4.02Å; F286-L312 HydrophobicContact CG-CD2 4.17Å; F286-L312 HydrophobicContact CG-CG 4.03Å; F286-F316 HydrophobicContact CD1-CD2 4.41Å; F286-F316 HydrophobicContact CD1-CE2 4.29Å; F286-F316 HydrophobicContact CD2-CB 3.79Å; F286-F316 AromaticContact CD2-CD1 3.84Å; F286-F316 HydrophobicContact CD2-CD1 3.84Å; F286-F316 AromaticContact CD2-CD2 3.42Å; F286-F316 HydrophobicContact CD2-CD2 3.42Å; F286-F316 VanDerWaalsContact CD2-CD2 3.42Å; F286-F316 HydrophobicContact CD2-CE1 4.26Å; F286-F316 AromaticContact CD2-CE2 3.9Å; F286-F316 HydrophobicContact CD2-CE2 3.9Å; F286-F316 AromaticContact CD2-CG 3.38Å; F286-F316 HydrophobicContact CD2-CG 3.38Å; F286-F316 HydrophobicContact CD2-CZ 4.29Å; F286-F316 HydrophobicContact CE1-CD2 4.4Å; F286-F316 AromaticContact CE1-CE2 3.92Å; F286-F316 HydrophobicContact CE1-CE2 3.92Å; F286-F316 HydrophobicContact CE1-CZ 4.08Å; F286-F316 HydrophobicContact CE2-CB 4.11Å; F286-F316 AromaticContact CE2-CD1 3.25Å; F286-F316 HydrophobicContact CE2-CD1 3.25Å; F286-F316 AromaticContact CE2-CD2 3.43Å; F286-F316 HydrophobicContact CE2-CD2 3.43Å; F286-F316 VanDerWaalsContact CE2-CD2 3.43Å; F286-F316 AromaticContact CE2-CE1 3.32Å; F286-F316 HydrophobicContact CE2-CE1 3.32Å; F286-F316 AromaticContact CE2-CE2 3.51Å; F286-F316 HydrophobicContact CE2-CE2 3.51Å; F286-F316 AromaticContact CE2-CG 3.29Å; F286-F316 HydrophobicContact CE2-CG 3.29Å; F286-F316 AromaticContact CE2-CZ 3.45Å; F286-F316 HydrophobicContact CE2-CZ 3.45Å; F286-F316 VanDerWaalsContact CE2-CZ 3.45Å; F286-F316 AromaticContact CG-CD2 3.93Å; F286-F316 HydrophobicContact CG-CD2 3.93Å; F286-F316 HydrophobicContact CG-CE2 4.26Å; F286-F316 HydrophobicContact CG-CG 4.32Å; F286-F316 HydrophobicContact CZ-CD1 4Å; F286-F316 AromaticContact CZ-CD2 3.92Å; F286-F316 HydrophobicContact CZ-CD2 3.92Å; F286-F316 AromaticContact CZ-CE1 3.57Å; F286-F316 HydrophobicContact CZ-CE1 3.57Å; F286-F316 AromaticContact CZ-CE2 3.49Å; F286-F316 HydrophobicContact CZ-CE2 3.49Å; F286-F316 VanDerWaalsContact CZ-CE2 3.49Å; F286-F316 HydrophobicContact CZ-CG 4.15Å; F286-F316 AromaticContact CZ-CZ 3.3Å; F286-F316 HydrophobicContact CZ-CZ 3.3Å |
| 287 | C | 98.7 | Very high | 95 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.007 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 137 | -174.2 | -53.4 | 0 | 0 | 0 | 0 | 112.3 | W275 A276 V304 V305 C306 | W275-C287 CarbonylContact C-O 3.58Å; W275-C287 WeakPolarHBondContact CA-O 3.46Å; W275-C287 WeakPolarHBondContact CB-O 3.28Å; A276-C287 HydrophobicContact CB-CB 4.36Å; A276-C287 PolarHBondContact N-O 3.27Å; A276-C287 WeakPolarHBondContact O-CB 3.27Å; A276-C287 PolarHBondContact O-N 3.3Å; C287-V304 HydrophobicContact CB-CG1 3.54Å; C287-V305 CarbonylContact C-O 3.57Å; C287-V305 VanDerWaalsContact CA-O 3.23Å; C287-V305 WeakPolarHBondContact CA-O 3.34Å; C287-C306 HydrophobicContact CB-CB 4Å; C287-C306 WeakPolarHBondContact CB-SG 3.12Å; C287-C306 WeakPolarHBondContact SG-CB 3.46Å; C287-C306 CovalentContact SG-SG 2.03Å; C287-C306 PolarHBondContact SG-SG 2.85Å |
| 288 | V | 98.5 | Very high | 94.8 | Very high | 7 Ų | 7 | 37.6 Ų | 37.6 | 4% | 0.042 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 140.3 | 165 | 178.7 | 0 | 0 | 0 | 0 | 108.9 | L131 M133 F286 V304 V305 | L131-V288 HydrophobicContact CD2-CB 4.41Å; L131-V288 HydrophobicContact CD2-CG1 4.17Å; L131-V288 HydrophobicContact CD2-CG2 3.55Å; L131-V288 HydrophobicContact CG-CG2 4.21Å; M133-V288 HydrophobicContact CB-CG2 4.17Å; M133-V288 HydrophobicContact CE-CB 4.27Å; M133-V288 HydrophobicContact CE-CG2 3.37Å; M133-V288 HydrophobicContact SD-CB 4.27Å; M133-V288 HydrophobicContact SD-CG2 3.9Å; F286-V288 HydrophobicContact CE1-CG2 3.88Å; F286-V288 HydrophobicContact CZ-CG2 3.98Å; V288-V304 CarbonylContact O-C 3.58Å; V288-V304 WeakPolarHBondContact O-CA 3.37Å; V288-V305 PolarHBondContact N-O 3.13Å; V288-V305 PolarHBondContact O-N 2.7Å |
| 289 | S | 98 | Very high | 94.7 | Very high | 7 Ų | 7 | 39.2 Ų | 39.2 | 5% | 0.049 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 165 | 177.9 | -170.8 | 0 | 0 | 0 | 0 | 111.7 | Y217 R274 A291 G303 V304 | Y217-S289 WeakPolarHBondContact OH-CB 3.44Å; Y217-S289 PolarHBondContact OH-OG 2.79Å; R274-S289 WeakPolarHBondContact CB-O 3.44Å; R274-S289 PolarHBondContact O-N 3Å; S289-A291 PolarHBondContact OG-N 2.96Å; S289-G303 WeakPolarHBondContact CA-O 3.34Å; S289-G303 PolarHBondContact OG-O 3.29Å; S289-V304 WeakPolarHBondContact OG-CG2 3.08Å |
