| 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 | 38.9 | Very low | 82.8 | Confident | 237 Ų | 237 | 55 Ų | 55 | 100% | 1.167 | 31% | 0.309 | S | S | * | . | 0 | 115.6 | 0 | -130.4 | 158.4 | -167.5 | 0 | 0 | 104.2 | |||||
| 2 | G | 53.5 | Low | 84.2 | Confident | 62 Ų | 62 | 51.3 Ų | 51.3 | 64% | 0.639 | 29% | 0.289 | S | S | * | . | P | Polyproline II helix | trans | -63.4 | 137.4 | 178 | 0 | 0 | 0 | 0 | 0 | 108.8 | L4 | G2-L4 PolarHBondContact O-N 2.83Š|
| 3 | D | 69.7 | Low | 85.3 | Confident | 143 Ų | 143 | 47.5 Ų | 47.5 | 77% | 0.765 | 27% | 0.267 | S | S | * | . | P | Polyproline II helix | trans | -58.8 | 121.7 | -177 | -62.5 | -36 | 0 | 0 | 0 | 109.4 | Q208 | D3-Q208 PolarHBondContact O-NE2 2.85Š|
| 4 | L | 84 | Confident | 86.1 | Confident | 79 Ų | 79 | 44.4 Ų | 44.4 | 41% | 0.414 | 25% | 0.25 | S | C | . | . | P | Polyproline II helix | trans | -84.1 | 137.8 | 172.4 | -65.3 | 173.8 | 0 | 0 | 0 | 108.1 | G2 F110 T199 K201 | G2-L4 PolarHBondContact O-N 2.83Å; L4-F110 HydrophobicContact CD1-CZ 4.44Å; L4-F110 HydrophobicContact CD2-CE1 4.35Å; L4-F110 HydrophobicContact CD2-CZ 3.89Å; L4-T199 HydrophobicContact CB-CG2 4.23Å; L4-T199 HydrophobicContact CD1-CG2 4.11Å; L4-K201 HydrophobicContact CD2-CB 3.66Å; L4-K201 HydrophobicContact CD2-CD 4.13Å; L4-K201 HydrophobicContact CD2-CG 3.91Å |
| 5 | L | 88.3 | Confident | 86.9 | Confident | 46 Ų | 46 | 41.7 Ų | 41.7 | 24% | 0.241 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 121.7 | 175.3 | -173.5 | 60.9 | 0 | 0 | 0 | 109.5 | I200 E212 Q216 | L5-I200 PolarHBondContact N-O 3.15Å; L5-I200 PolarHBondContact O-N 2.93Å; L5-E212 HydrophobicContact CB-CB 4.26Å; L5-E212 HydrophobicContact CD2-CB 3.54Å; L5-Q216 HydrophobicContact CD2-CG 3.82Å; L5-Q216 HydrophobicContact CG-CG 4.34Å |
| 6 | M | 92.9 | Very high | 87.6 | Confident | 18 Ų | 18 | 40.5 Ų | 40.5 | 9% | 0.089 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 131.4 | -176.3 | -65.2 | -177.9 | 79.5 | 0 | 0 | 111.9 | L130 T134 V138 E139 L197 V198 T199 | M6-L130 HydrophobicContact CE-CD1 3.78Å; M6-L130 HydrophobicContact CE-CD2 4.22Å; M6-T134 HydrophobicContact CE-CG2 4.16Å; M6-T134 HydrophobicContact SD-CG2 3.51Å; M6-T134 VanDerWaalsContact SD-CG2 3.51Å; M6-V138 HydrophobicContact CB-CG2 4Å; M6-E139 PolarHBondContact O-N 3.32Å; M6-L197 HydrophobicContact CE-CD1 4.09Å; M6-L197 HydrophobicContact CE-CD2 3.92Å; M6-L197 HydrophobicContact CE-CG 4.22Å; M6-V198 VanDerWaalsContact CA-O 3.31Å; M6-V198 WeakPolarHBondContact CA-O 3.37Å; M6-T199 HydrophobicContact CG-CG2 3.9Å; M6-T199 HydrophobicContact SD-CG2 4.44Å |
| 7 | E | 94.3 | Very high | 88.2 | Confident | 12 Ų | 12 | 39.2 Ų | 39.2 | 6% | 0.056 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 142.1 | 176.1 | -172 | -171.7 | 95.5 | 0 | 0 | 109.8 | C9 E139 V141 V198 | E7-C9 PolarHBondContact OE1-SG 3.09Å; E7-E139 HydrophobicContact CG-CB 4.43Å; E7-V141 HydrophobicContact CG-CB 4.27Å; E7-V141 HydrophobicContact CG-CG2 3.64Å; E7-V141 WeakPolarHBondContact OE2-CG2 3.45Å; E7-V198 PolarHBondContact N-O 2.98Å; E7-V198 PolarHBondContact O-N 3.39Å |
| 8 | K | 95.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 104.3 | 173.7 | -171.1 | -178.2 | -176 | -155.3 | 0 | 110.4 | L124 E125 W135 V138 E139 V141 Y195 K196 L197 | K8-L124 PolarHBondContact NZ-O 3.39Å; K8-E125 PolarHBondContact NZ-O 2.94Å; K8-W135 HydrophobicContact CD-CH2 3.83Å; K8-W135 HydrophobicContact CD-CZ3 3.9Å; K8-V138 HydrophobicContact CB-CG1 3.72Å; K8-E139 PolarHBondContact N-O 3.44Å; K8-V141 PolarHBondContact O-N 2.84Å; K8-Y195 VanDerWaalsContact CE-CD1 3.43Å; K8-K196 CarbonylContact C-O 3.44Å; K8-K196 WeakPolarHBondContact CA-O 3.49Å; K8-L197 HydrophobicContact CB-CD1 4.21Å |
| 9 | C | 97.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 125.7 | 170.2 | -84.7 | 0 | 0 | 0 | 0 | 110.7 | E7 V141 I143 K196 F223 | E7-C9 PolarHBondContact OE1-SG 3.09Å; C9-V141 CarbonylContact C-O 3.23Å; C9-V141 VanDerWaalsContact CA-O 3.3Å; C9-V141 WeakPolarHBondContact CA-O 3.42Å; C9-I143 HydrophobicContact CB-CD1 4.18Å; C9-K196 HydrophobicContact CB-CB 4.17Å; C9-K196 PolarHBondContact N-O 3.04Å; C9-K196 PolarHBondContact O-N 3.35Å; C9-F223 HydrophobicContact CB-CD2 3.92Å; C9-F223 HydrophobicContact CB-CE2 4.17Å |
| 10 | R | 98.5 | Very high | 89.7 | Confident | 8 Ų | 8 | 42.2 Ų | 42.2 | 3% | 0.03 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 118.5 | 171.8 | -56.6 | -172.5 | -168.9 | -177 | 5.5 | 108.8 | G122 E125 I140 V141 I143 Y195 | R10-G122 WeakPolarHBondContact CD-O 3.28Å; R10-G122 PolarHBondContact NH1-O 3.34Å; R10-E125 IonicContact CZ-OE1 3.56Å; R10-E125 IonicContact CZ-OE2 3.38Å; R10-E125 IonicContact NH1-OE1 3.23Å; R10-E125 PolarHBondContact NH1-OE1 3.02Å; R10-E125 IonicContact NH2-OE1 3.72Å; R10-E125 PolarHBondContact NH2-OE1 2.9Å; R10-E125 IonicContact NH2-OE2 2.74Å; R10-E125 PolarHBondContact NH2-OE2 3.14Å; R10-I140 HydrophobicContact CG-CG2 4.32Å; R10-V141 PolarHBondContact N-O 2.96Å; R10-I143 PolarHBondContact O-N 2.68Å; R10-Y195 HydrophobicContact CG-CD1 3.93Å; R10-Y195 HydrophobicContact CG-CE1 4.21Å |
| 11 | V | 98.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 103.4 | 178.1 | -161.9 | 0 | 0 | 0 | 0 | 109.2 | L13 I143 I145 C193 A194 H227 | V11-L13 HydrophobicContact CG1-CD2 4Å; V11-L13 HydrophobicContact CG1-CG 4.26Å; V11-I143 HydrophobicContact CG1-CB 4.43Å; V11-I143 HydrophobicContact CG1-CG2 4.35Å; V11-I143 HydrophobicContact CG2-CB 4.1Å; V11-I143 HydrophobicContact CG2-CD1 4.09Å; V11-I143 HydrophobicContact CG2-CG1 4.49Å; V11-I145 HydrophobicContact CG1-CG2 4.15Å; V11-C193 WeakPolarHBondContact O-CA 3.48Å; V11-A194 HydrophobicContact CB-CB 4.4Å; V11-A194 PolarHBondContact N-O 2.84Å; V11-A194 PolarHBondContact O-N 2.81Å; V11-H227 HydrophobicContact CG1-CB 4Å |
| 12 | V | 98.6 | Very high | 93 | Very high | 11 Ų | 11 | 32.7 Ų | 32.7 | 7% | 0.067 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 140.1 | 173 | 176.9 | 0 | 0 | 0 | 0 | 108.5 | L121 W179 K180 L183 M192 C193 | V12-L121 HydrophobicContact CG1-CD2 3.64Å; V12-W179 HydrophobicContact CB-CH2 4.24Å; V12-W179 HydrophobicContact CG1-CH2 3.92Å; V12-W179 HydrophobicContact CG1-CZ3 4.33Å; V12-W179 WeakPolarHBondContact O-CH2 3.42Å; V12-K180 HydrophobicContact CB-CD 4.46Å; V12-K180 HydrophobicContact CG1-CG 4.33Å; V12-L183 HydrophobicContact CG1-CD2 4.36Å; V12-M192 WeakPolarHBondContact CA-O 3.23Å; V12-C193 HydrophobicContact CG2-CB 4.38Å |
| 13 | L | 98.6 | Very high | 95.1 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 143.4 | -178.2 | -61.1 | 170.6 | 0 | 0 | 0 | 112 | V11 C15 Y20 I145 M192 H227 | V11-L13 HydrophobicContact CG1-CD2 4Å; V11-L13 HydrophobicContact CG1-CG 4.26Å; L13-C15 PolarHBondContact O-N 2.53Å; L13-Y20 HydrophobicContact CD1-CD2 3.41Å; L13-Y20 VanDerWaalsContact CD1-CD2 3.41Å; L13-Y20 HydrophobicContact CD1-CE2 3.24Å; L13-I145 HydrophobicContact CD2-CD1 3.81Å; L13-I145 HydrophobicContact CD2-CG2 4.19Å; L13-M192 HydrophobicContact CB-CG 4.27Å; L13-M192 HydrophobicContact CB-SD 4.04Å; L13-M192 HydrophobicContact CD1-SD 3.78Å; L13-M192 HydrophobicContact CG-SD 4.22Å; L13-M192 PolarHBondContact N-O 2.77Å; L13-M192 PolarHBondContact O-N 2.68Å; L13-H227 HydrophobicContact CD2-CB 4.09Å |
| 14 | P | 97.6 | Very high | 96.5 | Very high | 4 Ų | 4 | 24.2 Ų | 24.2 | 3% | 0.026 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -82.1 | 54.3 | 174.1 | 37.2 | -37.6 | 0 | 0 | 0 | 111.2 | R172 L175 W179 L183 P190 F231 | P14-R172 VanDerWaalsContact O-CD 3.31Å; P14-R172 WeakPolarHBondContact O-CD 3.32Å; P14-R172 PolarHBondContact O-NH1 2.81Å; P14-L175 HydrophobicContact CG-CD1 4.21Å; P14-L175 HydrophobicContact CG-CD2 4.2Å; P14-W179 HydrophobicContact CB-CZ3 4.24Å; P14-W179 HydrophobicContact CG-CZ3 4.23Å; P14-L183 HydrophobicContact CB-CD1 4.34Å; P14-L183 HydrophobicContact CB-CD2 4.27Å; P14-P190 CarbonylContact C-O 3.52Å; P14-P190 VanDerWaalsContact C-O 3.23Å; P14-P190 WeakPolarHBondContact CA-O 3.19Å; P14-F231 HydrophobicContact CB-CE2 4.39Å; P14-F231 HydrophobicContact CG-CD2 3.55Å; P14-F231 HydrophobicContact CG-CE2 3.32Å; P14-F231 HydrophobicContact CG-CZ 4.19Å |
| 15 | C | 97.3 | Very high | 97.1 | Very high | 5 Ų | 5 | 21.2 Ų | 21.2 | 3% | 0.034 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -145.2 | 161.4 | 173 | 62.7 | 0 | 0 | 0 | 0 | 110.2 | L13 E19 P190 Q191 M192 | L13-C15 PolarHBondContact O-N 2.53Å; C15-E19 VanDerWaalsContact CA-OE2 3.28Å; C15-E19 WeakPolarHBondContact CA-OE2 3.3Å; C15-E19 HydrophobicContact CB-CB 4.15Å; C15-E19 WeakPolarHBondContact CB-OE2 3.37Å; C15-P190 PolarHBondContact N-O 2.75Å; C15-P190 VanDerWaalsContact N-O 3.17Å; C15-Q191 CarbonylContact O-C 3.56Å; C15-Q191 WeakPolarHBondContact O-CA 3.44Å; C15-M192 WeakPolarHBondContact O-CB 3.25Å; C15-M192 WeakPolarHBondContact O-CG 3.28Å; C15-M192 PolarHBondContact O-N 3.32Å |
| 16 | S | 98.1 | Very high | 97.6 | Very high | 22 Ų | 22 | 20 Ų | 20 | 15% | 0.154 | 10% | 0.1 | C | C | . | . | trans | -76.8 | 163.2 | 173.4 | 71.5 | 0 | 0 | 0 | 0 | 111.1 | Q18 E19 Y20 | S16-Q18 PolarHBondContact O-N 2.87Å; S16-Q18 PolarHBondContact OG-N 3.1Å; S16-E19 PolarHBondContact N-OE2 3.08Å; S16-E19 PolarHBondContact O-N 2.91Å; S16-E19 WeakPolarHBondContact OG-CB 3.3Å; S16-E19 VanDerWaalsContact OG-CG 3.23Å; S16-E19 WeakPolarHBondContact OG-CG 3.25Å; S16-E19 PolarHBondContact OG-N 2.89Å; S16-Y20 WeakPolarHBondContact O-CB 3.43Å; S16-Y20 PolarHBondContact O-N 2.84Å | ||
| 17 | V | 98.4 | Very high | 97.8 | Very high | 18 Ų | 18 | 19.2 Ų | 19.2 | 11% | 0.109 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -58 | -38.4 | 171.1 | 171 | 0 | 0 | 0 | 0 | 110.4 | Y20 Q21 Y93 P94 H117 P119 M192 | V17-Y20 PolarHBondContact O-N 2.9Å; V17-Q21 PolarHBondContact O-N 2.72Å; V17-Y93 HydrophobicContact CG1-CE1 3.57Å; V17-Y93 WeakPolarHBondContact CG1-OH 3.25Å; V17-Y93 WeakPolarHBondContact O-CE1 3.42Å; V17-Y93 VanDerWaalsContact O-CZ 3.3Å; V17-Y93 PolarHBondContact O-OH 3.41Å; V17-P94 HydrophobicContact CG1-CB 4.27Å; V17-H117 HydrophobicContact CG1-CB 4.42Å; V17-P119 HydrophobicContact CG2-CB 4.05Å; V17-M192 HydrophobicContact CG2-CB 3.77Å; V17-M192 HydrophobicContact CG2-CE 4.45Å |
| 18 | Q | 97.9 | Very high | 97.8 | Very high | 134 Ų | 134 | 20.6 Ų | 20.6 | 63% | 0.626 | 11% | 0.105 | S | C | * | . | H | α-helix | trans | -68.3 | -45 | 179 | -65.7 | 77.3 | 5 | 0 | 0 | 112.1 | S16 Y20 Q21 | S16-Q18 PolarHBondContact O-N 2.87Å; S16-Q18 PolarHBondContact OG-N 3.1Å; Q18-Y20 VanDerWaalsContact C-N 3.34Å; Q18-Y20 PolarHBondContact O-N 3.48Å; Q18-Q21 WeakPolarHBondContact O-CB 3.19Å; Q18-Q21 PolarHBondContact O-N 2.72Å |