| 290 | N | 96.5 | Very high | 94.7 | Very high | 17 Ų | 17 | 37.7 Ų | 37.7 | 9% | 0.091 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -109 | 1.6 | 165.1 | 58.9 | 30 | 0 | 0 | 0 | 112.2 | P88 S89 R274 S302 G303 | P88-N290 HydrophobicContact CB-CB 4.31Å; P88-N290 WeakPolarHBondContact CB-O 3.34Å; P88-N290 HydrophobicContact CG-CB 4.06Å; P88-N290 WeakPolarHBondContact CG-O 3.11Å; S89-N290 PolarHBondContact OG-ND2 3.14Å; R274-N290 VanDerWaalsContact CD-C 3.45Å; N290-S302 WeakPolarHBondContact OD1-CA 3.45Å; N290-S302 WeakPolarHBondContact OD1-CB 3.11Å; N290-G303 PolarHBondContact N-O 2.82Å; N290-G303 PolarHBondContact ND2-N 3.19Å; N290-G303 PolarHBondContact OD1-N 3Å; N290-G303 PolarHBondContact OD1-O 2.9Å |
| 291 | A | 95.8 | Very high | 95.1 | Very high | 2 Ų | 2 | 35.6 Ų | 35.6 | 2% | 0.017 | 19% | 0.191 | C | C | . | . | trans | -97.2 | 134.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | I216 Y217 S289 | I216-A291 HydrophobicContact CG2-CB 3.67Å; Y217-A291 HydrophobicContact CE2-CB 3.79Å; Y217-A291 WeakPolarHBondContact CE2-O 3.37Å; Y217-A291 PolarHBondContact OH-O 3.41Å; S289-A291 PolarHBondContact OG-N 2.96Å | ||
| 292 | D | 95.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.154 | C | C | . | . | trans | -89.9 | 155.6 | 165.7 | -67.8 | -50.6 | 0 | 0 | 0 | 111.5 | S233 S234 R274 R294 H297 | S233-D292 WeakPolarHBondContact CB-OD1 3.48Å; S234-D292 WeakPolarHBondContact CB-OD1 3.14Å; S234-D292 PolarHBondContact N-OD1 3.05Å; R274-D292 WeakPolarHBondContact CD-OD1 3.32Å; R274-D292 WeakPolarHBondContact CG-OD1 3.18Å; R274-D292 IonicContact CZ-OD1 3.79Å; R274-D292 IonicContact CZ-OD2 3.51Å; R274-D292 IonicContact NE-OD1 3.53Å; R274-D292 PolarHBondContact NE-OD1 2.89Å; R274-D292 IonicContact NE-OD2 3.45Å; R274-D292 PolarHBondContact NE-OD2 3.29Å; R274-D292 VanDerWaalsContact NE-OD2 3.13Å; R274-D292 IonicContact NH2-OD1 2.81Å; R274-D292 IonicContact NH2-OD2 3.36Å; R274-D292 PolarHBondContact NH2-OD2 3.04Å; D292-R294 HydrophobicContact CB-CB 4.42Å; D292-R294 HydrophobicContact CB-CG 3.96Å; D292-R294 VanDerWaalsContact CB-NE 3.3Å; D292-R294 PolarHBondContact O-N 2.84Å; D292-R294 IonicContact OD2-CZ 3.76Å; D292-R294 IonicContact OD2-NE 3.2Å; D292-R294 PolarHBondContact OD2-NE 3Å; D292-R294 IonicContact OD2-NH2 3.67Å; D292-R294 PolarHBondContact OD2-NH2 3.14Å; D292-H297 PolarHBondContact N-ND1 3.29Å; D292-H297 WeakPolarHBondContact O-CB 3.34Å; D292-H297 IonicContact OD2-CE1 2.67Å; D292-H297 PolarHBondContact OD2-CE1 2.8Å; D292-H297 VanDerWaalsContact OD2-CE1 3.31Å; D292-H297 IonicContact OD2-NE2 2.8Å | ||
| 293 | R | 94.6 | Very high | 95.9 | Very high | 3 Ų | 3 | 22.9 Ų | 22.9 | 1% | 0.011 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -76.4 | 59.7 | 171.8 | -67.1 | -70.8 | -60 | 138.1 | -7 | 111.3 | D215 Y217 V231 S233 K240 L241 P242 N253 | D215-R293 IonicContact OD1-NH1 3Å; D215-R293 PolarHBondContact OD1-NH1 2.87Å; D215-R293 IonicContact OD2-CZ 3.33Å; D215-R293 IonicContact OD2-NH1 2.77Å; D215-R293 PolarHBondContact OD2-NH1 3.24Å; Y217-R293 VanDerWaalsContact CD2-CD 3.49Å; Y217-R293 HydrophobicContact CD2-CG 4.38Å; Y217-R293 HydrophobicContact CE2-CG 4.37Å; V231-R293 HydrophobicContact CB-CG 4.12Å; V231-R293 HydrophobicContact CG1-CG 3.68Å; S233-R293 WeakPolarHBondContact OG-CG 3.15Å; S233-R293 PolarHBondContact OG-N 3.02Å; K240-R293 CarbonylContact C-O 3.48Å; K240-R293 WeakPolarHBondContact CA-O 3.41Å; L241-R293 PolarHBondContact N-O 2.87Å; P242-R293 PolarHBondContact O-NH2 2.97Å; N253-R293 VanDerWaalsContact OD1-CG 3.25Å; N253-R293 WeakPolarHBondContact OD1-CG 3.45Å; N253-R293 PolarHBondContact OD1-NE 3.25Å |
| 294 | R | 93.1 | Very high | 96 | Very high | 65 Ų | 65 | 22 Ų | 22 | 25% | 0.245 | 11% | 0.114 | C | C | . | . | B | Isolated β-bridge | trans | -129.7 | 146 | -176.2 | -63.9 | -175.3 | -68 | 171.2 | -5.8 | 111.4 | M239 D292 S296 H297 | M239-R294 WeakPolarHBondContact O-CA 3.42Å; D292-R294 HydrophobicContact CB-CB 4.42Å; D292-R294 HydrophobicContact CB-CG 3.96Å; D292-R294 VanDerWaalsContact CB-NE 3.3Å; D292-R294 PolarHBondContact O-N 2.84Å; D292-R294 IonicContact OD2-CZ 3.76Å; D292-R294 IonicContact OD2-NE 3.2Å; D292-R294 PolarHBondContact OD2-NE 3Å; D292-R294 IonicContact OD2-NH2 3.67Å; D292-R294 PolarHBondContact OD2-NH2 3.14Å; R294-S296 PolarHBondContact O-N 3.37Å; R294-H297 PolarHBondContact NH2-NE2 3.32Å; R294-H297 PolarHBondContact O-N 3.48Å |
| 295 | R | 92 | Very high | 96.1 | Very high | 165 Ų | 165 | 21.1 Ų | 21.1 | 62% | 0.623 | 11% | 0.109 | S | C | * | . | G | 310 helix | trans | -59.1 | -35.5 | 178.9 | -174 | 176.3 | 179.9 | 176 | 0.8 | 112.5 | M239 L241 H297 T298 | M239-R295 HydrophobicContact CB-CB 4.2Å; M239-R295 PolarHBondContact O-N 3.32Å; M239-R295 VanDerWaalsContact O-N 3.11Å; L241-R295 HydrophobicContact CD2-CB 4.34Å; R295-H297 PolarHBondContact O-N 2.82Å; R295-T298 PolarHBondContact O-N 2.9Å; R295-T298 PolarHBondContact O-OG1 3.13Å |
| 296 | S | 91.7 | Very high | 96.2 | Very high | 68 Ų | 68 | 21.1 Ų | 21.1 | 48% | 0.476 | 11% | 0.109 | S | C | . | . | G | 310 helix | trans | -62 | -30.1 | 176.2 | 51.7 | 0 | 0 | 0 | 0 | 113 | R294 T298 A299 | R294-S296 PolarHBondContact O-N 3.37Å; S296-T298 VanDerWaalsContact C-N 3.26Å; S296-T298 PolarHBondContact O-N 3.32Å; S296-A299 PolarHBondContact O-N 3.22Å |
| 297 | H | 94 | Very high | 96.1 | Very high | 21 Ų | 21 | 21.1 Ų | 21.1 | 10% | 0.097 | 11% | 0.109 | C | C | . | . | G | 310 helix | trans | -77.6 | -9.7 | -178.3 | -79.5 | -121.9 | 0 | 0 | 0 | 113.9 | K208 D292 R294 R295 V300 | K208-H297 PolarHBondContact NZ-O 2.82Å; D292-H297 PolarHBondContact N-ND1 3.29Å; D292-H297 WeakPolarHBondContact O-CB 3.34Å; D292-H297 IonicContact OD2-CE1 2.67Å; D292-H297 PolarHBondContact OD2-CE1 2.8Å; D292-H297 VanDerWaalsContact OD2-CE1 3.31Å; D292-H297 IonicContact OD2-NE2 2.8Å; R294-H297 PolarHBondContact NH2-NE2 3.32Å; R294-H297 PolarHBondContact O-N 3.48Å; R295-H297 PolarHBondContact O-N 2.82Å; H297-V300 HydrophobicContact CB-CG2 4.28Å |
| 298 | T | 94.6 | Very high | 96 | Very high | 30 Ų | 30 | 24 Ų | 24 | 18% | 0.184 | 12% | 0.122 | C | C | . | . | G | 310 helix | trans | -70.2 | -26 | 169.2 | 70.7 | 0 | 0 | 0 | 0 | 111.2 | H213 L214 D215 L241 R295 S296 | H213-T298 CarbonylContact C-O 3.6Å; H213-T298 WeakPolarHBondContact CA-O 3.44Å; L214-T298 PolarHBondContact N-O 3.16Å; L214-T298 WeakPolarHBondContact O-CA 3.44Å; D215-T298 HydrophobicContact CB-CG2 4.35Å; L241-T298 HydrophobicContact CD1-CG2 3.98Å; R295-T298 PolarHBondContact O-N 2.9Å; R295-T298 PolarHBondContact O-OG1 3.13Å; S296-T298 VanDerWaalsContact C-N 3.26Å; S296-T298 PolarHBondContact O-N 3.32Å |
| 299 | A | 94.4 | Very high | 95.8 | Very high | 35 Ų | 35 | 24.1 Ų | 24.1 | 29% | 0.289 | 12% | 0.122 | S | C | . | . | G | 310 helix | trans | -104.3 | 14.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | R210 S296 | R210-A299 WeakPolarHBondContact CG-O 3.45Å; R210-A299 PolarHBondContact NE-O 2.83Å; S296-A299 PolarHBondContact O-N 3.22Å |
| 300 | V | 95.3 | Very high | 95.7 | Very high | 14 Ų | 14 | 25.7 Ų | 25.7 | 9% | 0.085 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -118.6 | 160.6 | 167.1 | -57 | 0 | 0 | 0 | 0 | 108.2 | K208 H297 | K208-V300 PolarHBondContact NZ-O 2.94Å; H297-V300 HydrophobicContact CB-CG2 4.28Å |
| 301 | S | 97.3 | Very high | 95.7 | Very high | 2 Ų | 2 | 28.2 Ų | 28.2 | 1% | 0.014 | 15% | 0.147 | C | C | . | . | trans | -71.7 | 158.4 | 170.7 | 53.5 | 0 | 0 | 0 | 0 | 110.8 | S87 P88 Q152 K208 | S87-S301 WeakPolarHBondContact CB-OG 3.18Å; S87-S301 PolarHBondContact OG-OG 3.4Å; P88-S301 WeakPolarHBondContact CD-O 3.27Å; Q152-S301 WeakPolarHBondContact O-CB 3.22Å; Q152-S301 PolarHBondContact O-OG 3.21Å; K208-S301 CarbonylContact O-C 3.41Å; K208-S301 VanDerWaalsContact O-CA 3.26Å; K208-S301 WeakPolarHBondContact O-CA 3.39Å; K208-S301 VanDerWaalsContact O-CB 3.31Å; K208-S301 WeakPolarHBondContact O-CB 3.35Å | ||
| 302 | S | 97.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 165 | 176.2 | 63.3 | 0 | 0 | 0 | 0 | 113.2 | S207 K208 I216 N290 | S207-S302 WeakPolarHBondContact CA-O 3.41Å; K208-S302 WeakPolarHBondContact CE-OG 3.05Å; K208-S302 VanDerWaalsContact CG-OG 3.27Å; K208-S302 WeakPolarHBondContact CG-OG 3.04Å; K208-S302 PolarHBondContact N-O 3.19Å; K208-S302 PolarHBondContact NZ-OG 2.61Å; K208-S302 PolarHBondContact O-N 3.03Å; I216-S302 WeakPolarHBondContact CD1-OG 3.2Å; N290-S302 WeakPolarHBondContact OD1-CA 3.45Å; N290-S302 WeakPolarHBondContact OD1-CB 3.11Å |