| 19 | E | 98.3 | Very high | 97.8 | Very high | 43 Ų | 43 | 21 Ų | 21 | 20% | 0.201 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -61.9 | -42.6 | 175.7 | -73.7 | 169.3 | 167.7 | 0 | 0 | 111.4 | C15 S16 Q21 V22 G23 R172 W237 I238 | C15-E19 VanDerWaalsContact CA-OE2 3.28Å; C15-E19 WeakPolarHBondContact CA-OE2 3.3Å; C15-E19 HydrophobicContact CB-CB 4.15Å; C15-E19 WeakPolarHBondContact CB-OE2 3.37Å; S16-E19 PolarHBondContact N-OE2 3.08Å; S16-E19 PolarHBondContact O-N 2.91Å; S16-E19 WeakPolarHBondContact OG-CB 3.3Å; S16-E19 VanDerWaalsContact OG-CG 3.23Å; S16-E19 WeakPolarHBondContact OG-CG 3.25Å; S16-E19 PolarHBondContact OG-N 2.89Å; E19-Q21 PolarHBondContact O-N 3.44Å; E19-V22 PolarHBondContact O-N 2.67Å; E19-G23 PolarHBondContact O-N 3.14Å; E19-R172 IonicContact OE1-CZ 3.48Å; E19-R172 IonicContact OE1-NH1 2.75Å; E19-R172 IonicContact OE1-NH2 3.32Å; E19-R172 PolarHBondContact OE1-NH2 3.11Å; E19-R172 IonicContact OE2-CZ 3.58Å; E19-R172 IonicContact OE2-NH1 2.77Å; E19-R172 PolarHBondContact OE2-NH1 2.95Å; E19-R172 IonicContact OE2-NH2 3.6Å; E19-R172 PolarHBondContact OE2-NH2 2.91Å; E19-W237 HydrophobicContact CB-CH2 4.31Å; E19-W237 HydrophobicContact CB-CZ3 4.01Å; E19-W237 WeakPolarHBondContact O-CZ3 3.47Å; E19-I238 HydrophobicContact CB-CD1 4.34Å; E19-I238 HydrophobicContact CG-CD1 3.76Å |
| 20 | Y | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.2 | -34.1 | 179.5 | -174.7 | -87.8 | 0 | 0 | 0 | 112.3 | L13 S16 V17 Q18 V22 G23 Q24 Y93 H117 M192 K196 H227 L230 | L13-Y20 HydrophobicContact CD1-CD2 3.41Å; L13-Y20 VanDerWaalsContact CD1-CD2 3.41Å; L13-Y20 HydrophobicContact CD1-CE2 3.24Å; S16-Y20 WeakPolarHBondContact O-CB 3.43Å; S16-Y20 PolarHBondContact O-N 2.84Å; V17-Y20 PolarHBondContact O-N 2.9Å; Q18-Y20 VanDerWaalsContact C-N 3.34Å; Q18-Y20 PolarHBondContact O-N 3.48Å; Y20-V22 VanDerWaalsContact C-N 3.3Å; Y20-V22 PolarHBondContact O-N 2.94Å; Y20-G23 PolarHBondContact O-N 3.27Å; Y20-Q24 HydrophobicContact CD1-CB 4.05Å; Y20-Q24 HydrophobicContact CE1-CB 3.72Å; Y20-Q24 HydrophobicContact CE1-CG 3.98Å; Y20-Q24 WeakPolarHBondContact O-CB 3.42Å; Y20-Q24 PolarHBondContact O-N 2.87Å; Y20-Y93 HydrophobicContact CD1-CE2 4Å; Y20-H117 AromaticContact CD1-CD2 3.56Å; Y20-H117 AromaticContact CD1-NE2 3.89Å; Y20-H117 AromaticContact CE1-CD2 3.25Å; Y20-H117 WeakPolarHBondContact CE1-CD2 3.23Å; Y20-H117 AromaticContact CE1-NE2 3.19Å; Y20-H117 WeakPolarHBondContact CE1-NE2 3.28Å; Y20-H117 AromaticContact CZ-NE2 3.97Å; Y20-M192 HydrophobicContact CD2-SD 4.13Å; Y20-M192 HydrophobicContact CG-SD 4.32Å; Y20-K196 PolarHBondContact OH-NZ 3.35Å; Y20-H227 AromaticContact CE2-CD2 3.83Å; Y20-H227 AromaticContact CE2-NE2 3.89Å; Y20-H227 AromaticContact CZ-NE2 3.8Å; Y20-H227 PolarHBondContact OH-NE2 3.18Å; Y20-L230 HydrophobicContact CD2-CD1 4.08Å; Y20-L230 HydrophobicContact CD2-CD2 4.46Å; Y20-L230 HydrophobicContact CE2-CD1 3.69Å |
| 21 | Q | 98.3 | Very high | 97.4 | Very high | 63 Ų | 63 | 23.4 Ų | 23.4 | 29% | 0.294 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -56.6 | -45.6 | 177.5 | -171.7 | 177.4 | 10 | 0 | 0 | 111.7 | V17 Q18 E19 L25 Y93 M242 | V17-Q21 PolarHBondContact O-N 2.72Å; Q18-Q21 WeakPolarHBondContact O-CB 3.19Å; Q18-Q21 PolarHBondContact O-N 2.72Å; E19-Q21 PolarHBondContact O-N 3.44Å; Q21-L25 WeakPolarHBondContact O-CD1 3.11Å; Q21-L25 WeakPolarHBondContact O-CG 3.24Å; Q21-Y93 HydrophobicContact CB-CD1 3.92Å; Q21-Y93 HydrophobicContact CB-CD2 4.35Å; Q21-Y93 HydrophobicContact CB-CE1 3.78Å; Q21-Y93 HydrophobicContact CB-CE2 4.23Å; Q21-Y93 HydrophobicContact CB-CG 4.22Å; Q21-Y93 HydrophobicContact CG-CD1 3.85Å; Q21-Y93 HydrophobicContact CG-CD2 4.15Å; Q21-Y93 HydrophobicContact CG-CE1 4.25Å; Q21-Y93 HydrophobicContact CG-CG 3.81Å; Q21-M242 HydrophobicContact CG-SD 4.16Å |
| 22 | V | 98.3 | Very high | 97 | Very high | 18 Ų | 18 | 23.8 Ų | 23.8 | 11% | 0.109 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -72.4 | -50 | 177.5 | 176 | 0 | 0 | 0 | 0 | 110.4 | E19 Y20 Q24 L25 Y26 W237 L240 M242 I245 | E19-V22 PolarHBondContact O-N 2.67Å; Y20-V22 VanDerWaalsContact C-N 3.3Å; Y20-V22 PolarHBondContact O-N 2.94Å; V22-Q24 VanDerWaalsContact C-N 3.3Å; V22-Q24 PolarHBondContact O-N 3.15Å; V22-L25 PolarHBondContact O-N 3.38Å; V22-Y26 PolarHBondContact O-N 3.12Å; V22-W237 WeakPolarHBondContact CG1-O 3.48Å; V22-L240 HydrophobicContact CG1-CB 3.82Å; V22-L240 WeakPolarHBondContact CG1-O 3.32Å; V22-M242 HydrophobicContact CG2-SD 4.05Å; V22-I245 HydrophobicContact CG1-CD1 3.92Å; V22-I245 HydrophobicContact CG1-CG1 3.88Å |
| 23 | G | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.3 | -36.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | E19 Y20 S27 W237 | E19-G23 PolarHBondContact O-N 3.14Å; Y20-G23 PolarHBondContact O-N 3.27Å; G23-S27 WeakPolarHBondContact O-CB 3.31Å; G23-S27 PolarHBondContact O-N 3.46Å; G23-S27 PolarHBondContact O-OG 3.01Å; G23-W237 VanDerWaalsContact CA-CE3 3.48Å |
| 24 | Q | 98.2 | Very high | 96.3 | Very high | 27 Ų | 27 | 27.9 Ų | 27.9 | 13% | 0.126 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.4 | -48.5 | 175.3 | -176.7 | -173.9 | 11.6 | 0 | 0 | 111.2 | Y20 V22 S27 V28 F226 L230 | Y20-Q24 HydrophobicContact CD1-CB 4.05Å; Y20-Q24 HydrophobicContact CE1-CB 3.72Å; Y20-Q24 HydrophobicContact CE1-CG 3.98Å; Y20-Q24 WeakPolarHBondContact O-CB 3.42Å; Y20-Q24 PolarHBondContact O-N 2.87Å; V22-Q24 VanDerWaalsContact C-N 3.3Å; V22-Q24 PolarHBondContact O-N 3.15Å; Q24-S27 PolarHBondContact O-N 2.84Å; Q24-V28 HydrophobicContact CG-CG2 4.42Å; Q24-V28 WeakPolarHBondContact O-CB 3.5Å; Q24-V28 VanDerWaalsContact O-CG2 3.26Å; Q24-V28 WeakPolarHBondContact O-CG2 3.28Å; Q24-V28 PolarHBondContact O-N 3.2Å; Q24-F226 HydrophobicContact CG-CE1 4.33Å; Q24-F226 HydrophobicContact CG-CZ 4.04Å; Q24-L230 HydrophobicContact CB-CD1 4.45Å |
| 25 | L | 97.4 | Very high | 95.8 | Very high | 16 Ų | 16 | 29.9 Ų | 29.9 | 8% | 0.084 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -67.1 | -42.8 | -176.6 | -64.9 | 172 | 0 | 0 | 0 | 111.4 | Q21 V22 S27 V28 A29 M242 I245 | Q21-L25 WeakPolarHBondContact O-CD1 3.11Å; Q21-L25 WeakPolarHBondContact O-CG 3.24Å; V22-L25 PolarHBondContact O-N 3.38Å; L25-S27 PolarHBondContact O-N 3.16Å; L25-V28 PolarHBondContact O-N 3.43Å; L25-A29 PolarHBondContact O-N 3.41Å; L25-A29 VanDerWaalsContact O-N 3.11Å; L25-M242 HydrophobicContact CD1-CE 3.59Å; L25-M242 HydrophobicContact CD1-SD 4.11Å; L25-I245 HydrophobicContact CB-CG2 3.46Å; L25-I245 VanDerWaalsContact CB-CG2 3.46Å; L25-I245 HydrophobicContact CD1-CG2 3.67Å; L25-I245 HydrophobicContact CG-CG2 4.17Å |
| 26 | Y | 98.1 | Very high | 95.5 | Very high | 21 Ų | 21 | 29.7 Ų | 29.7 | 8% | 0.082 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -56.1 | -51 | 171.3 | 176.3 | -84.9 | 0 | 0 | 0 | 111.4 | V22 V28 A29 E30 W233 K236 W237 L240 M248 | V22-Y26 PolarHBondContact O-N 3.12Å; Y26-V28 VanDerWaalsContact C-N 3.31Å; Y26-V28 PolarHBondContact O-N 3.25Å; Y26-A29 WeakPolarHBondContact O-CB 3.42Å; Y26-A29 PolarHBondContact O-N 2.77Å; Y26-A29 VanDerWaalsContact O-N 3.14Å; Y26-E30 HydrophobicContact CD1-CG 4.21Å; Y26-E30 HydrophobicContact CE1-CB 4.48Å; Y26-E30 HydrophobicContact CE1-CG 3.58Å; Y26-E30 HydrophobicContact CE2-CG 4.39Å; Y26-E30 PolarHBondContact O-N 3.28Å; Y26-W233 HydrophobicContact CD1-CE3 4.45Å; Y26-W233 HydrophobicContact CE1-CB 4.14Å; Y26-W233 HydrophobicContact CE1-CD2 4.47Å; Y26-W233 HydrophobicContact CE1-CE3 4.11Å; Y26-K236 HydrophobicContact CE1-CB 4.12Å; Y26-K236 HydrophobicContact CE1-CD 4.45Å; Y26-K236 HydrophobicContact CE2-CB 4.22Å; Y26-K236 VanDerWaalsContact OH-CD 3.25Å; Y26-K236 WeakPolarHBondContact OH-CD 3.5Å; Y26-W237 HydrophobicContact CD1-CB 3.89Å; Y26-W237 AromaticContact CD1-CD1 3.7Å; Y26-W237 HydrophobicContact CD1-CG 4.15Å; Y26-W237 HydrophobicContact CD2-CB 3.89Å; Y26-W237 HydrophobicContact CG-CB 3.55Å; Y26-W237 HydrophobicContact CG-CG 4.23Å; Y26-L240 HydrophobicContact CD2-CD1 3.55Å; Y26-L240 HydrophobicContact CE2-CD1 4.16Å; Y26-L240 HydrophobicContact CG-CD1 4.43Å; Y26-M248 HydrophobicContact CD2-CE 3.53Å; Y26-M248 HydrophobicContact CD2-SD 3.99Å; Y26-M248 HydrophobicContact CE2-CE 3.62Å; Y26-M248 HydrophobicContact CE2-SD 4.3Å |
| 27 | S | 97.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -68 | -32.7 | -175.3 | -56 | 0 | 0 | 0 | 0 | 111.9 | G23 Q24 L25 A31 L230 | G23-S27 WeakPolarHBondContact O-CB 3.31Å; G23-S27 PolarHBondContact O-N 3.46Å; G23-S27 PolarHBondContact O-OG 3.01Å; Q24-S27 PolarHBondContact O-N 2.84Å; L25-S27 PolarHBondContact O-N 3.16Å; S27-A31 WeakPolarHBondContact O-CB 3.44Å; S27-A31 PolarHBondContact O-N 3.44Å; S27-L230 WeakPolarHBondContact OG-CA 3.15Å |
| 28 | V | 95 | Very high | 94.3 | Very high | 42 Ų | 42 | 29.3 Ų | 29.3 | 26% | 0.255 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -63 | -43.8 | 172.5 | 165.7 | 0 | 0 | 0 | 0 | 110.4 | Q24 L25 Y26 S32 F226 | Q24-V28 HydrophobicContact CG-CG2 4.42Å; Q24-V28 WeakPolarHBondContact O-CB 3.5Å; Q24-V28 VanDerWaalsContact O-CG2 3.26Å; Q24-V28 WeakPolarHBondContact O-CG2 3.28Å; Q24-V28 PolarHBondContact O-N 3.2Å; L25-V28 PolarHBondContact O-N 3.43Å; Y26-V28 VanDerWaalsContact C-N 3.31Å; Y26-V28 PolarHBondContact O-N 3.25Å; V28-S32 VanDerWaalsContact O-CB 3.27Å; V28-S32 WeakPolarHBondContact O-CB 3.41Å; V28-S32 PolarHBondContact O-N 3.02Å; V28-S32 PolarHBondContact O-OG 2.75Å; V28-F226 HydrophobicContact CG2-CE2 3.73Å; V28-F226 HydrophobicContact CG2-CZ 3.86Å |
| 29 | A | 94.7 | Very high | 93.7 | Very high | 7 Ų | 7 | 25 Ų | 25 | 6% | 0.058 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61 | -49.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L25 Y26 S32 K33 T252 | L25-A29 PolarHBondContact O-N 3.41Å; L25-A29 VanDerWaalsContact O-N 3.11Å; Y26-A29 WeakPolarHBondContact O-CB 3.42Å; Y26-A29 PolarHBondContact O-N 2.77Å; Y26-A29 VanDerWaalsContact O-N 3.14Å; A29-S32 WeakPolarHBondContact O-CB 3.47Å; A29-S32 PolarHBondContact O-N 3.48Å; A29-K33 WeakPolarHBondContact O-CG 3.34Å; A29-K33 PolarHBondContact O-N 3.15Å; A29-K33 VanDerWaalsContact O-N 3.16Å; A29-T252 HydrophobicContact CB-CG2 4.02Å |
| 30 | E | 95.1 | Very high | 93.2 | Very high | 40 Ų | 40 | 23.5 Ų | 23.5 | 19% | 0.187 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -67.5 | -43.9 | -179.5 | -68.9 | -65.5 | 105.8 | 0 | 0 | 112.7 | Y26 S32 K33 N34 W233 | Y26-E30 HydrophobicContact CD1-CG 4.21Å; Y26-E30 HydrophobicContact CE1-CB 4.48Å; Y26-E30 HydrophobicContact CE1-CG 3.58Å; Y26-E30 HydrophobicContact CE2-CG 4.39Å; Y26-E30 PolarHBondContact O-N 3.28Å; E30-S32 VanDerWaalsContact C-N 3.26Å; E30-S32 PolarHBondContact O-N 2.82Å; E30-K33 WeakPolarHBondContact O-CB 3.22Å; E30-K33 PolarHBondContact O-N 3.32Å; E30-K33 VanDerWaalsContact O-N 3.15Å; E30-K33 IonicContact OE1-NZ 2.85Å; E30-K33 PolarHBondContact OE1-NZ 3.07Å; E30-N34 PolarHBondContact O-N 3.42Å; E30-W233 HydrophobicContact CB-CE3 4.23Å; E30-W233 HydrophobicContact CB-CH2 3.98Å; E30-W233 HydrophobicContact CB-CZ3 3.63Å |