| 303 | G | 98.2 | Very high | 95.8 | Very high | 2 Ų | 2 | 29.6 Ų | 29.6 | 2% | 0.021 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 153.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y206 S289 N290 | Y206-G303 CarbonylContact O-C 3.37Å; Y206-G303 VanDerWaalsContact O-CA 3.31Å; Y206-G303 WeakPolarHBondContact O-CA 3.18Å; S289-G303 WeakPolarHBondContact CA-O 3.34Å; S289-G303 PolarHBondContact OG-O 3.29Å; N290-G303 PolarHBondContact N-O 2.82Å; N290-G303 PolarHBondContact ND2-N 3.19Å; N290-G303 PolarHBondContact OD1-N 3Å; N290-G303 PolarHBondContact OD1-O 2.9Å |
| 304 | V | 98.7 | Very high | 95.9 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.006 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 125.1 | 168.6 | -178.2 | 0 | 0 | 0 | 0 | 107.2 | L205 Y206 I216 Y217 V221 C287 V288 S289 | L205-V304 WeakPolarHBondContact CA-O 3.34Å; Y206-V304 HydrophobicContact CD2-CB 4.36Å; Y206-V304 HydrophobicContact CD2-CG1 4.45Å; Y206-V304 PolarHBondContact N-O 3.11Å; Y206-V304 PolarHBondContact O-N 2.74Å; I216-V304 HydrophobicContact CD1-CG2 3.87Å; I216-V304 HydrophobicContact CG1-CG2 4.04Å; I216-V304 HydrophobicContact CG2-CG2 4.09Å; Y217-V304 HydrophobicContact CD1-CG2 4.48Å; Y217-V304 HydrophobicContact CE1-CG2 4.09Å; V221-V304 HydrophobicContact CG2-CB 4.16Å; V221-V304 HydrophobicContact CG2-CG1 4.41Å; V221-V304 HydrophobicContact CG2-CG2 4.02Å; C287-V304 HydrophobicContact CB-CG1 3.54Å; V288-V304 CarbonylContact O-C 3.58Å; V288-V304 WeakPolarHBondContact O-CA 3.37Å; S289-V304 WeakPolarHBondContact OG-CG2 3.08Å |
| 305 | V | 98.6 | Very high | 96 | Very high | 4 Ų | 4 | 32.9 Ų | 32.9 | 2% | 0.024 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 121 | -178.5 | -177.4 | 0 | 0 | 0 | 0 | 107.8 | W102 L104 M133 I135 I203 R204 L205 C287 V288 | W102-V305 HydrophobicContact CH2-CB 4.41Å; W102-V305 HydrophobicContact CH2-CG1 4.1Å; W102-V305 HydrophobicContact CH2-CG2 3.44Å; W102-V305 VanDerWaalsContact CH2-CG2 3.44Å; W102-V305 HydrophobicContact CZ2-CG2 4.2Å; W102-V305 HydrophobicContact CZ3-CG1 3.8Å; W102-V305 HydrophobicContact CZ3-CG2 4.05Å; L104-V305 HydrophobicContact CD1-CB 3.84Å; L104-V305 HydrophobicContact CD1-CG1 3.91Å; L104-V305 HydrophobicContact CD1-CG2 3.67Å; M133-V305 HydrophobicContact SD-CG1 4.37Å; I135-V305 HydrophobicContact CD1-CG1 3.74Å; I203-V305 HydrophobicContact CG2-CG1 4.19Å; R204-V305 CarbonylContact O-C 3.03Å; R204-V305 WeakPolarHBondContact O-CA 3.15Å; L205-V305 HydrophobicContact CG-CG1 4.44Å; L205-V305 HydrophobicContact CG-CG2 4.38Å; C287-V305 CarbonylContact C-O 3.57Å; C287-V305 VanDerWaalsContact CA-O 3.23Å; C287-V305 WeakPolarHBondContact CA-O 3.34Å; V288-V305 PolarHBondContact N-O 3.13Å; V288-V305 PolarHBondContact O-N 2.7Å |
| 306 | C | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 144.3 | -170.7 | -54.2 | 0 | 0 | 0 | 0 | 111.8 | I203 R204 L285 F286 C287 | I203-C306 CarbonylContact C-O 3.57Å; I203-C306 WeakPolarHBondContact CA-O 3.45Å; R204-C306 HydrophobicContact CB-CB 4.26Å; R204-C306 PolarHBondContact N-O 2.87Å; R204-C306 PolarHBondContact O-N 2.93Å; L285-C306 HydrophobicContact CB-CB 4.16Å; L285-C306 HydrophobicContact CD1-CB 4.2Å; L285-C306 HydrophobicContact CD2-CB 4.42Å; L285-C306 HydrophobicContact CG-CB 4.5Å; F286-C306 CarbonylContact O-C 3.6Å; F286-C306 WeakPolarHBondContact O-CA 3.35Å; C287-C306 HydrophobicContact CB-CB 4Å; C287-C306 WeakPolarHBondContact CB-SG 3.12Å; C287-C306 WeakPolarHBondContact SG-CB 3.46Å; C287-C306 CovalentContact SG-SG 2.03Å; C287-C306 PolarHBondContact SG-SG 2.85Å |
| 307 | I | 97.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 125.8 | 167.8 | -54.5 | -179.1 | 0 | 0 | 0 | 107.3 | W14 I16 M133 F201 I203 L285 F286 N309 L312 | W14-I307 HydrophobicContact CB-CD1 4.22Å; W14-I307 HydrophobicContact CD2-CD1 3.59Å; W14-I307 HydrophobicContact CE3-CD1 3.91Å; W14-I307 HydrophobicContact CG-CD1 3.72Å; W14-I307 HydrophobicContact CZ2-CG2 4.42Å; I16-I307 HydrophobicContact CD1-CD1 4.41Å; M133-I307 HydrophobicContact CE-CD1 3.77Å; M133-I307 HydrophobicContact CE-CG1 4.11Å; M133-I307 HydrophobicContact SD-CD1 4.38Å; F201-I307 HydrophobicContact CB-CG2 4.41Å; I203-I307 HydrophobicContact CD1-CB 4.44Å; I203-I307 HydrophobicContact CD1-CG1 3.88Å; I203-I307 HydrophobicContact CD1-CG2 4.35Å; L285-I307 WeakPolarHBondContact CA-O 3.26Å; F286-I307 PolarHBondContact N-O 3.07Å; F286-I307 VanDerWaalsContact N-O 3.07Å; F286-I307 PolarHBondContact O-N 3.23Å; I307-N309 HydrophobicContact CG2-CB 4.22Å; I307-N309 PolarHBondContact O-N 2.82Å; I307-L312 HydrophobicContact CB-CD2 4.05Å; I307-L312 HydrophobicContact CD1-CD2 4.23Å; I307-L312 HydrophobicContact CG2-CD2 4.18Å |
| 308 | E | 96.1 | Very high | 96.6 | Very high | 60 Ų | 60 | 27.3 Ų | 27.3 | 28% | 0.28 | 15% | 0.152 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 102.4 | 171.1 | -167.6 | 172.2 | 156 | 0 | 0 | 109.9 | S202 R204 L283 P284 L285 | S202-E308 PolarHBondContact O-N 2.85Å; R204-E308 IonicContact CZ-OE2 3.6Å; R204-E308 IonicContact NE-OE2 3.55Å; R204-E308 PolarHBondContact NE-OE2 3.06Å; R204-E308 IonicContact NH2-OE2 2.75Å; R204-E308 PolarHBondContact NH2-OE2 2.61Å; L283-E308 HydrophobicContact CD1-CG 4.36Å; L283-E308 WeakPolarHBondContact CD1-OE2 3.39Å; P284-E308 WeakPolarHBondContact O-CA 3.5Å; L285-E308 HydrophobicContact CD2-CB 3.75Å; L285-E308 HydrophobicContact CD2-CG 3.97Å |
| 309 | N | 95 | Very high | 96.7 | Very high | 10 Ų | 10 | 26 Ų | 26 | 5% | 0.053 | 14% | 0.144 | C | C | . | . | trans | -160.2 | 122.1 | 179.1 | -178.7 | -71.3 | 0 | 0 | 0 | 109.6 | T33 P35 P284 I307 E311 L312 R313 | T33-N309 PolarHBondContact O-ND2 3.48Å; P35-N309 WeakPolarHBondContact CG-OD1 3.36Å; P284-N309 PolarHBondContact O-N 2.93Å; I307-N309 HydrophobicContact CG2-CB 4.22Å; I307-N309 PolarHBondContact O-N 2.82Å; N309-E311 PolarHBondContact OD1-N 3.31Å; N309-E311 PolarHBondContact OD1-OE2 3.06Å; N309-L312 HydrophobicContact CB-CB 3.87Å; N309-L312 VanDerWaalsContact OD1-CB 3.29Å; N309-L312 WeakPolarHBondContact OD1-CB 3.43Å; N309-L312 PolarHBondContact OD1-N 2.76Å; N309-R313 WeakPolarHBondContact O-CB 3.36Å; N309-R313 PolarHBondContact O-N 3.42Å | ||
| 310 | A | 95.7 | Very high | 96.7 | Very high | 41 Ų | 41 | 24.5 Ų | 24.5 | 34% | 0.339 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -66.7 | -42.4 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | P284 R313 Q314 | P284-A310 HydrophobicContact CB-CB 4.18Å; P284-A310 HydrophobicContact CG-CB 4Å; A310-R313 PolarHBondContact O-N 2.78Å; A310-Q314 WeakPolarHBondContact O-CB 3.28Å; A310-Q314 PolarHBondContact O-N 2.81Å |
| 311 | E | 95.7 | Very high | 96.4 | Very high | 70 Ų | 70 | 27.4 Ų | 27.4 | 33% | 0.327 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -71 | -41.4 | -177.7 | -65.3 | 69.2 | -149.5 | 0 | 0 | 110.6 | P35 N309 Q314 L315 | P35-E311 HydrophobicContact CG-CB 4.24Å; N309-E311 PolarHBondContact OD1-N 3.31Å; N309-E311 PolarHBondContact OD1-OE2 3.06Å; E311-Q314 CarbonylContact O-C 3.58Å; E311-Q314 WeakPolarHBondContact O-CB 3.03Å; E311-Q314 PolarHBondContact O-N 3.25Å; E311-L315 WeakPolarHBondContact O-CB 3.28Å; E311-L315 PolarHBondContact O-N 3.46Å |
| 312 | L | 96.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.1 | -45.6 | 174.4 | -178.4 | 60.2 | 0 | 0 | 0 | 111.2 | W14 I16 I29 P35 F286 I307 N309 Q314 L315 F316 | W14-L312 HydrophobicContact CH2-CD1 4.38Å; W14-L312 HydrophobicContact CH2-CD2 3.88Å; W14-L312 HydrophobicContact CZ2-CD2 4.28Å; W14-L312 HydrophobicContact CZ3-CD2 4.29Å; I16-L312 HydrophobicContact CD1-CD1 3.79Å; I16-L312 HydrophobicContact CD1-CD2 3.82Å; I16-L312 HydrophobicContact CD1-CG 4.37Å; I29-L312 HydrophobicContact CD1-CD1 4.01Å; I29-L312 HydrophobicContact CG2-CD1 4.26Å; P35-L312 HydrophobicContact CG-CB 3.86Å; F286-L312 HydrophobicContact CB-CD2 3.89Å; F286-L312 HydrophobicContact CB-CG 3.74Å; F286-L312 HydrophobicContact CD1-CD1 4.41Å; F286-L312 HydrophobicContact CD1-CD2 3.77Å; F286-L312 HydrophobicContact CD1-CG 4.02Å; F286-L312 HydrophobicContact CG-CD2 4.17Å; F286-L312 HydrophobicContact CG-CG 4.03Å; I307-L312 HydrophobicContact CB-CD2 4.05Å; I307-L312 HydrophobicContact CD1-CD2 4.23Å; I307-L312 HydrophobicContact CG2-CD2 4.18Å; N309-L312 HydrophobicContact CB-CB 3.87Å; N309-L312 VanDerWaalsContact OD1-CB 3.29Å; N309-L312 WeakPolarHBondContact OD1-CB 3.43Å; N309-L312 PolarHBondContact OD1-N 2.76Å; L312-Q314 VanDerWaalsContact C-N 3.26Å; L312-Q314 PolarHBondContact O-N 2.87Å; L312-L315 WeakPolarHBondContact O-CB 3.34Å; L312-L315 PolarHBondContact O-N 3.13Å; L312-F316 HydrophobicContact CD1-CD2 4.09Å; L312-F316 HydrophobicContact CD1-CE2 4.02Å; L312-F316 PolarHBondContact O-N 3.13Å; L312-F316 VanDerWaalsContact O-N 3.1Å |