| 31 | A | 91.6 | Very high | 92.8 | Very high | 20 Ų | 20 | 23.7 Ų | 23.7 | 17% | 0.165 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61 | -37.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | S27 K33 N34 E35 | S27-A31 WeakPolarHBondContact O-CB 3.44Å; S27-A31 PolarHBondContact O-N 3.44Å; A31-K33 VanDerWaalsContact C-N 3.31Å; A31-K33 PolarHBondContact O-N 2.72Å; A31-N34 PolarHBondContact O-N 3.25Å; A31-E35 WeakPolarHBondContact O-CG 3.41Å; A31-E35 PolarHBondContact O-N 3.14Å |
| 32 | S | 91.5 | Very high | 92.6 | Very high | 7 Ų | 7 | 21.6 Ų | 21.6 | 5% | 0.049 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.6 | -40.4 | 176 | -58.8 | 0 | 0 | 0 | 0 | 112 | V28 A29 E30 E35 T36 I42 L256 | V28-S32 VanDerWaalsContact O-CB 3.27Å; V28-S32 WeakPolarHBondContact O-CB 3.41Å; V28-S32 PolarHBondContact O-N 3.02Å; V28-S32 PolarHBondContact O-OG 2.75Å; A29-S32 WeakPolarHBondContact O-CB 3.47Å; A29-S32 PolarHBondContact O-N 3.48Å; E30-S32 VanDerWaalsContact C-N 3.26Å; E30-S32 PolarHBondContact O-N 2.82Å; S32-E35 PolarHBondContact O-N 3.48Å; S32-T36 WeakPolarHBondContact O-CB 3.49Å; S32-T36 PolarHBondContact O-N 3.37Å; S32-T36 PolarHBondContact O-OG1 3.49Å; S32-I42 WeakPolarHBondContact OG-CD1 3.31Å; S32-L256 VanDerWaalsContact C-CD2 3.5Å; S32-L256 WeakPolarHBondContact O-CD2 3.34Å |
| 33 | K | 92.1 | Very high | 92.4 | Very high | 35 Ų | 35 | 22.7 Ų | 22.7 | 15% | 0.152 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -66 | -42.2 | 176.4 | -65.2 | 173.5 | -166.9 | -174 | 0 | 111.1 | A29 E30 A31 E35 T36 T252 E255 L256 M259 | A29-K33 WeakPolarHBondContact O-CG 3.34Å; A29-K33 PolarHBondContact O-N 3.15Å; A29-K33 VanDerWaalsContact O-N 3.16Å; E30-K33 WeakPolarHBondContact O-CB 3.22Å; E30-K33 PolarHBondContact O-N 3.32Å; E30-K33 VanDerWaalsContact O-N 3.15Å; E30-K33 IonicContact OE1-NZ 2.85Å; E30-K33 PolarHBondContact OE1-NZ 3.07Å; A31-K33 VanDerWaalsContact C-N 3.31Å; A31-K33 PolarHBondContact O-N 2.72Å; K33-E35 PolarHBondContact O-N 3.19Å; K33-T36 PolarHBondContact O-N 2.84Å; K33-T252 VanDerWaalsContact CE-OG1 3.22Å; K33-T252 WeakPolarHBondContact CE-OG1 3.3Å; K33-T252 HydrophobicContact CG-CG2 4.26Å; K33-E255 WeakPolarHBondContact CE-OE2 3.34Å; K33-E255 IonicContact NZ-OE2 2.97Å; K33-E255 PolarHBondContact NZ-OE2 3.15Å; K33-L256 HydrophobicContact CB-CD2 4.48Å; K33-L256 HydrophobicContact CG-CD2 4.05Å; K33-M259 HydrophobicContact CB-CE 4.32Å; K33-M259 HydrophobicContact CB-SD 4.38Å; K33-M259 HydrophobicContact CG-SD 4.5Å; K33-M259 WeakPolarHBondContact O-CE 3.27Å |
| 34 | N | 89.8 | Confident | 92.2 | Very high | 63 Ų | 63 | 23.9 Ų | 23.9 | 34% | 0.337 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -62.8 | -28.2 | 178 | -70.7 | -21.8 | 0 | 0 | 0 | 112.9 | E30 A31 R266 G267 | E30-N34 PolarHBondContact O-N 3.42Å; A31-N34 PolarHBondContact O-N 3.25Å; N34-R266 WeakPolarHBondContact O-CG 3.5Å; N34-G267 WeakPolarHBondContact O-CA 3.49Å |
| 35 | E | 88.1 | Confident | 92 | Very high | 47 Ų | 47 | 26.1 Ų | 26.1 | 22% | 0.22 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | -0.1 | -179.1 | -66.8 | -59.2 | 152.3 | 0 | 0 | 114.7 | A31 S32 K33 G41 K69 G267 T268 | A31-E35 WeakPolarHBondContact O-CG 3.41Å; A31-E35 PolarHBondContact O-N 3.14Å; S32-E35 PolarHBondContact O-N 3.48Å; K33-E35 PolarHBondContact O-N 3.19Å; E35-G41 VanDerWaalsContact O-CA 3.28Å; E35-G41 WeakPolarHBondContact O-CA 3.42Å; E35-K69 PolarHBondContact O-NZ 3.01Å; E35-K69 IonicContact OE2-NZ 2.82Å; E35-K69 PolarHBondContact OE2-NZ 3.49Å; E35-G267 WeakPolarHBondContact OE2-CA 3.49Å; E35-T268 VanDerWaalsContact CD-N 3.28Å; E35-T268 WeakPolarHBondContact OE1-CB 3.39Å; E35-T268 PolarHBondContact OE1-N 3.22Å; E35-T268 PolarHBondContact OE1-OG1 3.45Å; E35-T268 PolarHBondContact OE2-N 3.39Å |
| 36 | T | 89.4 | Confident | 91.9 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | -113.7 | 128.8 | -172.6 | -57.7 | 0 | 0 | 0 | 0 | 112.7 | S32 K33 I42 L256 M259 R260 R266 | S32-T36 WeakPolarHBondContact O-CB 3.49Å; S32-T36 PolarHBondContact O-N 3.37Å; S32-T36 PolarHBondContact O-OG1 3.49Å; K33-T36 PolarHBondContact O-N 2.84Å; T36-I42 PolarHBondContact OG1-N 3.36Å; T36-L256 HydrophobicContact CG2-CD2 4.11Å; T36-L256 WeakPolarHBondContact OG1-CD2 3.42Å; T36-M259 HydrophobicContact CG2-CB 4.21Å; T36-M259 WeakPolarHBondContact O-CE 3.19Å; T36-R260 HydrophobicContact CG2-CB 3.81Å; T36-R266 WeakPolarHBondContact O-CD 3.39Å | ||
| 37 | G | 89.5 | Confident | 91.8 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | B | Isolated β-bridge | trans | 168.9 | 149.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | G39 E40 M259 S264 | G37-G39 VanDerWaalsContact C-N 3.34Å; G37-G39 PolarHBondContact O-N 3.3Å; G37-E40 PolarHBondContact N-O 3.04Å; G37-E40 PolarHBondContact O-N 2.91Å; G37-E40 VanDerWaalsContact O-N 3.11Å; G37-M259 WeakPolarHBondContact CA-O 3.33Å; G37-S264 CarbonylContact C-O 3.55Å; G37-S264 WeakPolarHBondContact CA-O 3.2Å |
| 38 | G | 83.2 | Confident | 91.7 | Very high | 31 Ų | 31 | 34.5 Ų | 34.5 | 32% | 0.32 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.6 | 35.2 | 168.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | E40 G263 | G38-E40 VanDerWaalsContact C-N 3.33Å; G38-G263 VanDerWaalsContact CA-O 3.28Å; G38-G263 WeakPolarHBondContact CA-O 3.34Å |
| 39 | G | 84 | Confident | 91.7 | Very high | 45 Ų | 45 | 37.5 Ų | 37.5 | 46% | 0.464 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.7 | -3.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | G37 R260 | G37-G39 VanDerWaalsContact C-N 3.34Å; G37-G39 PolarHBondContact O-N 3.3Å; G39-R260 VanDerWaalsContact CA-O 3.29Å; G39-R260 WeakPolarHBondContact CA-O 3.44Å; G39-R260 PolarHBondContact N-O 3.2Å |
| 40 | E | 88.5 | Confident | 91.8 | Very high | 11 Ų | 11 | 38.8 Ų | 38.8 | 5% | 0.051 | 22% | 0.22 | C | C | . | . | B | Isolated β-bridge | trans | -119.1 | 164 | -179.5 | -66.6 | -172.6 | -130.4 | 0 | 0 | 112 | G37 G38 H65 K67 S68 K69 V265 | G37-E40 PolarHBondContact N-O 3.04Å; G37-E40 PolarHBondContact O-N 2.91Å; G37-E40 VanDerWaalsContact O-N 3.11Å; G38-E40 VanDerWaalsContact C-N 3.33Å; E40-H65 WeakPolarHBondContact CA-O 3.44Å; E40-H65 WeakPolarHBondContact CB-O 3.38Å; E40-K67 HydrophobicContact CG-CB 4.07Å; E40-K67 PolarHBondContact OE2-N 3.36Å; E40-K67 VanDerWaalsContact OE2-N 3.1Å; E40-S68 VanDerWaalsContact CD-OG 3.3Å; E40-S68 VanDerWaalsContact OE1-CB 3.22Å; E40-S68 WeakPolarHBondContact OE1-CB 3.33Å; E40-S68 PolarHBondContact OE1-N 2.85Å; E40-S68 PolarHBondContact OE1-OG 3.32Å; E40-S68 PolarHBondContact OE2-N 3.1Å; E40-S68 PolarHBondContact OE2-OG 3.02Å; E40-K69 WeakPolarHBondContact OE2-CG 3.28Å; E40-K69 PolarHBondContact OE2-N 3.11Å; E40-V265 HydrophobicContact CG-CG2 4.48Å |
| 41 | G | 90.1 | Very high | 91.8 | Very high | 3 Ų | 3 | 43.1 Ų | 43.1 | 3% | 0.031 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 108 | -144.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | E35 H65 | E35-G41 VanDerWaalsContact O-CA 3.28Å; E35-G41 WeakPolarHBondContact O-CA 3.42Å; G41-H65 PolarHBondContact N-O 2.84Å; G41-H65 PolarHBondContact O-N 3.35Å |
| 42 | I | 93.3 | Very high | 91.8 | Very high | 20 Ų | 20 | 48.5 Ų | 48.5 | 10% | 0.103 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 131.4 | -164.5 | -55 | -172.6 | 0 | 0 | 0 | 110.8 | S32 T36 K62 Y64 L256 | S32-I42 WeakPolarHBondContact OG-CD1 3.31Å; T36-I42 PolarHBondContact OG1-N 3.36Å; I42-K62 HydrophobicContact CG2-CB 4.33Å; I42-K62 HydrophobicContact CG2-CD 4Å; I42-Y64 HydrophobicContact CB-CD1 4.4Å; I42-Y64 HydrophobicContact CB-CE1 4.42Å; I42-Y64 HydrophobicContact CD1-CD1 4.26Å; I42-Y64 HydrophobicContact CD1-CE1 3.74Å; I42-Y64 HydrophobicContact CG1-CD1 3.8Å; I42-Y64 HydrophobicContact CG1-CE1 3.78Å; I42-Y64 HydrophobicContact CG2-CD1 4.28Å; I42-Y64 HydrophobicContact CG2-CE1 4Å; I42-L256 HydrophobicContact CG2-CD1 4.4Å |
| 43 | E | 94.1 | Very high | 91.8 | Very high | 41 Ų | 41 | 55.7 Ų | 55.7 | 19% | 0.192 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 129 | 168.3 | 167.9 | 176.6 | -133.4 | 0 | 0 | 109.2 | L45 K62 I63 H65 R260 | E43-L45 HydrophobicContact CG-CD2 3.92Å; E43-K62 CarbonylContact O-C 3.59Å; E43-K62 WeakPolarHBondContact O-CA 3.35Å; E43-K62 WeakPolarHBondContact O-CB 3.28Å; E43-I63 HydrophobicContact CB-CB 4.3Å; E43-I63 PolarHBondContact N-O 2.99Å; E43-I63 PolarHBondContact O-N 3.25Å; E43-H65 IonicContact OE2-CE1 3.79Å; E43-H65 IonicContact OE2-NE2 3.6Å; E43-H65 PolarHBondContact OE2-NE2 3.02Å; E43-R260 VanDerWaalsContact CD-CZ 3.5Å; E43-R260 VanDerWaalsContact CD-NH2 3.3Å; E43-R260 IonicContact OE1-CZ 3.49Å; E43-R260 IonicContact OE1-NH1 3.54Å; E43-R260 PolarHBondContact OE1-NH1 2.9Å; E43-R260 IonicContact OE1-NH2 3.5Å; E43-R260 PolarHBondContact OE1-NH2 3.21Å; E43-R260 IonicContact OE2-CZ 2.73Å; E43-R260 IonicContact OE2-NH1 3.42Å; E43-R260 PolarHBondContact OE2-NH1 3.28Å; E43-R260 IonicContact OE2-NH2 2.68Å |
| 44 | V | 94.9 | Very high | 91.7 | Very high | 25 Ų | 25 | 57.3 Ų | 57.3 | 15% | 0.152 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 115.1 | 176.2 | -176.5 | 0 | 0 | 0 | 0 | 108.5 | N47 K62 Q253 L256 | V44-N47 HydrophobicContact CG1-CB 4.33Å; V44-K62 HydrophobicContact CG2-CD 4.37Å; V44-K62 HydrophobicContact CG2-CG 4.21Å; V44-Q253 HydrophobicContact CB-CB 4.35Å; V44-Q253 HydrophobicContact CB-CG 3.99Å; V44-Q253 HydrophobicContact CG1-CG 4.4Å; V44-Q253 PolarHBondContact O-NE2 2.79Å; V44-L256 HydrophobicContact CG2-CD1 4.07Å |
| 45 | L | 95 | Very high | 91.8 | Very high | 74 Ų | 74 | 57.7 Ų | 57.7 | 39% | 0.387 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | -39.3 | 177.6 | -65 | -174.3 | 0 | 0 | 0 | 112.4 | E43 H61 I63 | E43-L45 HydrophobicContact CG-CD2 3.92Å; L45-H61 WeakPolarHBondContact CA-O 3.49Å; L45-H61 HydrophobicContact CB-CB 4.47Å; L45-H61 WeakPolarHBondContact CB-O 3.4Å; L45-H61 PolarHBondContact N-O 2.98Å; L45-I63 HydrophobicContact CD1-CD1 3.48Å; L45-I63 VanDerWaalsContact CD1-CD1 3.48Å; L45-I63 HydrophobicContact CD1-CG1 3.78Å; L45-I63 HydrophobicContact CD2-CD1 4.32Å; L45-I63 HydrophobicContact CG-CD1 4.05Å; L45-I63 HydrophobicContact CG-CG1 4.14Å |
| 46 | K | 95.3 | Very high | 92.2 | Very high | 96 Ų | 96 | 61.7 Ų | 61.7 | 42% | 0.417 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 140.8 | 179.1 | -63.3 | -176.8 | 164.1 | -153.5 | 0 | 110.5 | E48 Y59 T60 H61 | K46-E48 IonicContact NZ-OE1 3.45Å; K46-E48 PolarHBondContact NZ-OE1 3.09Å; K46-Y59 HydrophobicContact CB-CD1 4.49Å; K46-Y59 HydrophobicContact CB-CE1 4.27Å; K46-Y59 HydrophobicContact CD-CE1 3.89Å; K46-T60 CarbonylContact O-C 3.56Å; K46-T60 VanDerWaalsContact O-CA 3.25Å; K46-T60 WeakPolarHBondContact O-CA 3.41Å; K46-H61 HydrophobicContact CB-CB 4.01Å; K46-H61 HydrophobicContact CG-CB 4.38Å; K46-H61 PolarHBondContact N-O 3.1Å; K46-H61 VanDerWaalsContact N-O 3.13Å; K46-H61 PolarHBondContact O-N 2.79Å |