| 313 | R | 97 | Very high | 94.8 | Very high | 31 Ų | 31 | 31.1 Ų | 31.1 | 12% | 0.117 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61 | -37.9 | 173.5 | 179.6 | -120.3 | 55.4 | 107.3 | -7.4 | 110.9 | I277 P284 L285 N309 A310 Q317 | I277-R313 HydrophobicContact CB-CG 4.08Å; I277-R313 HydrophobicContact CG2-CG 4.3Å; P284-R313 HydrophobicContact CB-CB 4.27Å; P284-R313 HydrophobicContact CB-CG 4.45Å; L285-R313 WeakPolarHBondContact O-CG 3.21Å; N309-R313 WeakPolarHBondContact O-CB 3.36Å; N309-R313 PolarHBondContact O-N 3.42Å; A310-R313 PolarHBondContact O-N 2.78Å; R313-Q317 WeakPolarHBondContact O-CB 3.09Å; R313-Q317 PolarHBondContact O-N 3.12Å |
| 314 | Q | 96.4 | Very high | 94.3 | Very high | 110 Ų | 110 | 36.1 Ų | 36.1 | 51% | 0.514 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -67.6 | -36.6 | 175.2 | -172.1 | 173.6 | 8.4 | 0 | 0 | 112.9 | A310 E311 L312 Q317 S318 | A310-Q314 WeakPolarHBondContact O-CB 3.28Å; A310-Q314 PolarHBondContact O-N 2.81Å; E311-Q314 CarbonylContact O-C 3.58Å; E311-Q314 WeakPolarHBondContact O-CB 3.03Å; E311-Q314 PolarHBondContact O-N 3.25Å; L312-Q314 VanDerWaalsContact C-N 3.26Å; L312-Q314 PolarHBondContact O-N 2.87Å; Q314-Q317 WeakPolarHBondContact O-CB 3.29Å; Q314-Q317 PolarHBondContact O-N 2.64Å; Q314-S318 PolarHBondContact O-N 3.16Å; Q314-S318 PolarHBondContact O-OG 3.5Å; Q314-S318 VanDerWaalsContact O-OG 3.05Å |
| 315 | L | 96.6 | Very high | 93.8 | Very high | 27 Ų | 27 | 39.4 Ų | 39.4 | 14% | 0.141 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.2 | -48.1 | 176.1 | -164.4 | 61.5 | 0 | 0 | 0 | 110.4 | I29 W37 E311 L312 Q317 S318 V319 | I29-L315 HydrophobicContact CD1-CD2 3.43Å; I29-L315 VanDerWaalsContact CD1-CD2 3.43Å; I29-L315 HydrophobicContact CG1-CD2 3.83Å; W37-L315 HydrophobicContact CD2-CD2 4.17Å; W37-L315 HydrophobicContact CG-CD2 4.36Å; W37-L315 HydrophobicContact CZ2-CD2 4.16Å; W37-L315 HydrophobicContact CZ2-CG 4.08Å; W37-L315 VanDerWaalsContact NE1-CD1 3.27Å; E311-L315 WeakPolarHBondContact O-CB 3.28Å; E311-L315 PolarHBondContact O-N 3.46Å; L312-L315 WeakPolarHBondContact O-CB 3.34Å; L312-L315 PolarHBondContact O-N 3.13Å; L315-Q317 PolarHBondContact O-N 2.98Å; L315-S318 WeakPolarHBondContact O-CA 3.46Å; L315-S318 VanDerWaalsContact O-CB 3.29Å; L315-S318 WeakPolarHBondContact O-CB 3.26Å; L315-S318 PolarHBondContact O-N 3.37Å; L315-V319 WeakPolarHBondContact O-CG2 3.47Å; L315-V319 PolarHBondContact O-N 2.93Å |
| 316 | F | 97.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -73 | -25.4 | 176.4 | -84.4 | -91.9 | 0 | 0 | 0 | 113.9 | I16 Y18 I29 W37 W275 I277 F286 L312 S318 V319 A320 | I16-F316 HydrophobicContact CG2-CZ 4.32Å; Y18-F316 HydrophobicContact CD2-CE1 4.19Å; Y18-F316 HydrophobicContact CD2-CZ 4.39Å; Y18-F316 HydrophobicContact CE2-CE1 4.13Å; I29-F316 HydrophobicContact CD1-CE2 3.8Å; I29-F316 HydrophobicContact CD1-CZ 4.45Å; W37-F316 HydrophobicContact CH2-CZ 4.28Å; W275-F316 AromaticContact CD2-CD1 3.93Å; W275-F316 HydrophobicContact CD2-CD1 3.93Å; W275-F316 HydrophobicContact CD2-CE1 4.34Å; W275-F316 HydrophobicContact CE3-CD1 4.03Å; W275-F316 HydrophobicContact CG-CD1 4.46Å; W275-F316 HydrophobicContact CG-CE1 4.45Å; W275-F316 HydrophobicContact CH2-CD1 4.35Å; W275-F316 HydrophobicContact CZ2-CD1 4.24Å; W275-F316 HydrophobicContact CZ3-CB 4.34Å; W275-F316 HydrophobicContact CZ3-CD1 4.25Å; I277-F316 HydrophobicContact CG2-CB 3.67Å; F286-F316 HydrophobicContact CD1-CD2 4.41Å; F286-F316 HydrophobicContact CD1-CE2 4.29Å; F286-F316 HydrophobicContact CD2-CB 3.79Å; F286-F316 AromaticContact CD2-CD1 3.84Å; F286-F316 HydrophobicContact CD2-CD1 3.84Å; F286-F316 AromaticContact CD2-CD2 3.42Å; F286-F316 HydrophobicContact CD2-CD2 3.42Å; F286-F316 VanDerWaalsContact CD2-CD2 3.42Å; F286-F316 HydrophobicContact CD2-CE1 4.26Å; F286-F316 AromaticContact CD2-CE2 3.9Å; F286-F316 HydrophobicContact CD2-CE2 3.9Å; F286-F316 AromaticContact CD2-CG 3.38Å; F286-F316 HydrophobicContact CD2-CG 3.38Å; F286-F316 HydrophobicContact CD2-CZ 4.29Å; F286-F316 HydrophobicContact CE1-CD2 4.4Å; F286-F316 AromaticContact CE1-CE2 3.92Å; F286-F316 HydrophobicContact CE1-CE2 3.92Å; F286-F316 HydrophobicContact CE1-CZ 4.08Å; F286-F316 HydrophobicContact CE2-CB 4.11Å; F286-F316 AromaticContact CE2-CD1 3.25Å; F286-F316 HydrophobicContact CE2-CD1 3.25Å; F286-F316 AromaticContact CE2-CD2 3.43Å; F286-F316 HydrophobicContact CE2-CD2 3.43Å; F286-F316 VanDerWaalsContact CE2-CD2 