| 47 | N | 94.8 | Very high | 92.5 | Very high | 32 Ų | 32 | 62.6 Ų | 62.6 | 17% | 0.171 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 94.9 | 166.9 | -178.5 | 16.5 | 0 | 0 | 0 | 107.3 | V44 Q58 Y59 T60 E249 | V44-N47 HydrophobicContact CG1-CB 4.33Å; N47-Q58 VanDerWaalsContact OD1-CG 3.3Å; N47-Q58 WeakPolarHBondContact OD1-CG 3.35Å; N47-Q58 PolarHBondContact OD1-NE2 3.04Å; N47-Y59 WeakPolarHBondContact CA-O 3.31Å; N47-T60 HydrophobicContact CB-CG2 4.29Å; N47-E249 WeakPolarHBondContact ND2-CB 3.21Å; N47-E249 PolarHBondContact ND2-OE2 3.36Å |
| 48 | E | 94.9 | Very high | 92.8 | Very high | 85 Ų | 85 | 63.6 Ų | 63.6 | 40% | 0.397 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 148 | -172 | 62.7 | -168.9 | 168.7 | 0 | 0 | 111.5 | K46 Y59 | K46-E48 IonicContact NZ-OE1 3.45Å; K46-E48 PolarHBondContact NZ-OE1 3.09Å; E48-Y59 HydrophobicContact CG-CD1 4.17Å; E48-Y59 PolarHBondContact N-O 2.88Å; E48-Y59 PolarHBondContact O-N 2.82Å |
| 49 | P | 95.9 | Very high | 93.5 | Very high | 105 Ų | 105 | 63.5 Ų | 63.5 | 68% | 0.682 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 147.7 | 170.8 | 28.1 | -34.3 | 0 | 0 | 0 | 110.2 | G57 | P49-G57 WeakPolarHBondContact CA-O 3.22Å |
| 50 | Y | 96.6 | Very high | 94.1 | Very high | 34 Ų | 34 | 62.3 Ų | 62.3 | 13% | 0.133 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 154.7 | 172.6 | 80.1 | -80.2 | 0 | 0 | 0 | 111.6 | K52 E55 K56 G57 W90 | Y50-K52 HydrophobicContact CD2-CB 4.22Å; Y50-E55 HydrophobicContact CE2-CG 4.39Å; Y50-E55 WeakPolarHBondContact CE2-OE1 3.45Å; Y50-E55 PolarHBondContact OH-OE1 3.45Å; Y50-K56 WeakPolarHBondContact O-CA 3.46Å; Y50-G57 VanDerWaalsContact CD1-C 3.41Å; Y50-G57 WeakPolarHBondContact CD1-O 3.36Å; Y50-G57 VanDerWaalsContact CE1-C 3.42Å; Y50-G57 PolarHBondContact N-O 3.02Å; Y50-G57 PolarHBondContact O-N 2.82Å; Y50-G57 VanDerWaalsContact O-N 3.07Å; Y50-W90 HydrophobicContact CE1-CB 4.14Å; Y50-W90 AromaticContact CE2-CD1 3.84Å; Y50-W90 AromaticContact CZ-CD1 3.78Å |
| 51 | E | 95.8 | Very high | 94.5 | Very high | 130 Ų | 130 | 63 Ų | 63 | 61% | 0.607 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 122.1 | 168.9 | 179.8 | 164.6 | -179.4 | 0 | 0 | 108.2 | E55 K56 | E51-E55 CarbonylContact C-O 3.56Å; E51-E55 VanDerWaalsContact CA-O 3.3Å; E51-E55 WeakPolarHBondContact CA-O 3.37Å; E51-K56 HydrophobicContact CB-CG 4.21Å; E51-K56 HydrophobicContact CG-CD 4.49Å; E51-K56 HydrophobicContact CG-CG 3.88Å; E51-K56 WeakPolarHBondContact OE1-CE 3.49Å; E51-K56 IonicContact OE1-NZ 2.64Å; E51-K56 PolarHBondContact OE1-NZ 3.05Å; E51-K56 WeakPolarHBondContact OE2-CE 3.24Å; E51-K56 IonicContact OE2-NZ 2.68Å; E51-K56 PolarHBondContact OE2-NZ 3.39Å |
| 52 | K | 91.8 | Very high | 94.8 | Very high | 133 Ų | 133 | 63.8 Ų | 63.8 | 58% | 0.578 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -148 | 129.4 | 179.4 | -174.5 | 178.4 | 177.5 | -176.6 | 0 | 110.4 | Y50 G54 E55 | Y50-K52 HydrophobicContact CD2-CB 4.22Å; K52-G54 PolarHBondContact O-N 3.1Å; K52-G54 VanDerWaalsContact O-N 3.08Å; K52-E55 PolarHBondContact N-O 3.45Å; K52-E55 WeakPolarHBondContact O-CA 3.46Å; K52-E55 WeakPolarHBondContact O-CB 3.42Å; K52-E55 PolarHBondContact O-N 3.5Å |
| 53 | D | 91.7 | Very high | 94.9 | Very high | 158 Ų | 158 | 63.7 Ų | 63.7 | 85% | 0.845 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 33.2 | 176.3 | -53.9 | -38.5 | 0 | 0 | 0 | 113.6 | E55 | D53-E55 VanDerWaalsContact C-N 3.29Å; D53-E55 PolarHBondContact O-N 2.8Å |
| 54 | G | 88.7 | Confident | 94.9 | Very high | 70 Ų | 70 | 64 Ų | 64 | 72% | 0.722 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83 | -8.2 | -177 | 0 | 0 | 0 | 0 | 0 | 115.3 | K52 | K52-G54 PolarHBondContact O-N 3.1Å; K52-G54 VanDerWaalsContact O-N 3.08Å |
| 55 | E | 92.8 | Very high | 94.8 | Very high | 70 Ų | 70 | 64.4 Ų | 64.4 | 33% | 0.327 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 131.1 | 170.8 | -170.8 | -177.1 | 80.5 | 0 | 0 | 110 | Y50 E51 K52 D53 A92 | Y50-E55 HydrophobicContact CE2-CG 4.39Å; Y50-E55 WeakPolarHBondContact CE2-OE1 3.45Å; Y50-E55 PolarHBondContact OH-OE1 3.45Å; E51-E55 CarbonylContact C-O 3.56Å; E51-E55 VanDerWaalsContact CA-O 3.3Å; E51-E55 WeakPolarHBondContact CA-O 3.37Å; K52-E55 PolarHBondContact N-O 3.45Å; K52-E55 WeakPolarHBondContact O-CA 3.46Å; K52-E55 WeakPolarHBondContact O-CB 3.42Å; K52-E55 PolarHBondContact O-N 3.5Å; D53-E55 VanDerWaalsContact C-N 3.29Å; D53-E55 PolarHBondContact O-N 2.8Å; E55-A92 HydrophobicContact CG-CB 3.52Å |
| 56 | K | 95.5 | Very high | 94.3 | Very high | 131 Ų | 131 | 63.3 Ų | 63.3 | 57% | 0.57 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 141.4 | 175.7 | -60.9 | -175.8 | -166.8 | -128.1 | 0 | 109.5 | Y50 E51 A92 | Y50-K56 WeakPolarHBondContact O-CA 3.46Å; E51-K56 HydrophobicContact CB-CG 4.21Å; E51-K56 HydrophobicContact CG-CD 4.49Å; E51-K56 HydrophobicContact CG-CG 3.88Å; E51-K56 WeakPolarHBondContact OE1-CE 3.49Å; E51-K56 IonicContact OE1-NZ 2.64Å; E51-K56 PolarHBondContact OE1-NZ 3.05Å; E51-K56 WeakPolarHBondContact OE2-CE 3.24Å; E51-K56 IonicContact OE2-NZ 2.68Å; E51-K56 PolarHBondContact OE2-NZ 3.39Å; K56-A92 WeakPolarHBondContact O-CB 3.34Å |
| 57 | G | 95.9 | Very high | 93.6 | Very high | 20 Ų | 20 | 65.5 Ų | 65.5 | 21% | 0.206 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -176.8 | -161.1 | -180 | 0 | 0 | 0 | 0 | 0 | 113.2 | P49 Y50 N91 | P49-G57 WeakPolarHBondContact CA-O 3.22Å; Y50-G57 VanDerWaalsContact CD1-C 3.41Å; Y50-G57 WeakPolarHBondContact CD1-O 3.36Å; Y50-G57 VanDerWaalsContact CE1-C 3.42Å; Y50-G57 PolarHBondContact N-O 3.02Å; Y50-G57 PolarHBondContact O-N 2.82Å; Y50-G57 VanDerWaalsContact O-N 3.07Å; G57-N91 CarbonylContact C-O 3.57Å; G57-N91 WeakPolarHBondContact CA-O 3Å |
| 58 | Q | 96.3 | Very high | 93 | Very high | 21 Ų | 21 | 66 Ų | 66 | 10% | 0.098 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 129.3 | 172.6 | -161.4 | 74.8 | 11.3 | 0 | 0 | 110.3 | N47 N91 R246 | N47-Q58 VanDerWaalsContact OD1-CG 3.3Å; N47-Q58 WeakPolarHBondContact OD1-CG 3.35Å; N47-Q58 PolarHBondContact OD1-NE2 3.04Å; Q58-N91 HydrophobicContact CB-CB 4.47Å; Q58-N91 PolarHBondContact N-O 3.29Å; Q58-N91 PolarHBondContact O-N 2.86Å; Q58-R246 VanDerWaalsContact CD-CZ 3.4Å; Q58-R246 VanDerWaalsContact OE1-CZ 3.27Å |
| 59 | Y | 97.4 | Very high | 92.4 | Very high | 29 Ų | 29 | 62.7 Ų | 62.7 | 11% | 0.114 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 132.1 | 171.6 | 174.7 | -108.4 | 0 | 0 | 0 | 109.4 | K46 N47 E48 H61 K88 A89 W90 | K46-Y59 HydrophobicContact CB-CD1 4.49Å; K46-Y59 HydrophobicContact CB-CE1 4.27Å; K46-Y59 HydrophobicContact CD-CE1 3.89Å; N47-Y59 WeakPolarHBondContact CA-O 3.31Å; E48-Y59 HydrophobicContact CG-CD1 4.17Å; E48-Y59 PolarHBondContact N-O 2.88Å; E48-Y59 PolarHBondContact O-N 2.82Å; Y59-H61 HydrophobicContact CE1-CB 4.11Å; Y59-K88 HydrophobicContact CE2-CB 4.14Å; Y59-K88 HydrophobicContact CE2-CG 4.48Å; Y59-K88 WeakPolarHBondContact OH-CD 3.19Å; Y59-K88 WeakPolarHBondContact OH-CG 3.47Å; Y59-A89 WeakPolarHBondContact CA-O 3.46Å; Y59-A89 WeakPolarHBondContact CD2-O 3.3Å; Y59-W90 AromaticContact CD2-CD1 3.88Å; Y59-W90 HydrophobicContact CD2-CD2 4.2Å; Y59-W90 AromaticContact CD2-CE2 3.76Å; Y59-W90 HydrophobicContact CD2-CG 4.29Å; Y59-W90 HydrophobicContact CD2-CZ2 4.26Å; Y59-W90 AromaticContact CD2-NE1 3.52Å; Y59-W90 HydrophobicContact CE2-CD2 4.35Å; Y59-W90 AromaticContact CE2-CE2 3.72Å; Y59-W90 HydrophobicContact CE2-CH2 4.34Å; Y59-W90 AromaticContact CE2-CZ2 3.73Å; Y59-W90 HydrophobicContact CE2-CZ2 3.73Å; Y59-W90 AromaticContact CE2-NE1 3.89Å |
| 60 | T | 97.1 | Very high | 91.7 | Very high | 21 Ų | 21 | 58.4 Ų | 58.4 | 13% | 0.129 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 145 | 169.9 | 59.5 | 0 | 0 | 0 | 0 | 110.9 | K46 N47 K88 A89 | K46-T60 CarbonylContact O-C 3.56Å; K46-T60 VanDerWaalsContact O-CA 3.25Å; K46-T60 WeakPolarHBondContact O-CA 3.41Å; N47-T60 HydrophobicContact CB-CG2 4.29Å; T60-K88 WeakPolarHBondContact O-CA 3.49Å; T60-A89 PolarHBondContact N-O 3.39Å; T60-A89 PolarHBondContact O-N 3.41Å |
| 61 | H | 97.6 | Very high | 90.9 | Very high | 24 Ų | 24 | 56.8 Ų | 56.8 | 11% | 0.111 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 115.7 | 168.6 | -177.5 | -170.6 | 0 | 0 | 0 | 107.8 | L45 K46 Y59 H86 E87 K88 | L45-H61 WeakPolarHBondContact CA-O 3.49Å; L45-H61 HydrophobicContact CB-CB 4.47Å; L45-H61 WeakPolarHBondContact CB-O 3.4Å; L45-H61 PolarHBondContact N-O 2.98Å; K46-H61 HydrophobicContact CB-CB 4.01Å; K46-H61 HydrophobicContact CG-CB 4.38Å; K46-H61 PolarHBondContact N-O 3.1Å; K46-H61 VanDerWaalsContact N-O 3.13Å; K46-H61 PolarHBondContact O-N 2.79Å; Y59-H61 HydrophobicContact CE1-CB 4.11Å; H61-H86 AromaticContact CE1-ND1 3.72Å; H61-H86 AromaticContact NE2-CG 3.85Å; H61-H86 AromaticContact NE2-ND1 3.14Å; H61-H86 PolarHBondContact NE2-ND1 3.26Å; H61-H86 VanDerWaalsContact NE2-ND1 3.14Å; H61-E87 CarbonylContact C-O 3.17Å; H61-E87 WeakPolarHBondContact CA-O 3.45Å; H61-E87 PolarHBondContact CD2-O 3.06Å; H61-K88 HydrophobicContact CB-CG 4.46Å |
| 62 | K | 96.5 | Very high | 90.2 | Very high | 21 Ų | 21 | 53.3 Ų | 53.3 | 9% | 0.091 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 156 | 177.7 | -54 | -179.9 | -171.9 | 167.7 | 0 | 111.1 | I42 E43 V44 Y64 E87 | I42-K62 HydrophobicContact CG2-CB 4.33Å; I42-K62 HydrophobicContact CG2-CD 4Å; E43-K62 CarbonylContact O-C 3.59Å; E43-K62 WeakPolarHBondContact O-CA 3.35Å; E43-K62 WeakPolarHBondContact O-CB 3.28Å; V44-K62 HydrophobicContact CG2-CD 4.37Å; V44-K62 HydrophobicContact CG2-CG 4.21Å; K62-Y64 HydrophobicContact CB-CE1 4.32Å; K62-E87 HydrophobicContact CB-CB 4.34Å; K62-E87 PolarHBondContact N-O 3.23Å; K62-E87 IonicContact NZ-OE1 3.33Å; K62-E87 PolarHBondContact O-N 3.25Å |
| 63 | I | 95.3 | Very high | 89.5 | Confident | 18 Ų | 18 | 49.1 Ų | 49.1 | 9% | 0.092 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 129.8 | 170.7 | -61.5 | -179.1 | 0 | 0 | 0 | 108.9 | E43 L45 H65 V84 F85 | E43-I63 HydrophobicContact CB-CB 4.3Å; E43-I63 PolarHBondContact N-O 2.99Å; E43-I63 PolarHBondContact O-N 3.25Å; L45-I63 HydrophobicContact CD1-CD1 3.48Å; L45-I63 VanDerWaalsContact CD1-CD1 3.48Å; L45-I63 HydrophobicContact CD1-CG1 3.78Å; L45-I63 HydrophobicContact CD2-CD1 4.32Å; L45-I63 HydrophobicContact CG-CD1 4.05Å; L45-I63 HydrophobicContact CG-CG1 4.14Å; I63-H65 VanDerWaalsContact CG2-NE2 3.26Å; I63-H65 WeakPolarHBondContact CG2-NE2 3.28Å; I63-V84 HydrophobicContact CG2-CG1 3.29Å; I63-F85 CarbonylContact C-O 3.59Å; I63-F85 WeakPolarHBondContact CA-O 3.39Å |
| 64 | Y | 93.8 | Very high | 88.9 | Confident | 46 Ų | 46 | 42.7 Ų | 42.7 | 18% | 0.18 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 116.3 | 171.9 | -57.5 | -31.7 | 0 | 0 | 0 | 110.4 | I42 K62 V84 F85 E87 | I42-Y64 HydrophobicContact CB-CD1 4.4Å; I42-Y64 HydrophobicContact CB-CE1 4.42Å; I42-Y64 HydrophobicContact CD1-CD1 4.26Å; I42-Y64 HydrophobicContact CD1-CE1 3.74Å; I42-Y64 HydrophobicContact CG1-CD1 3.8Å; I42-Y64 HydrophobicContact CG1-CE1 3.78Å; I42-Y64 HydrophobicContact CG2-CD1 4.28Å; I42-Y64 HydrophobicContact CG2-CE1 4Å; K62-Y64 HydrophobicContact CB-CE1 4.32Å; Y64-V84 WeakPolarHBondContact O-CA 3.22Å; Y64-F85 PolarHBondContact N-O 3.16Å; Y64-F85 PolarHBondContact O-N 3.49Å; Y64-E87 HydrophobicContact CD2-CB 4.48Å; Y64-E87 HydrophobicContact CE2-CB 3.81Å; Y64-E87 HydrophobicContact CE2-CG 4.42Å; Y64-E87 WeakPolarHBondContact CE2-OE2 3.38Å; Y64-E87 VanDerWaalsContact CZ-OE2 3.28Å; Y64-E87 PolarHBondContact OH-OE1 3.01Å; Y64-E87 PolarHBondContact OH-OE2 3.2Å |
| 65 | H | 91.6 | Very high | 88.5 | Confident | 35 Ų | 35 | 44.4 Ų | 44.4 | 16% | 0.162 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 97 | 177.9 | -61.4 | -88.4 | 0 | 0 | 0 | 108.5 | E40 G41 E43 I63 R260 | E40-H65 WeakPolarHBondContact CA-O 3.44Å; E40-H65 WeakPolarHBondContact CB-O 3.38Å; G41-H65 PolarHBondContact N-O 2.84Å; G41-H65 PolarHBondContact O-N 3.35Å; E43-H65 IonicContact OE2-CE1 3.79Å; E43-H65 IonicContact OE2-NE2 3.6Å; E43-H65 PolarHBondContact OE2-NE2 3.02Å; I63-H65 VanDerWaalsContact CG2-NE2 3.26Å; I63-H65 WeakPolarHBondContact CG2-NE2 3.28Å; H65-R260 PolarHBondContact CE1-NH1 3.12Å; H65-R260 VanDerWaalsContact CE1-NH1 3.34Å; H65-R260 PolarHBondContact NE2-NH1 2.75Å |
| 66 | L | 84.6 | Confident | 87.7 | Confident | 51 Ų | 51 | 48.6 Ų | 48.6 | 27% | 0.267 | 24% | 0.242 | S | C | . | . | trans | -111.5 | 26.1 | -165.6 | -58.1 | -178.5 | 0 | 0 | 0 | 114.7 | S68 K69 V70 L83 F85 | L66-S68 PolarHBondContact O-N 3.14Å; L66-K69 PolarHBondContact O-N 3.08Å; L66-V70 HydrophobicContact CB-CG1 3.9Å; L66-V70 HydrophobicContact CD1-CG1 4.43Å; L66-V70 PolarHBondContact O-N 3.29Å; L66-L83 PolarHBondContact N-O 3.25Å; L66-L83 VanDerWaalsContact N-O 3.14Å; L66-F85 HydrophobicContact CD1-CD2 3.76Å; L66-F85 HydrophobicContact CD1-CE2 3.98Å; L66-F85 HydrophobicContact CG-CD2 4.3Å | ||
| 67 | K | 82.1 | Confident | 86.7 | Confident | 142 Ų | 142 | 44.7 Ų | 44.7 | 62% | 0.617 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -44.4 | -67.8 | -169.3 | -174.8 | 178.5 | -176.6 | 174 | 0 | 114.5 | E40 R75 | E40-K67 HydrophobicContact CG-CB 4.07Å; E40-K67 PolarHBondContact OE2-N 3.36Å; E40-K67 VanDerWaalsContact OE2-N 3.1Å; K67-R75 VanDerWaalsContact O-CD 3.3Å; K67-R75 WeakPolarHBondContact O-CD 3.22Å |
| 68 | S | 80.8 | Confident | 85.8 | Confident | 42 Ų | 42 | 44.8 Ų | 44.8 | 29% | 0.294 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -14.2 | -178.8 | 67.8 | 0 | 0 | 0 | 0 | 113.1 | E40 L66 V70 | E40-S68 VanDerWaalsContact CD-OG 3.3Å; E40-S68 VanDerWaalsContact OE1-CB 3.22Å; E40-S68 WeakPolarHBondContact OE1-CB 3.33Å; E40-S68 PolarHBondContact OE1-N 2.85Å; E40-S68 PolarHBondContact OE1-OG 3.32Å; E40-S68 PolarHBondContact OE2-N 3.1Å; E40-S68 PolarHBondContact OE2-OG 3.02Å; L66-S68 PolarHBondContact O-N 3.14Å; S68-V70 PolarHBondContact O-N 3.47Å |
| 69 | K | 82.4 | Confident | 85 | Confident | 15 Ų | 15 | 46.3 Ų | 46.3 | 7% | 0.065 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -14.3 | -177.7 | -71.2 | -175.5 | 170.2 | -156.5 | 0 | 115.7 | E35 E40 L66 R266 A270 | E35-K69 PolarHBondContact O-NZ 3.01Å; E35-K69 IonicContact OE2-NZ 2.82Å; E35-K69 PolarHBondContact OE2-NZ 3.49Å; E40-K69 WeakPolarHBondContact OE2-CG 3.28Å; E40-K69 PolarHBondContact OE2-N 3.11Å; L66-K69 PolarHBondContact O-N 3.08Å; K69-R266 WeakPolarHBondContact CE-O 3.15Å; K69-R266 PolarHBondContact NZ-O 2.68Å; K69-A270 PolarHBondContact O-N 3.48Å |
| 70 | V | 81 | Confident | 83.9 | Confident | 16 Ų | 16 | 54 Ų | 54 | 10% | 0.097 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -92 | 155.6 | 177.2 | -65.3 | 0 | 0 | 0 | 0 | 112.7 | L66 S68 V74 R75 L83 | L66-V70 HydrophobicContact CB-CG1 3.9Å; L66-V70 HydrophobicContact CD1-CG1 4.43Å; L66-V70 PolarHBondContact O-N 3.29Å; S68-V70 PolarHBondContact O-N 3.47Å; V70-V74 HydrophobicContact CB-CB 4.3Å; V70-V74 HydrophobicContact CB-CG1 4.28Å; V70-V74 HydrophobicContact CG2-CB 4.34Å; V70-V74 HydrophobicContact CG2-CG1 4.22Å; V70-R75 HydrophobicContact CG2-CG 3.55Å; V70-R75 PolarHBondContact O-NE 3.34Å; V70-L83 HydrophobicContact CG2-CD1 3.57Å; V70-L83 HydrophobicContact CG2-CD2 4.02Å; V70-L83 HydrophobicContact CG2-CG 4.37Å |
| 71 | P | 79.8 | Confident | 82.7 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 30% | 0.298 | C | S | . | . | trans | -55.7 | 152.1 | 178.8 | -23.8 | 31.1 | 0 | 0 | 0 | 113.6 | F73 V74 R75 F214 A270 | P71-F73 VanDerWaalsContact C-N 3.26Å; P71-F73 HydrophobicContact CB-CD1 3.5Å; P71-F73 VanDerWaalsContact CB-CD1 3.5Å; P71-F73 HydrophobicContact CB-CE1 3.35Å; P71-F73 HydrophobicContact CB-CG 4.48Å; P71-F73 HydrophobicContact CB-CZ 4.23Å; P71-F73 HydrophobicContact CG-CD1 4.38Å; P71-F73 HydrophobicContact CG-CE1 3.73Å; P71-F73 HydrophobicContact CG-CZ 4.3Å; P71-F73 PolarHBondContact O-N 2.87Å; P71-V74 HydrophobicContact CB-CG2 4.31Å; P71-V74 HydrophobicContact CG-CG2 4.29Å; P71-V74 WeakPolarHBondContact O-CB 3.17Å; P71-V74 PolarHBondContact O-N 2.7Å; P71-R75 PolarHBondContact O-N 3.46Å; P71-R75 VanDerWaalsContact O-N 3.14Å; P71-F214 VanDerWaalsContact CD-CZ 3.42Å; P71-F214 HydrophobicContact CG-CD2 4.18Å; P71-F214 HydrophobicContact CG-CE1 3.91Å; P71-F214 HydrophobicContact CG-CE2 3.35Å; P71-F214 HydrophobicContact CG-CZ 3.2Å; P71-A270 WeakPolarHBondContact CA-O 3.46Å; P71-A270 HydrophobicContact CG-CB 4.19Å; P71-A270 WeakPolarHBondContact CG-O 3.42Å | ||
| 72 | A | 81.1 | Confident | 81.9 | Confident | 57 Ų | 57 | 55.6 Ų | 55.6 | 47% | 0.471 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -55.6 | -38.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | V74 R75 M76 | A72-V74 VanDerWaalsContact C-N 3.28Å; A72-V74 PolarHBondContact O-N 3.2Å; A72-R75 PolarHBondContact O-N 2.91Å; A72-M76 WeakPolarHBondContact O-CB 3.49Å; A72-M76 PolarHBondContact O-N 3.35Å |
| 73 | F | 78.4 | Confident | 81.3 | Confident | 45 Ų | 45 | 55.7 Ų | 55.7 | 20% | 0.197 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66.3 | -29.5 | 179.1 | 77.2 | -93.8 | 0 | 0 | 0 | 112.9 | P71 I77 V211 F214 | P71-F73 VanDerWaalsContact C-N 3.26Å; P71-F73 HydrophobicContact CB-CD1 3.5Å; P71-F73 VanDerWaalsContact CB-CD1 3.5Å; P71-F73 HydrophobicContact CB-CE1 3.35Å; P71-F73 HydrophobicContact CB-CG 4.48Å; P71-F73 HydrophobicContact CB-CZ 4.23Å; P71-F73 HydrophobicContact CG-CD1 4.38Å; P71-F73 HydrophobicContact CG-CE1 3.73Å; P71-F73 HydrophobicContact CG-CZ 4.3Å; P71-F73 PolarHBondContact O-N 2.87Å; F73-I77 WeakPolarHBondContact O-CG1 3.42Å; F73-V211 HydrophobicContact CE2-CG2 4.11Å; F73-F214 HydrophobicContact CZ-CG 4.25Å |
| 74 | V | 78.8 | Confident | 81.1 | Confident | 23 Ų | 23 | 56.9 Ų | 56.9 | 14% | 0.139 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -74 | -42.1 | 174.8 | -179.4 | 0 | 0 | 0 | 0 | 109.8 | V70 P71 A72 M76 I77 A78 L83 | V70-V74 HydrophobicContact CB-CB 4.3Å; V70-V74 HydrophobicContact CB-CG1 4.28Å; V70-V74 HydrophobicContact CG2-CB 4.34Å; V70-V74 HydrophobicContact CG2-CG1 4.22Å; P71-V74 HydrophobicContact CB-CG2 4.31Å; P71-V74 HydrophobicContact CG-CG2 4.29Å; P71-V74 WeakPolarHBondContact O-CB 3.17Å; P71-V74 PolarHBondContact O-N 2.7Å; A72-V74 VanDerWaalsContact C-N 3.28Å; A72-V74 PolarHBondContact O-N 3.2Å; V74-M76 VanDerWaalsContact C-N 3.32Å; V74-M76 PolarHBondContact O-N 3.09Å; V74-I77 VanDerWaalsContact O-CG1 3.25Å; V74-I77 WeakPolarHBondContact O-CG1 3.49Å; V74-I77 PolarHBondContact O-N 3.5Å; V74-A78 WeakPolarHBondContact O-CB 3.32Å; V74-A78 PolarHBondContact O-N 3.19Å; V74-A78 VanDerWaalsContact O-N 3.08Å; V74-L83 HydrophobicContact CG1-CD2 3.9Å |
| 75 | R | 80.3 | Confident | 81.1 | Confident | 105 Ų | 105 | 56.1 Ų | 56.1 | 40% | 0.396 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.3 | -36.7 | 177 | -63.7 | -173.3 | -77.2 | 171.2 | -4 | 113 | K67 V70 P71 A72 I77 L83 | K67-R75 VanDerWaalsContact O-CD 3.3Å; K67-R75 WeakPolarHBondContact O-CD 3.22Å; V70-R75 HydrophobicContact CG2-CG 3.55Å; V70-R75 PolarHBondContact O-NE 3.34Å; P71-R75 PolarHBondContact O-N 3.46Å; P71-R75 VanDerWaalsContact O-N 3.14Å; A72-R75 PolarHBondContact O-N 2.91Å; R75-I77 VanDerWaalsContact C-N 3.27Å; R75-I77 PolarHBondContact O-N 3.45Å; R75-L83 HydrophobicContact CG-CD1 4.04Å |
| 76 | M | 76.3 | Confident | 81.3 | Confident | 159 Ų | 159 | 55.6 Ų | 55.6 | 78% | 0.783 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -67.3 | -27.9 | -177.8 | -173 | 176.4 | 67.5 | 0 | 0 | 113.3 | A72 V74 | A72-M76 WeakPolarHBondContact O-CB 3.49Å; A72-M76 PolarHBondContact O-N 3.35Å; V74-M76 VanDerWaalsContact C-N 3.32Å; V74-M76 PolarHBondContact O-N 3.09Å |
| 77 | I | 73.9 | Confident | 82 | Confident | 48 Ų | 48 | 54.2 Ų | 54.2 | 25% | 0.246 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -101.8 | -17.8 | -177.3 | 65.1 | 178.1 | 0 | 0 | 0 | 113 | F73 V74 R75 W204 L207 | F73-I77 WeakPolarHBondContact O-CG1 3.42Å; V74-I77 VanDerWaalsContact O-CG1 3.25Å; V74-I77 WeakPolarHBondContact O-CG1 3.49Å; V74-I77 PolarHBondContact O-N 3.5Å; R75-I77 VanDerWaalsContact C-N 3.27Å; R75-I77 PolarHBondContact O-N 3.45Å; I77-W204 HydrophobicContact CB-CH2 4.33Å; I77-W204 HydrophobicContact CB-CZ2 4.29Å; I77-W204 WeakPolarHBondContact O-CH2 3.43Å; I77-L207 HydrophobicContact CD1-CD1 3.38Å; I77-L207 HydrophobicContact CG2-CD1 4.26Å |
| 78 | A | 76.3 | Confident | 82.7 | Confident | 22 Ų | 22 | 51.2 Ų | 51.2 | 18% | 0.182 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -84 | 123.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | V74 S82 L83 | V74-A78 WeakPolarHBondContact O-CB 3.32Å; V74-A78 PolarHBondContact O-N 3.19Å; V74-A78 VanDerWaalsContact O-N 3.08Å; A78-S82 WeakPolarHBondContact CB-OG 3.38Å; A78-L83 HydrophobicContact CB-CD1 4.37Å; A78-L83 HydrophobicContact CB-CD2 3.68Å; A78-L83 HydrophobicContact CB-CG 3.9Å |
| 79 | P | 79 | Confident | 83.5 | Confident | 54 Ų | 54 | 49.5 Ų | 49.5 | 35% | 0.351 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -55.5 | 155.7 | 170.4 | -25.6 | 34.7 | 0 | 0 | 0 | 112.6 | G81 S82 Y104 | P79-G81 PolarHBondContact O-N 3.07Å; P79-S82 WeakPolarHBondContact CD-OG 3.13Å; P79-S82 WeakPolarHBondContact O-CB 3.47Å; P79-S82 PolarHBondContact O-N 3.38Å; P79-S82 PolarHBondContact O-OG 3.06Å; P79-Y104 HydrophobicContact CG-CD2 4.18Å; P79-Y104 HydrophobicContact CG-CE1 4.04Å; P79-Y104 HydrophobicContact CG-CE2 3.64Å |
| 80 | E | 74.3 | Confident | 84.3 | Confident | 191 Ų | 191 | 52.1 Ų | 52.1 | 89% | 0.893 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | 130.2 | 177.4 | -170 | 170.2 | -165.5 | 0 | 0 | 110.8 | S82 | E80-S82 VanDerWaalsContact C-N 3.29Å; E80-S82 PolarHBondContact O-N 3.45Å |
| 81 | G | 72.9 | Confident | 85.1 | Confident | 61 Ų | 61 | 52.5 Ų | 52.5 | 63% | 0.629 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.1 | -4.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | P79 L83 V84 | P79-G81 PolarHBondContact O-N 3.07Å; G81-L83 VanDerWaalsContact C-N 3.29Å; G81-L83 PolarHBondContact O-N 3.16Å; G81-V84 WeakPolarHBondContact O-CG2 3.42Å |