3.43Å; F286-F316 AromaticContact CE2-CE1 3.32Å; F286-F316 HydrophobicContact CE2-CE1 3.32Å; F286-F316 AromaticContact CE2-CE2 3.51Å; F286-F316 HydrophobicContact CE2-CE2 3.51Å; F286-F316 AromaticContact CE2-CG 3.29Å; F286-F316 HydrophobicContact CE2-CG 3.29Å; F286-F316 AromaticContact CE2-CZ 3.45Å; F286-F316 HydrophobicContact CE2-CZ 3.45Å; F286-F316 VanDerWaalsContact CE2-CZ 3.45Å; F286-F316 AromaticContact CG-CD2 3.93Å; F286-F316 HydrophobicContact CG-CD2 3.93Å; F286-F316 HydrophobicContact CG-CE2 4.26Å; F286-F316 HydrophobicContact CG-CG 4.32Å; F286-F316 HydrophobicContact CZ-CD1 4Å; F286-F316 AromaticContact CZ-CD2 3.92Å; F286-F316 HydrophobicContact CZ-CD2 3.92Å; F286-F316 AromaticContact CZ-CE1 3.57Å; F286-F316 HydrophobicContact CZ-CE1 3.57Å; F286-F316 AromaticContact CZ-CE2 3.49Å; F286-F316 HydrophobicContact CZ-CE2 3.49Å; F286-F316 VanDerWaalsContact CZ-CE2 3.49Å; F286-F316 HydrophobicContact CZ-CG 4.15Å; F286-F316 AromaticContact CZ-CZ 3.3Å; F286-F316 HydrophobicContact CZ-CZ 3.3Å; L312-F316 HydrophobicContact CD1-CD2 4.09Å; L312-F316 HydrophobicContact CD1-CE2 4.02Å; L312-F316 PolarHBondContact O-N 3.13Å; L312-F316 VanDerWaalsContact O-N 3.1Å; F316-S318 PolarHBondContact O-N 2.97Å; F316-V319 HydrophobicContact CD1-CB 4.36Å; F316-V319 HydrophobicContact CD1-CG2 4.31Å; F316-V319 WeakPolarHBondContact O-CB 2.95Å; F316-V319 PolarHBondContact O-N 3.46Å; F316-A320 PolarHBondContact O-N 3.17Å |
| 317 | Q | 96.3 | Very high | 92.5 | Very high | 66 Ų | 66 | 44.3 Ų | 44.3 | 31% | 0.308 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.9 | -36.7 | 166.1 | -175.3 | 64.5 | 63 | 0 | 0 | 111.3 | I277 R313 Q314 L315 A320 A321 | I277-Q317 HydrophobicContact CD1-CB 3.91Å; I277-Q317 HydrophobicContact CD1-CG 4.48Å; I277-Q317 VanDerWaalsContact CD1-OE1 3.24Å; R313-Q317 WeakPolarHBondContact O-CB 3.09Å; R313-Q317 PolarHBondContact O-N 3.12Å; Q314-Q317 WeakPolarHBondContact O-CB 3.29Å; Q314-Q317 PolarHBondContact O-N 2.64Å; L315-Q317 PolarHBondContact O-N 2.98Å; Q317-A320 WeakPolarHBondContact O-CB 3.5Å; Q317-A320 PolarHBondContact O-N 3.33Å; Q317-A321 PolarHBondContact O-N 3.23Å |
| 318 | S | 96 | Very high | 91.9 | Very high | 71 Ų | 71 | 48 Ų | 48 | 50% | 0.497 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -71.9 | -35.6 | 175 | -52.6 | 0 | 0 | 0 | 0 | 111.7 | Q314 L315 F316 A320 A321 | Q314-S318 PolarHBondContact O-N 3.16Å; Q314-S318 PolarHBondContact O-OG 3.5Å; Q314-S318 VanDerWaalsContact O-OG 3.05Å; L315-S318 WeakPolarHBondContact O-CA 3.46Å; L315-S318 VanDerWaalsContact O-CB 3.29Å; L315-S318 WeakPolarHBondContact O-CB 3.26Å; L315-S318 PolarHBondContact O-N 3.37Å; F316-S318 PolarHBondContact O-N 2.97Å; S318-A320 VanDerWaalsContact C-N 3.25Å; S318-A320 PolarHBondContact O-N 3.31Å; S318-A321 VanDerWaalsContact O-CB 3.24Å; S318-A321 WeakPolarHBondContact O-CB 3.06Å; S318-A321 PolarHBondContact O-N 2.94Å; S318-A321 VanDerWaalsContact O-N 3.12Å |
| 319 | V | 97 | Very high | 91.7 | Very high | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.006 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.8 | -38.8 | 171.3 | 176.4 | 0 | 0 | 0 | 0 | 111.6 | W37 V259 K260 V261 W275 L315 F316 A321 | W37-V319 HydrophobicContact CZ2-CG2 3.76Å; V259-V319 HydrophobicContact CB-CG1 3.79Å; V259-V319 HydrophobicContact CG1-CG1 4.16Å; V259-V319 HydrophobicContact CG2-CG1 4.39Å; K260-V319 PolarHBondContact N-O 2.81Å; K260-V319 VanDerWaalsContact N-O 3.16Å; K260-V319 WeakPolarHBondContact O-CA 3.47Å; V261-V319 HydrophobicContact CG2-CG1 3.98Å; W275-V319 HydrophobicContact CH2-CG1 4.41Å; W275-V319 HydrophobicContact CZ2-CG1 3.91Å; L315-V319 WeakPolarHBondContact O-CG2 3.47Å; L315-V319 PolarHBondContact O-N 2.93Å; F316-V319 HydrophobicContact CD1-CB 4.36Å; F316-V319 HydrophobicContact CD1-CG2 4.31Å; F316-V319 WeakPolarHBondContact O-CB 2.95Å; F316-V319 PolarHBondContact O-N 3.46Å; V319-A321 VanDerWaalsContact C-N 3.3Å; V319-A321 PolarHBondContact O-N 2.64Å |
| 320 | A | 93.9 | Very high | 91.5 | Very high | 4 Ų | 4 | 49.4 Ų | 49.4 | 3% | 0.033 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -73.4 | -14.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | L254 W275 F316 Q317 S318 T322 S323 | L254-A320 HydrophobicContact CD1-CB 3.76Å; L254-A320 HydrophobicContact CD2-CB 3.99Å; W275-A320 HydrophobicContact CH2-CB 4.01Å; F316-A320 PolarHBondContact O-N 3.17Å; Q317-A320 WeakPolarHBondContact O-CB 3.5Å; Q317-A320 PolarHBondContact O-N 3.33Å; S318-A320 VanDerWaalsContact C-N 3.25Å; S318-A320 PolarHBondContact O-N 3.31Å; A320-T322 VanDerWaalsContact C-N 3.26Å; A320-T322 PolarHBondContact O-N 2.67Å; A320-S323 WeakPolarHBondContact O-CB 3.43Å; A320-S323 PolarHBondContact O-N 3.38Å |