| 82 | S | 80.7 | Confident | 85.9 | Confident | 16 Ų | 16 | 53.3 Ų | 53.3 | 11% | 0.112 | 29% | 0.288 | C | S | . | . | trans | -82.2 | -1.8 | -178.7 | 85.3 | 0 | 0 | 0 | 0 | 114.4 | A78 P79 E80 V84 N102 | A78-S82 WeakPolarHBondContact CB-OG 3.38Å; P79-S82 WeakPolarHBondContact CD-OG 3.13Å; P79-S82 WeakPolarHBondContact O-CB 3.47Å; P79-S82 PolarHBondContact O-N 3.38Å; P79-S82 PolarHBondContact O-OG 3.06Å; E80-S82 VanDerWaalsContact C-N 3.29Å; E80-S82 PolarHBondContact O-N 3.45Å; S82-V84 PolarHBondContact O-N 3.3Å; S82-N102 PolarHBondContact O-ND2 3.27Å | ||
| 83 | L | 84.6 | Confident | 86.7 | Confident | 23 Ų | 23 | 52.4 Ų | 52.4 | 12% | 0.12 | 27% | 0.273 | C | S | . | . | trans | -91 | 38.8 | 177.8 | -63.5 | 172.8 | 0 | 0 | 0 | 112.2 | L66 V70 V74 R75 A78 G81 | L66-L83 PolarHBondContact N-O 3.25Å; L66-L83 VanDerWaalsContact N-O 3.14Å; V70-L83 HydrophobicContact CG2-CD1 3.57Å; V70-L83 HydrophobicContact CG2-CD2 4.02Å; V70-L83 HydrophobicContact CG2-CG 4.37Å; V74-L83 HydrophobicContact CG1-CD2 3.9Å; R75-L83 HydrophobicContact CG-CD1 4.04Å; A78-L83 HydrophobicContact CB-CD1 4.37Å; A78-L83 HydrophobicContact CB-CD2 3.68Å; A78-L83 HydrophobicContact CB-CG 3.9Å; G81-L83 VanDerWaalsContact C-N 3.29Å; G81-L83 PolarHBondContact O-N 3.16Å | ||
| 84 | V | 90.5 | Very high | 87.6 | Confident | 43 Ų | 43 | 52.7 Ų | 52.7 | 26% | 0.261 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 122.9 | 177.3 | -179.8 | 0 | 0 | 0 | 0 | 107 | I63 Y64 G81 S82 N102 | I63-V84 HydrophobicContact CG2-CG1 3.29Å; Y64-V84 WeakPolarHBondContact O-CA 3.22Å; G81-V84 WeakPolarHBondContact O-CG2 3.42Å; S82-V84 PolarHBondContact O-N 3.3Å; V84-N102 PolarHBondContact O-ND2 3.31Å |
| 85 | F | 93.8 | Very high | 88.5 | Confident | 31 Ų | 31 | 52.7 Ų | 52.7 | 14% | 0.136 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 135.7 | -176.1 | -61.5 | -93.5 | 0 | 0 | 0 | 110.3 | I63 Y64 L66 V100 T101 N102 F109 | I63-F85 CarbonylContact C-O 3.59Å; I63-F85 WeakPolarHBondContact CA-O 3.39Å; Y64-F85 PolarHBondContact N-O 3.16Å; Y64-F85 PolarHBondContact O-N 3.49Å; L66-F85 HydrophobicContact CD1-CD2 3.76Å; L66-F85 HydrophobicContact CD1-CE2 3.98Å; L66-F85 HydrophobicContact CG-CD2 4.3Å; F85-V100 HydrophobicContact CB-CG1 3.83Å; F85-V100 HydrophobicContact CD1-CG1 4.36Å; F85-V100 HydrophobicContact CG-CG1 4.49Å; F85-T101 CarbonylContact C-O 3.55Å; F85-T101 WeakPolarHBondContact CA-O 3.32Å; F85-N102 HydrophobicContact CD1-CB 3.92Å; F85-N102 HydrophobicContact CE1-CB 3.95Å; F85-F109 HydrophobicContact CD1-CD1 4.37Å; F85-F109 AromaticContact CD1-CE1 3.51Å; F85-F109 HydrophobicContact CD1-CE1 3.51Å; F85-F109 AromaticContact CD1-CZ 3.8Å; F85-F109 HydrophobicContact CD1-CZ 3.8Å; F85-F109 HydrophobicContact CE1-CD1 4.32Å; F85-F109 AromaticContact CE1-CE1 3.63Å; F85-F109 HydrophobicContact CE1-CE1 3.63Å; F85-F109 HydrophobicContact CE1-CE2 4.35Å; F85-F109 AromaticContact CE1-CZ 3.61Å; F85-F109 HydrophobicContact CE1-CZ 3.61Å |
| 86 | H | 96.6 | Very high | 89.3 | Confident | 23 Ų | 23 | 48.2 Ų | 48.2 | 11% | 0.106 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 112.4 | 179.9 | -72.9 | -127.3 | 0 | 0 | 0 | 108.5 | H61 V100 T101 E103 | H61-H86 AromaticContact CE1-ND1 3.72Å; H61-H86 AromaticContact NE2-CG 3.85Å; H61-H86 AromaticContact NE2-ND1 3.14Å; H61-H86 PolarHBondContact NE2-ND1 3.26Å; H61-H86 VanDerWaalsContact NE2-ND1 3.14Å; H86-V100 CarbonylContact O-C 3.56Å; H86-V100 VanDerWaalsContact O-CA 3.28Å; H86-V100 WeakPolarHBondContact O-CA 3.22Å; H86-T101 PolarHBondContact N-O 3.18Å; H86-T101 PolarHBondContact O-N 2.95Å; H86-T101 PolarHBondContact O-OG1 3.19Å; H86-E103 IonicContact CE1-OE1 3.94Å; H86-E103 PolarHBondContact CE1-OE1 3.35Å; H86-E103 IonicContact NE2-OE1 2.67Å |
| 87 | E | 97.8 | Very high | 90.4 | Very high | 23 Ų | 23 | 45.1 Ų | 45.1 | 11% | 0.107 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 126.3 | 168.8 | -179.7 | -177.1 | 91.9 | 0 | 0 | 109.4 | H61 K62 Y64 T98 I99 V100 | H61-E87 CarbonylContact C-O 3.17Å; H61-E87 WeakPolarHBondContact CA-O 3.45Å; H61-E87 PolarHBondContact CD2-O 3.06Å; K62-E87 HydrophobicContact CB-CB 4.34Å; K62-E87 PolarHBondContact N-O 3.23Å; K62-E87 IonicContact NZ-OE1 3.33Å; K62-E87 PolarHBondContact O-N 3.25Å; Y64-E87 HydrophobicContact CD2-CB 4.48Å; Y64-E87 HydrophobicContact CE2-CB 3.81Å; Y64-E87 HydrophobicContact CE2-CG 4.42Å; Y64-E87 WeakPolarHBondContact CE2-OE2 3.38Å; Y64-E87 VanDerWaalsContact CZ-OE2 3.28Å; Y64-E87 PolarHBondContact OH-OE1 3.01Å; Y64-E87 PolarHBondContact OH-OE2 3.2Å; E87-T98 HydrophobicContact CG-CG2 3.45Å; E87-T98 VanDerWaalsContact CG-CG2 3.45Å; E87-I99 WeakPolarHBondContact CA-O 3.23Å; E87-V100 HydrophobicContact CB-CG2 4.27Å; E87-V100 HydrophobicContact CG-CG2 4.28Å |
| 88 | K | 98.2 | Very high | 91.5 | Very high | 78 Ų | 78 | 43.7 Ų | 43.7 | 34% | 0.339 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 124.6 | 167.4 | -67.2 | 177.8 | 178.7 | 173.5 | 0 | 108.7 | Y59 T60 H61 W90 T98 I99 | Y59-K88 HydrophobicContact CE2-CB 4.14Å; Y59-K88 HydrophobicContact CE2-CG 4.48Å; Y59-K88 WeakPolarHBondContact OH-CD 3.19Å; Y59-K88 WeakPolarHBondContact OH-CG 3.47Å; T60-K88 WeakPolarHBondContact O-CA 3.49Å; H61-K88 HydrophobicContact CB-CG 4.46Å; K88-W90 HydrophobicContact CB-CH2 3.72Å; K88-W90 HydrophobicContact CB-CZ3 3.79Å; K88-W90 HydrophobicContact CD-CH2 4.38Å; K88-W90 WeakPolarHBondContact O-CZ3 3.4Å; K88-T98 CarbonylContact O-C 3.57Å; K88-T98 WeakPolarHBondContact O-CA 3.19Å; K88-I99 PolarHBondContact N-O 3.26Å; K88-I99 PolarHBondContact O-N 2.68Å |
| 89 | A | 97.9 | Very high | 92.6 | Very high | 6 Ų | 6 | 45 Ų | 45 | 5% | 0.05 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 138.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y59 T60 R97 T98 | Y59-A89 WeakPolarHBondContact CA-O 3.46Å; Y59-A89 WeakPolarHBondContact CD2-O 3.3Å; T60-A89 PolarHBondContact N-O 3.39Å; T60-A89 PolarHBondContact O-N 3.41Å; A89-R97 CarbonylContact C-O 3.58Å; A89-R97 VanDerWaalsContact CA-O 3.3Å; A89-R97 WeakPolarHBondContact CA-O 3.46Å; A89-T98 HydrophobicContact CB-CG2 4.13Å; A89-T98 WeakPolarHBondContact CB-OG1 3.32Å |
| 90 | W | 98.1 | Very high | 93.4 | Very high | 70 Ų | 70 | 43 Ų | 43 | 27% | 0.265 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 98.8 | 174 | -67.8 | -91.6 | 0 | 0 | 0 | 107.5 | Y50 Y59 K88 C96 R97 I99 | Y50-W90 HydrophobicContact CE1-CB 4.14Å; Y50-W90 AromaticContact CE2-CD1 3.84Å; Y50-W90 AromaticContact CZ-CD1 3.78Å; Y59-W90 AromaticContact CD2-CD1 3.88Å; Y59-W90 HydrophobicContact CD2-CD2 4.2Å; Y59-W90 AromaticContact CD2-CE2 3.76Å; Y59-W90 HydrophobicContact CD2-CG 4.29Å; Y59-W90 HydrophobicContact CD2-CZ2 4.26Å; Y59-W90 AromaticContact CD2-NE1 3.52Å; Y59-W90 HydrophobicContact CE2-CD2 4.35Å; Y59-W90 AromaticContact CE2-CE2 3.72Å; Y59-W90 HydrophobicContact CE2-CH2 4.34Å; Y59-W90 AromaticContact CE2-CZ2 3.73Å; Y59-W90 HydrophobicContact CE2-CZ2 3.73Å; Y59-W90 AromaticContact CE2-NE1 3.89Å; K88-W90 HydrophobicContact CB-CH2 3.72Å; K88-W90 HydrophobicContact CB-CZ3 3.79Å; K88-W90 HydrophobicContact CD-CH2 4.38Å; K88-W90 WeakPolarHBondContact O-CZ3 3.4Å; W90-C96 WeakPolarHBondContact O-CA 3.41Å; W90-R97 PolarHBondContact N-O 3.15Å; W90-R97 PolarHBondContact O-N 3.39Å; W90-I99 HydrophobicContact CH2-CD1 4.42Å; W90-I99 HydrophobicContact CZ3-CB 4.42Å; W90-I99 HydrophobicContact CZ3-CD1 3.85Å; W90-I99 HydrophobicContact CZ3-CG1 4.06Å |
| 91 | N | 97.3 | Very high | 94.5 | Very high | 25 Ų | 25 | 36.2 Ų | 36.2 | 13% | 0.134 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 91.4 | -177.1 | -173.8 | -2.5 | 0 | 0 | 0 | 110 | G57 Q58 Y93 | G57-N91 CarbonylContact C-O 3.57Å; G57-N91 WeakPolarHBondContact CA-O 3Å; Q58-N91 HydrophobicContact CB-CB 4.47Å; Q58-N91 PolarHBondContact N-O 3.29Å; Q58-N91 PolarHBondContact O-N 2.86Å; N91-Y93 PolarHBondContact OD1-N 3.07Å |
| 92 | A | 97.2 | Very high | 95.5 | Very high | 17 Ų | 17 | 33.7 Ų | 33.7 | 14% | 0.14 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 58.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | E55 K56 Y95 | E55-A92 HydrophobicContact CG-CB 3.52Å; K56-A92 WeakPolarHBondContact O-CB 3.34Å; A92-Y95 CarbonylContact C-O 3.57Å; A92-Y95 WeakPolarHBondContact CA-O 3.49Å; A92-Y95 PolarHBondContact N-O 3.35Å; A92-Y95 PolarHBondContact O-N 2.94Å |
| 93 | Y | 97.3 | Very high | 96 | Very high | 37 Ų | 37 | 39.6 Ų | 39.6 | 15% | 0.145 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -45.3 | 128.3 | -172.4 | -162.7 | -90.6 | 0 | 0 | 0 | 111.6 | V17 Y20 Q21 N91 Y95 H117 | V17-Y93 HydrophobicContact CG1-CE1 3.57Å; V17-Y93 WeakPolarHBondContact CG1-OH 3.25Å; V17-Y93 WeakPolarHBondContact O-CE1 3.42Å; V17-Y93 VanDerWaalsContact O-CZ 3.3Å; V17-Y93 PolarHBondContact O-OH 3.41Å; Y20-Y93 HydrophobicContact CD1-CE2 4Å; Q21-Y93 HydrophobicContact CB-CD1 3.92Å; Q21-Y93 HydrophobicContact CB-CD2 4.35Å; Q21-Y93 HydrophobicContact CB-CE1 3.78Å; Q21-Y93 HydrophobicContact CB-CE2 4.23Å; Q21-Y93 HydrophobicContact CB-CG 4.22Å; Q21-Y93 HydrophobicContact CG-CD1 3.85Å; Q21-Y93 HydrophobicContact CG-CD2 4.15Å; Q21-Y93 HydrophobicContact CG-CE1 4.25Å; Q21-Y93 HydrophobicContact CG-CG 3.81Å; N91-Y93 PolarHBondContact OD1-N 3.07Å; Y93-Y95 PolarHBondContact N-O 3.31Å; Y93-H117 AromaticContact CD2-ND1 3.83Å; Y93-H117 HydrophobicContact CE2-CB 4.06Å; Y93-H117 AromaticContact CE2-CE1 3.68Å; Y93-H117 AromaticContact CE2-CG 3.53Å; Y93-H117 AromaticContact CE2-ND1 3.32Å; Y93-H117 VanDerWaalsContact CE2-ND1 3.32Å; Y93-H117 WeakPolarHBondContact CE2-ND1 3.43Å; Y93-H117 AromaticContact CZ-CG 3.81Å; Y93-H117 AromaticContact CZ-ND1 3.98Å; Y93-H117 VanDerWaalsContact OH-CB 3.3Å; Y93-H117 WeakPolarHBondContact OH-CB 3.48Å |
| 94 | P | 97.8 | Very high | 96.2 | Very high | 52 Ų | 52 | 44.4 Ų | 44.4 | 34% | 0.338 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -90.1 | 6.9 | 20.2 | 35.6 | -37 | 0 | 0 | 0 | 116.2 | V17 W116 H117 | V17-P94 HydrophobicContact CG1-CB 4.27Å; P94-W116 HydrophobicContact CG-CZ3 4.18Å; P94-H117 HydrophobicContact CB-CB 4.13Å; P94-H117 PolarHBondContact O-N 3.12Å; P94-H117 PolarHBondContact O-ND1 3.14Å |
| 95 | Y | 98.2 | Very high | 96.2 | Very high | 23 Ų | 23 | 43.4 Ų | 43.4 | 9% | 0.09 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 142.1 | 170.5 | 177.2 | -104.1 | 0 | 0 | 0 | 110.9 | A92 Y93 R97 E114 T115 W116 | A92-Y95 CarbonylContact C-O 3.57Å; A92-Y95 WeakPolarHBondContact CA-O 3.49Å; A92-Y95 PolarHBondContact N-O 3.35Å; A92-Y95 PolarHBondContact O-N 2.94Å; Y93-Y95 PolarHBondContact N-O 3.31Å; Y95-R97 HydrophobicContact CE1-CB 3.98Å; Y95-R97 PolarHBondContact OH-NE 3.03Å; Y95-R97 VanDerWaalsContact OH-NE 3.08Å; Y95-R97 PolarHBondContact OH-NH2 3.31Å; Y95-E114 HydrophobicContact CE2-CB 4.26Å; Y95-E114 PolarHBondContact OH-OE1 3.5Å; Y95-T115 WeakPolarHBondContact CA-O 3.48Å; Y95-T115 WeakPolarHBondContact CD2-O 3.39Å; Y95-W116 AromaticContact CD2-CD2 3.96Å; Y95-W116 HydrophobicContact CD2-CD2 3.96Å; Y95-W116 AromaticContact CD2-CE2 3.63Å; Y95-W116 HydrophobicContact CD2-CG 4.2Å; Y95-W116 HydrophobicContact CD2-CZ2 4.05Å; Y95-W116 AromaticContact CD2-NE1 3.65Å; Y95-W116 HydrophobicContact CG-CZ2 4.29Å |