| 321 | A | 88 | Confident | 91.2 | Very high | 76 Ų | 76 | 49.8 Ų | 49.8 | 63% | 0.628 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -63.6 | -28 | -166.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q317 S318 V319 | Q317-A321 PolarHBondContact O-N 3.23Å; S318-A321 VanDerWaalsContact O-CB 3.24Å; S318-A321 WeakPolarHBondContact O-CB 3.06Å; S318-A321 PolarHBondContact O-N 2.94Å; S318-A321 VanDerWaalsContact O-N 3.12Å; V319-A321 VanDerWaalsContact C-N 3.3Å; V319-A321 PolarHBondContact O-N 2.64Å |
| 322 | T | 81.6 | Confident | 91 | Very high | 66 Ų | 66 | 48.6 Ų | 48.6 | 41% | 0.405 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -85.9 | -8.8 | 176.2 | 59.8 | 0 | 0 | 0 | 0 | 113.4 | K260 A320 | K260-T322 HydrophobicContact CB-CG2 3.97Å; K260-T322 HydrophobicContact CD-CG2 4.32Å; A320-T322 VanDerWaalsContact C-N 3.26Å; A320-T322 PolarHBondContact O-N 2.67Å |
| 323 | S | 80.9 | Confident | 90.6 | Very high | 13 Ų | 13 | 51.7 Ų | 51.7 | 9% | 0.091 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -86.1 | 134.2 | 179.1 | 170.6 | 0 | 0 | 0 | 0 | 110 | L254 L255 G256 A320 | L254-S323 WeakPolarHBondContact CB-OG 3.06Å; L255-S323 PolarHBondContact N-OG 3.15Å; G256-S323 PolarHBondContact N-OG 3.2Å; A320-S323 WeakPolarHBondContact O-CB 3.43Å; A320-S323 PolarHBondContact O-N 3.38Å |
| 324 | N | 86.5 | Confident | 90.2 | Very high | 108 Ų | 108 | 53.1 Ų | 53.1 | 58% | 0.578 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 145.1 | 165.9 | -66.9 | -41.2 | 0 | 0 | 0 | 110.3 | L254 L255 G256 | L254-N324 CarbonylContact C-O 3.58Å; L255-N324 HydrophobicContact CB-CB 4.35Å; L255-N324 PolarHBondContact N-O 3.19Å; G256-N324 PolarHBondContact O-N 3.01Å; G256-N324 PolarHBondContact O-ND2 2.96Å |
| 325 | L | 87.8 | Confident | 89.8 | Confident | 70 Ų | 70 | 49 Ų | 49 | 37% | 0.366 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 134.4 | 173.8 | -168.1 | 68 | 0 | 0 | 0 | 109.1 | Q252 L254 A327 | Q252-L325 HydrophobicContact CB-CD1 3.62Å; Q252-L325 HydrophobicContact CB-CD2 4.36Å; Q252-L325 HydrophobicContact CB-CG 4.05Å; Q252-L325 VanDerWaalsContact NE2-CD2 3.33Å; L254-L325 HydrophobicContact CD2-CD1 3.9Å; L325-A327 VanDerWaalsContact C-N 3.29Å; L325-A327 PolarHBondContact O-N 3.09Å |
| 326 | E | 88.1 | Confident | 89.2 | Confident | 36 Ų | 36 | 50.7 Ų | 50.7 | 17% | 0.168 | 32% | 0.322 | C | S | . | . | trans | -75.1 | 91.4 | 161.6 | -168.2 | 176.2 | -118.6 | 0 | 0 | 107.4 | K240 S243 N253 L255 | K240-E326 IonicContact NZ-OE1 3Å; K240-E326 PolarHBondContact NZ-OE1 3.44Å; S243-E326 PolarHBondContact N-OE2 3.36Å; S243-E326 WeakPolarHBondContact OG-CB 3.45Å; S243-E326 PolarHBondContact OG-O 2.85Å; S243-E326 VanDerWaalsContact OG-O 3.06Å; S243-E326 PolarHBondContact OG-OE2 3.39Å; N253-E326 HydrophobicContact CB-CB 4.1Å; N253-E326 PolarHBondContact ND2-OE2 2.96Å; N253-E326 PolarHBondContact O-N 3.32Å; L255-E326 HydrophobicContact CD1-CB 3.71Å; L255-E326 HydrophobicContact CD1-CG 4.27Å; L255-E326 HydrophobicContact CD2-CB 3.89Å; L255-E326 HydrophobicContact CD2-CG 4.49Å; L255-E326 HydrophobicContact CG-CB 3.72Å | ||
| 327 | A | 83.4 | Confident | 88.5 | Confident | 71 Ų | 71 | 54.9 Ų | 54.9 | 59% | 0.587 | 35% | 0.349 | S | S | * | . | trans | -64.3 | 142.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | L325 | L325-A327 VanDerWaalsContact C-N 3.29Å; L325-A327 PolarHBondContact O-N 3.09Å | ||
| 328 | C | 83.2 | Confident | 87.8 | Confident | 77 Ų | 77 | 53.9 Ų | 53.9 | 52% | 0.52 | 35% | 0.353 | S | S | . | . | trans | -78 | 0 | 149.6 | -60.8 | 0 | 0 | 0 | 0 | 107.8 | C245 K250 | C245-C328 WeakPolarHBondContact CA-SG 3.19Å; C245-C328 HydrophobicContact CB-CB 3.55Å; C245-C328 WeakPolarHBondContact CB-SG 3.45Å; C245-C328 WeakPolarHBondContact SG-CA 3.21Å; C245-C328 WeakPolarHBondContact SG-CB 3.22Å; C245-C328 CovalentContact SG-SG 2.03Å; C245-C328 PolarHBondContact SG-SG 3.13Å; K250-C328 HydrophobicContact CD-CB 3.71Å |
Retrieved 328 of 328 residues in 277 ms
(Link to these results)