| 96 | C | 97.7 | Very high | 96.1 | Very high | 10 Ų | 10 | 49.5 Ų | 49.5 | 7% | 0.068 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 136 | 173.3 | -180 | 0 | 0 | 0 | 0 | 109.9 | W90 E114 T115 | W90-C96 WeakPolarHBondContact O-CA 3.41Å; C96-E114 CarbonylContact O-C 3.58Å; C96-E114 WeakPolarHBondContact O-CA 3.49Å; C96-T115 PolarHBondContact N-O 3.14Å; C96-T115 PolarHBondContact O-N 3.44Å |
| 97 | R | 98.1 | Very high | 95.9 | Very high | 95 Ų | 95 | 54.8 Ų | 54.8 | 36% | 0.358 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 124 | 172.9 | -179.3 | -178.2 | -64.1 | 147.6 | 2.5 | 109.5 | A89 W90 Y95 I99 E114 | A89-R97 CarbonylContact C-O 3.58Å; A89-R97 VanDerWaalsContact CA-O 3.3Å; A89-R97 WeakPolarHBondContact CA-O 3.46Å; W90-R97 PolarHBondContact N-O 3.15Å; W90-R97 PolarHBondContact O-N 3.39Å; Y95-R97 HydrophobicContact CE1-CB 3.98Å; Y95-R97 PolarHBondContact OH-NE 3.03Å; Y95-R97 VanDerWaalsContact OH-NE 3.08Å; Y95-R97 PolarHBondContact OH-NH2 3.31Å; R97-I99 HydrophobicContact CG-CG1 4.4Å; R97-E114 HydrophobicContact CG-CG 4.27Å; R97-E114 IonicContact NE-OE1 3.5Å; R97-E114 IonicContact NH2-OE1 2.7Å |
| 98 | T | 98.1 | Very high | 95.7 | Very high | 17 Ų | 17 | 56.8 Ų | 56.8 | 10% | 0.104 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 136.7 | 175.5 | -56.7 | 0 | 0 | 0 | 0 | 109.5 | E87 K88 A89 K112 I113 | E87-T98 HydrophobicContact CG-CG2 3.45Å; E87-T98 VanDerWaalsContact CG-CG2 3.45Å; K88-T98 CarbonylContact O-C 3.57Å; K88-T98 WeakPolarHBondContact O-CA 3.19Å; A89-T98 HydrophobicContact CB-CG2 4.13Å; A89-T98 WeakPolarHBondContact CB-OG1 3.32Å; T98-K112 CarbonylContact O-C 3.53Å; T98-K112 WeakPolarHBondContact O-CA 3.45Å; T98-I113 PolarHBondContact N-O 2.8Å; T98-I113 PolarHBondContact O-N 3.19Å |
| 99 | I | 98.1 | Very high | 95.5 | Very high | 50 Ų | 50 | 53.5 Ų | 53.5 | 26% | 0.256 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 119.3 | 177.5 | -53.9 | 178.6 | 0 | 0 | 0 | 108 | E87 K88 W90 R97 T101 I111 K112 | E87-I99 WeakPolarHBondContact CA-O 3.23Å; K88-I99 PolarHBondContact N-O 3.26Å; K88-I99 PolarHBondContact O-N 2.68Å; W90-I99 HydrophobicContact CH2-CD1 4.42Å; W90-I99 HydrophobicContact CZ3-CB 4.42Å; W90-I99 HydrophobicContact CZ3-CD1 3.85Å; W90-I99 HydrophobicContact CZ3-CG1 4.06Å; R97-I99 HydrophobicContact CG-CG1 4.4Å; I99-T101 HydrophobicContact CG2-CG2 3.96Å; I99-I111 CarbonylContact C-O 3.55Å; I99-I111 WeakPolarHBondContact CA-O 3.35Å; I99-K112 HydrophobicContact CG1-CG 4.37Å |
| 100 | V | 97.3 | Very high | 95.4 | Very high | 11 Ų | 11 | 55.5 Ų | 55.5 | 7% | 0.067 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 129 | 173.1 | -173 | 0 | 0 | 0 | 0 | 108.6 | F85 H86 E87 F109 F110 I111 | F85-V100 HydrophobicContact CB-CG1 3.83Å; F85-V100 HydrophobicContact CD1-CG1 4.36Å; F85-V100 HydrophobicContact CG-CG1 4.49Å; H86-V100 CarbonylContact O-C 3.56Å; H86-V100 VanDerWaalsContact O-CA 3.28Å; H86-V100 WeakPolarHBondContact O-CA 3.22Å; E87-V100 HydrophobicContact CB-CG2 4.27Å; E87-V100 HydrophobicContact CG-CG2 4.28Å; V100-F109 HydrophobicContact CG1-CE1 4.4Å; V100-F110 VanDerWaalsContact O-CA 3.27Å; V100-F110 WeakPolarHBondContact O-CA 3.05Å; V100-I111 HydrophobicContact CB-CB 4.13Å; V100-I111 PolarHBondContact N-O 3.39Å; V100-I111 PolarHBondContact O-N 3.18Å |
| 101 | T | 96.4 | Very high | 95.4 | Very high | 49 Ų | 49 | 52.8 Ų | 52.8 | 30% | 0.301 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 164.8 | -178.3 | 51.7 | 0 | 0 | 0 | 0 | 111 | F85 H86 I99 | F85-T101 CarbonylContact C-O 3.55Å; F85-T101 WeakPolarHBondContact CA-O 3.32Å; H86-T101 PolarHBondContact N-O 3.18Å; H86-T101 PolarHBondContact O-N 2.95Å; H86-T101 PolarHBondContact O-OG1 3.19Å; I99-T101 HydrophobicContact CG2-CG2 3.96Å |
| 102 | N | 93.3 | Very high | 95.4 | Very high | 8 Ų | 8 | 54.3 Ų | 54.3 | 4% | 0.043 | 26% | 0.261 | C | S | . | . | trans | -132.8 | 124.4 | 178.5 | 177.2 | -97.9 | 0 | 0 | 0 | 109 | S82 V84 F85 Y104 M105 K106 F109 | S82-N102 PolarHBondContact O-ND2 3.27Å; V84-N102 PolarHBondContact O-ND2 3.31Å; F85-N102 HydrophobicContact CD1-CB 3.92Å; F85-N102 HydrophobicContact CE1-CB 3.95Å; N102-Y104 VanDerWaalsContact C-N 3.28Å; N102-Y104 PolarHBondContact O-N 3.49Å; N102-Y104 WeakPolarHBondContact OD1-CB 3.28Å; N102-Y104 PolarHBondContact OD1-N 3.01Å; N102-M105 HydrophobicContact CB-CB 4.34Å; N102-M105 PolarHBondContact O-N 3.35Å; N102-M105 PolarHBondContact OD1-N 2.82Å; N102-K106 PolarHBondContact O-N 3.37Å; N102-F109 HydrophobicContact CB-CB 4.48Å; N102-F109 HydrophobicContact CB-CD1 3.5Å; N102-F109 HydrophobicContact CB-CE1 4.04Å; N102-F109 HydrophobicContact CB-CG 4.22Å | ||
| 103 | E | 91.2 | Very high | 95.5 | Very high | 140 Ų | 140 | 54.4 Ų | 54.4 | 65% | 0.654 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -34.8 | -173.4 | -64.1 | -167.6 | 158.6 | 0 | 0 | 112.9 | H86 K106 | H86-E103 IonicContact CE1-OE1 3.94Å; H86-E103 PolarHBondContact CE1-OE1 3.35Å; H86-E103 IonicContact NE2-OE1 2.67Å; E103-K106 WeakPolarHBondContact O-CG 3.4Å |
| 104 | Y | 90.3 | Very high | 95.5 | Very high | 125 Ų | 125 | 53.9 Ų | 53.9 | 49% | 0.49 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -45.8 | 178.9 | 171.6 | -104 | 0 | 0 | 0 | 111.8 | P79 N102 W204 | P79-Y104 HydrophobicContact CG-CD2 4.18Å; P79-Y104 HydrophobicContact CG-CE1 4.04Å; P79-Y104 HydrophobicContact CG-CE2 3.64Å; N102-Y104 VanDerWaalsContact C-N 3.28Å; N102-Y104 PolarHBondContact O-N 3.49Å; N102-Y104 WeakPolarHBondContact OD1-CB 3.28Å; N102-Y104 PolarHBondContact OD1-N 3.01Å; Y104-W204 HydrophobicContact CE1-CH2 4.2Å; Y104-W204 HydrophobicContact CE1-CZ3 4.04Å |
| 105 | M | 90.1 | Very high | 95.6 | Very high | 22 Ų | 22 | 51.7 Ų | 51.7 | 11% | 0.108 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -14.6 | -178.7 | -68.9 | -164.5 | 65.7 | 0 | 0 | 114.3 | N102 D107 D108 F109 F202 W204 | N102-M105 HydrophobicContact CB-CB 4.34Å; N102-M105 PolarHBondContact O-N 3.35Å; N102-M105 PolarHBondContact OD1-N 2.82Å; M105-D107 PolarHBondContact O-N 3.12Å; M105-D108 HydrophobicContact CE-CB 4.21Å; M105-D108 WeakPolarHBondContact O-CB 3.39Å; M105-D108 PolarHBondContact O-N 3.37Å; M105-F109 HydrophobicContact CB-CB 3.53Å; M105-F109 HydrophobicContact CE-CB 3.89Å; M105-F109 HydrophobicContact CG-CB 4.2Å; M105-F109 HydrophobicContact SD-CB 3.72Å; M105-F109 HydrophobicContact SD-CD2 4.49Å; M105-F109 HydrophobicContact SD-CG 4.29Å; M105-F202 HydrophobicContact CE-CD2 3.51Å; M105-F202 HydrophobicContact CE-CE2 3.44Å; M105-F202 VanDerWaalsContact CE-CE2 3.44Å; M105-F202 HydrophobicContact CE-CG 4.21Å; M105-F202 HydrophobicContact CE-CZ 4.08Å; M105-F202 HydrophobicContact SD-CD2 3.7Å; M105-F202 HydrophobicContact SD-CE2 3.34Å; M105-F202 WeakPolarHBondContact SD-CE2 3.19Å; M105-F202 HydrophobicContact SD-CZ 4.28Å; M105-W204 HydrophobicContact CE-CE3 4.15Å; M105-W204 HydrophobicContact SD-CE3 4.35Å |
| 106 | K | 91.4 | Very high | 95.6 | Very high | 159 Ų | 159 | 54 Ų | 54 | 69% | 0.691 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | 50.1 | -127.1 | -179.8 | -56.2 | 178.3 | 179.8 | 177.2 | 0 | 110.9 | N102 E103 D108 F109 | N102-K106 PolarHBondContact O-N 3.37Å; E103-K106 WeakPolarHBondContact O-CG 3.4Å; K106-D108 PolarHBondContact O-N 2.86Å; K106-F109 PolarHBondContact O-N 3.43Å |
| 107 | D | 92.8 | Very high | 95.7 | Very high | 134 Ų | 134 | 53.6 Ų | 53.6 | 72% | 0.717 | 25% | 0.249 | S | C | * | . | G | 310 helix | trans | -72.1 | -10.7 | -178.6 | -59.6 | -40.8 | 0 | 0 | 0 | 113.7 | M105 F109 K201 | M105-D107 PolarHBondContact O-N 3.12Å; D107-F109 PolarHBondContact O-N 3.41Å; D107-K201 WeakPolarHBondContact O-CD 3.34Å; D107-K201 WeakPolarHBondContact O-CE 3.39Å; D107-K201 PolarHBondContact O-NZ 2.8Å |
| 108 | D | 92.7 | Very high | 95.7 | Very high | 64 Ų | 64 | 51.7 Ų | 51.7 | 34% | 0.342 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -80.6 | -6.1 | 179.2 | -69.8 | -30.5 | 0 | 0 | 0 | 112.6 | M105 K106 F202 K203 | M105-D108 HydrophobicContact CE-CB 4.21Å; M105-D108 WeakPolarHBondContact O-CB 3.39Å; M105-D108 PolarHBondContact O-N 3.37Å; K106-D108 PolarHBondContact O-N 2.86Å; D108-F202 CarbonylContact O-C 3.6Å; D108-F202 WeakPolarHBondContact O-CA 3.44Å; D108-K203 HydrophobicContact CB-CB 3.95Å; D108-K203 PolarHBondContact O-N 2.94Å; D108-K203 WeakPolarHBondContact OD1-CD 3.4Å |
| 109 | F | 93.7 | Very high | 95.6 | Very high | 9 Ų | 9 | 55.6 Ų | 55.6 | 4% | 0.039 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 129.9 | 173 | 174.7 | -97.7 | 0 | 0 | 0 | 113.1 | F85 V100 N102 M105 K106 D107 I111 K201 F202 I215 | F85-F109 HydrophobicContact CD1-CD1 4.37Å; F85-F109 AromaticContact CD1-CE1 3.51Å; F85-F109 HydrophobicContact CD1-CE1 3.51Å; F85-F109 AromaticContact CD1-CZ 3.8Å; F85-F109 HydrophobicContact CD1-CZ 3.8Å; F85-F109 HydrophobicContact CE1-CD1 4.32Å; F85-F109 AromaticContact CE1-CE1 3.63Å; F85-F109 HydrophobicContact CE1-CE1 3.63Å; F85-F109 HydrophobicContact CE1-CE2 4.35Å; F85-F109 AromaticContact CE1-CZ 3.61Å; F85-F109 HydrophobicContact CE1-CZ 3.61Å; V100-F109 HydrophobicContact CG1-CE1 4.4Å; N102-F109 HydrophobicContact CB-CB 4.48Å; N102-F109 HydrophobicContact CB-CD1 3.5Å; N102-F109 HydrophobicContact CB-CE1 4.04Å; N102-F109 HydrophobicContact CB-CG 4.22Å; M105-F109 HydrophobicContact CB-CB 3.53Å; M105-F109 HydrophobicContact CE-CB 3.89Å; M105-F109 HydrophobicContact CG-CB 4.2Å; M105-F109 HydrophobicContact SD-CB 3.72Å; M105-F109 HydrophobicContact SD-CD2 4.49Å; M105-F109 HydrophobicContact SD-CG 4.29Å; K106-F109 PolarHBondContact O-N 3.43Å; D107-F109 PolarHBondContact O-N 3.41Å; F109-I111 HydrophobicContact CE2-CD1 4.22Å; F109-I111 HydrophobicContact CE2-CG1 4.04Å; F109-I111 HydrophobicContact CZ-CD1 3.75Å; F109-I111 HydrophobicContact CZ-CG1 3.75Å; F109-K201 VanDerWaalsContact CA-O 3.28Å; F109-K201 WeakPolarHBondContact CA-O 3.29Å; F109-F202 HydrophobicContact CD2-CB 4.49Å; F109-F202 AromaticContact CD2-CD2 3.89Å; F109-F202 HydrophobicContact CD2-CD2 3.89Å; F109-I215 HydrophobicContact CE2-CD1 3.87Å |
| 110 | F | 96.3 | Very high | 95.6 | Very high | 48 Ų | 48 | 54.3 Ų | 54.3 | 21% | 0.211 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 155.1 | 155.2 | 67.4 | -100.9 | 0 | 0 | 0 | 111.5 | L4 V100 K112 T199 K201 | L4-F110 HydrophobicContact CD1-CZ 4.44Å; L4-F110 HydrophobicContact CD2-CE1 4.35Å; L4-F110 HydrophobicContact CD2-CZ 3.89Å; V100-F110 VanDerWaalsContact O-CA 3.27Å; V100-F110 WeakPolarHBondContact O-CA 3.05Å; F110-K112 HydrophobicContact CD2-CB 4.02Å; F110-K112 HydrophobicContact CE2-CB 4.14Å; F110-T199 HydrophobicContact CE2-CG2 3.82Å; F110-T199 HydrophobicContact CZ-CG2 4.24Å; F110-K201 HydrophobicContact CD1-CB 3.57Å; F110-K201 HydrophobicContact CD1-CD 3.71Å; F110-K201 HydrophobicContact CD1-CG 4.25Å; F110-K201 HydrophobicContact CD2-CB 4.36Å; F110-K201 HydrophobicContact CE1-CB 3.39Å; F110-K201 HydrophobicContact CE1-CD 3.35Å; F110-K201 HydrophobicContact CE1-CG 4.01Å; F110-K201 HydrophobicContact CE2-CB 4.19Å; F110-K201 HydrophobicContact CG-CB 4.07Å; F110-K201 HydrophobicContact CZ-CB 3.7Å; F110-K201 HydrophobicContact CZ-CD 4.28Å; F110-K201 PolarHBondContact N-O 2.99Å; F110-K201 PolarHBondContact O-N 3.32Å |
| 111 | I | 97.4 | Very high | 95.5 | Very high | 14 Ų | 14 | 56.2 Ų | 56.2 | 7% | 0.072 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 124.4 | 160.9 | -53.2 | 166 | 0 | 0 | 0 | 106.3 | I99 V100 F109 I113 V198 T199 I200 I215 | I99-I111 CarbonylContact C-O 3.55Å; I99-I111 WeakPolarHBondContact CA-O 3.35Å; V100-I111 HydrophobicContact CB-CB 4.13Å; V100-I111 PolarHBondContact N-O 3.39Å; V100-I111 PolarHBondContact O-N 3.18Å; F109-I111 HydrophobicContact CE2-CD1 4.22Å; F109-I111 HydrophobicContact CE2-CG1 4.04Å; F109-I111 HydrophobicContact CZ-CD1 3.75Å; F109-I111 HydrophobicContact CZ-CG1 3.75Å; I111-I113 HydrophobicContact CG2-CG1 4.21Å; I111-V198 HydrophobicContact CG2-CG1 4.09Å; I111-T199 WeakPolarHBondContact CA-O 3.37Å; I111-I200 HydrophobicContact CG2-CG1 4.35Å; I111-I215 HydrophobicContact CD1-CD1 4.33Å; I111-I215 HydrophobicContact CD1-CG2 3.47Å; I111-I215 VanDerWaalsContact CD1-CG2 3.47Å; I111-I215 HydrophobicContact CG1-CG2 3.92Å |
| 112 | K | 98.3 | Very high | 95.6 | Very high | 57 Ų | 57 | 54 Ų | 54 | 25% | 0.248 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 124.3 | 176.5 | 179.3 | -177.7 | 58.8 | 150.8 | 0 | 108.6 | T98 I99 F110 E114 V198 T199 | T98-K112 CarbonylContact O-C 3.53Å; T98-K112 WeakPolarHBondContact O-CA 3.45Å; I99-K112 HydrophobicContact CG1-CG 4.37Å; F110-K112 HydrophobicContact CD2-CB 4.02Å; F110-K112 HydrophobicContact CE2-CB 4.14Å; K112-E114 HydrophobicContact CD-CG 4.15Å; K112-E114 WeakPolarHBondContact CE-OE2 3.34Å; K112-E114 HydrophobicContact CG-CG 4.05Å; K112-E114 IonicContact NZ-OE2 2.71Å; K112-E114 PolarHBondContact NZ-OE2 3.3Å; K112-V198 CarbonylContact O-C 3.12Å; K112-V198 WeakPolarHBondContact O-CA 3.5Å; K112-T199 PolarHBondContact N-O 3Å; K112-T199 PolarHBondContact O-N 3.17Å |
| 113 | I | 98.6 | Very high | 95.7 | Very high | 19 Ų | 19 | 58.7 Ų | 58.7 | 10% | 0.097 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 114.3 | 177.2 | -52.9 | 169 | 0 | 0 | 0 | 107.7 | T98 I111 K196 L197 V198 E219 F223 | T98-I113 PolarHBondContact N-O 2.8Å; T98-I113 PolarHBondContact O-N 3.19Å; I111-I113 HydrophobicContact CG2-CG1 4.21Å; I113-K196 HydrophobicContact CG2-CB 4.46Å; I113-L197 WeakPolarHBondContact CA-O 3.35Å; I113-V198 HydrophobicContact CG1-CG2 4.43Å; I113-E219 WeakPolarHBondContact CD1-OE2 3.32Å; I113-F223 HydrophobicContact CD1-CE1 4.42Å; I113-F223 HydrophobicContact CD1-CZ 4.12Å; I113-F223 HydrophobicContact CG2-CZ 4.18Å |
| 114 | E | 98.6 | Very high | 95.9 | Very high | 25 Ų | 25 | 55.6 Ų | 55.6 | 12% | 0.117 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 120.9 | 175.6 | -62.3 | -176.4 | 84.9 | 0 | 0 | 108.4 | Y95 C96 R97 K112 H128 L197 | Y95-E114 HydrophobicContact CE2-CB 4.26Å; Y95-E114 PolarHBondContact OH-OE1 3.5Å; C96-E114 CarbonylContact O-C 3.58Å; C96-E114 WeakPolarHBondContact O-CA 3.49Å; R97-E114 HydrophobicContact CG-CG 4.27Å; R97-E114 IonicContact NE-OE1 3.5Å; R97-E114 IonicContact NH2-OE1 2.7Å; K112-E114 HydrophobicContact CD-CG 4.15Å; K112-E114 WeakPolarHBondContact CE-OE2 3.34Å; K112-E114 HydrophobicContact CG-CG 4.05Å; K112-E114 IonicContact NZ-OE2 2.71Å; K112-E114 PolarHBondContact NZ-OE2 3.3Å; E114-H128 PolarHBondContact O-NE2 3.21Å; E114-L197 HydrophobicContact CB-CB 4.46Å; E114-L197 PolarHBondContact N-O 2.9Å; E114-L197 PolarHBondContact O-N 3.15Å |
| 115 | T | 98.8 | Very high | 96.2 | Very high | 7 Ų | 7 | 54 Ų | 54 | 4% | 0.043 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 129.6 | -175.5 | -54.6 | 0 | 0 | 0 | 0 | 111.5 | Y95 C96 H117 A194 Y195 K196 | Y95-T115 WeakPolarHBondContact CA-O 3.48Å; Y95-T115 WeakPolarHBondContact CD2-O 3.39Å; C96-T115 PolarHBondContact N-O 3.14Å; C96-T115 PolarHBondContact O-N 3.44Å; T115-H117 WeakPolarHBondContact CG2-CE1 3.46Å; T115-H117 VanDerWaalsContact CG2-NE2 3.3Å; T115-H117 WeakPolarHBondContact CG2-NE2 3.27Å; T115-A194 HydrophobicContact CG2-CB 4.36Å; T115-Y195 VanDerWaalsContact CA-O 3.3Å; T115-Y195 WeakPolarHBondContact CA-O 3.28Å; T115-K196 HydrophobicContact CG2-CG 3.87Å |
| 116 | W | 98.8 | Very high | 96.5 | Very high | 71 Ų | 71 | 55.4 Ų | 55.4 | 27% | 0.269 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 130.9 | 161.3 | -85.7 | 107.5 | 0 | 0 | 0 | 110.1 | P94 Y95 K118 V127 H128 Y195 | P94-W116 HydrophobicContact CG-CZ3 4.18Å; Y95-W116 AromaticContact CD2-CD2 3.96Å; Y95-W116 HydrophobicContact CD2-CD2 3.96Å; Y95-W116 AromaticContact CD2-CE2 3.63Å; Y95-W116 HydrophobicContact CD2-CG 4.2Å; Y95-W116 HydrophobicContact CD2-CZ2 4.05Å; Y95-W116 AromaticContact CD2-NE1 3.65Å; Y95-W116 HydrophobicContact CG-CZ2 4.29Å; W116-K118 HydrophobicContact CB-CG 4.43Å; W116-K118 HydrophobicContact CE3-CD 4.47Å; W116-K118 VanDerWaalsContact CE3-CE 3.5Å; W116-V127 HydrophobicContact CB-CG1 4.18Å; W116-V127 HydrophobicContact CB-CG2 4.19Å; W116-V127 HydrophobicContact CG-CG1 4.46Å; W116-V127 HydrophobicContact CG-CG2 4.18Å; W116-H128 AromaticContact CD1-CD2 3.79Å; W116-H128 AromaticContact CD1-NE2 3.87Å; W116-Y195 PolarHBondContact N-O 2.98Å; W116-Y195 VanDerWaalsContact N-O 3.08Å; W116-Y195 PolarHBondContact O-N 3.27Å |
| 117 | H | 98.8 | Very high | 96.8 | Very high | 2 Ų | 2 | 49.3 Ų | 49.3 | 1% | 0.009 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 119.4 | 170.7 | -52.3 | 89.8 | 0 | 0 | 0 | 108.3 | V17 Y20 Y93 P94 T115 M192 | V17-H117 HydrophobicContact CG1-CB 4.42Å; Y20-H117 AromaticContact CD1-CD2 3.56Å; Y20-H117 AromaticContact CD1-NE2 3.89Å; Y20-H117 AromaticContact CE1-CD2 3.25Å; Y20-H117 WeakPolarHBondContact CE1-CD2 3.23Å; Y20-H117 AromaticContact CE1-NE2 3.19Å; Y20-H117 WeakPolarHBondContact CE1-NE2 3.28Å; Y20-H117 AromaticContact CZ-NE2 3.97Å; Y93-H117 AromaticContact CD2-ND1 3.83Å; Y93-H117 HydrophobicContact CE2-CB 4.06Å; Y93-H117 AromaticContact CE2-CE1 3.68Å; Y93-H117 AromaticContact CE2-CG 3.53Å; Y93-H117 AromaticContact CE2-ND1 3.32Å; Y93-H117 VanDerWaalsContact CE2-ND1 3.32Å; Y93-H117 WeakPolarHBondContact CE2-ND1 3.43Å; Y93-H117 AromaticContact CZ-CG 3.81Å; Y93-H117 AromaticContact CZ-ND1 3.98Å; Y93-H117 VanDerWaalsContact OH-CB 3.3Å; Y93-H117 WeakPolarHBondContact OH-CB 3.48Å; P94-H117 HydrophobicContact CB-CB 4.13Å; P94-H117 PolarHBondContact O-N 3.12Å; P94-H117 PolarHBondContact O-ND1 3.14Å; T115-H117 WeakPolarHBondContact CG2-CE1 3.46Å; T115-H117 VanDerWaalsContact CG2-NE2 3.3Å; T115-H117 WeakPolarHBondContact CG2-NE2 3.27Å; H117-M192 HydrophobicContact CB-CE 3.67Å |
| 118 | K | 98.6 | Very high | 97.1 | Very high | 54 Ų | 54 | 44.5 Ų | 44.5 | 24% | 0.235 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 147.1 | -175.8 | -57.4 | -69.1 | -175 | -177.4 | 0 | 111.1 | W116 D120 L124 V127 M192 C193 Y195 | W116-K118 HydrophobicContact CB-CG 4.43Å; W116-K118 HydrophobicContact CE3-CD 4.47Å; W116-K118 VanDerWaalsContact CE3-CE 3.5Å; K118-D120 PolarHBondContact O-N 2.79Å; K118-L124 HydrophobicContact CB-CD1 4.38Å; K118-L124 HydrophobicContact CG-CD1 4.05Å; K118-V127 HydrophobicContact CD-CG2 4.47Å; K118-V127 HydrophobicContact CG-CG2 4.26Å; K118-M192 CarbonylContact O-C 3.53Å; K118-M192 VanDerWaalsContact O-CA 3.29Å; K118-M192 WeakPolarHBondContact O-CA 3.4Å; K118-M192 WeakPolarHBondContact O-CB 3.3Å; K118-C193 PolarHBondContact N-O 2.85Å; K118-C193 PolarHBondContact O-N 2.8Å; K118-Y195 HydrophobicContact CB-CD2 4.37Å; K118-Y195 HydrophobicContact CB-CE2 3.91Å; K118-Y195 HydrophobicContact CG-CD2 4.07Å; K118-Y195 HydrophobicContact CG-CE2 3.95Å |
| 119 | P | 97.5 | Very high | 97.3 | Very high | 100 Ų | 100 | 44.4 Ų | 44.4 | 65% | 0.649 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -81.9 | 59.2 | 179.4 | 35.8 | -36.4 | 0 | 0 | 0 | 111 | V17 | V17-P119 HydrophobicContact CG2-CB 4.05Š|
| 120 | D | 96.6 | Very high | 97.4 | Very high | 22 Ų | 22 | 45.7 Ų | 45.7 | 12% | 0.118 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -139.5 | -173.5 | 179.3 | 70.8 | 23.4 | 0 | 0 | 0 | 111.4 | K118 G122 L124 M192 C193 Y195 | K118-D120 PolarHBondContact O-N 2.79Å; D120-G122 PolarHBondContact OD1-N 3.3Å; D120-L124 WeakPolarHBondContact OD2-CD1 3.44Å; D120-L124 WeakPolarHBondContact OD2-CG 3.26Å; D120-M192 CarbonylContact O-C 2.93Å; D120-M192 WeakPolarHBondContact O-CA 3.33Å; D120-C193 PolarHBondContact O-N 3.45Å; D120-C193 VanDerWaalsContact OD1-CB 3.23Å; D120-C193 WeakPolarHBondContact OD1-CB 3.36Å; D120-Y195 WeakPolarHBondContact OD1-CE2 3.2Å; D120-Y195 PolarHBondContact OD1-OH 3.46Å; D120-Y195 PolarHBondContact OD2-OH 2.85Å |
| 121 | L | 96.6 | Very high | 97.4 | Very high | 51 Ų | 51 | 47 Ų | 47 | 27% | 0.267 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -107.3 | 31.2 | 179.2 | -67.9 | 172.7 | 0 | 0 | 0 | 113.2 | V12 L183 A184 Q191 | V12-L121 HydrophobicContact CG1-CD2 3.64Å; L121-L183 HydrophobicContact CD2-CD2 4Å; L121-L183 HydrophobicContact CD2-CG 4.38Å; L121-A184 HydrophobicContact CD1-CB 3.47Å; L121-A184 VanDerWaalsContact CD1-CB 3.47Å; L121-Q191 HydrophobicContact CD2-CB 3.97Å; L121-Q191 HydrophobicContact CD2-CG 4.32Å |
| 122 | G | 96.6 | Very high | 97.3 | Very high | 4 Ų | 4 | 51 Ų | 51 | 4% | 0.041 | 29% | 0.287 | C | S | . | . | S | Bend | trans | 81.8 | 23.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | R10 D120 C193 Y195 | R10-G122 WeakPolarHBondContact CD-O 3.28Å; R10-G122 PolarHBondContact NH1-O 3.34Å; D120-G122 PolarHBondContact OD1-N 3.3Å; G122-C193 WeakPolarHBondContact CA-SG 3.05Å; G122-Y195 WeakPolarHBondContact CA-OH 3.34Å; G122-Y195 PolarHBondContact N-OH 2.99Å |
| 123 | T | 95.8 | Very high | 97.1 | Very high | 106 Ų | 106 | 53.9 Ų | 53.9 | 65% | 0.65 | 31% | 0.306 | S | S | * | . | trans | -91.1 | -7.7 | -176.2 | 54.3 | 0 | 0 | 0 | 0 | 114.4 | E125 Y195 | T123-E125 PolarHBondContact O-N 3.09Å; T123-Y195 PolarHBondContact N-OH 3.01Å | ||
| 124 | L | 96.8 | Very high | 96.9 | Very high | 74 Ų | 74 | 55 Ų | 55 | 39% | 0.387 | 31% | 0.313 | S | S | . | . | trans | -80.3 | 118.9 | 177.3 | -62.1 | 173.3 | 0 | 0 | 0 | 111.3 | K8 K118 D120 V127 Y195 | K8-L124 PolarHBondContact NZ-O 3.39Å; K118-L124 HydrophobicContact CB-CD1 4.38Å; K118-L124 HydrophobicContact CG-CD1 4.05Å; D120-L124 WeakPolarHBondContact OD2-CD1 3.44Å; D120-L124 WeakPolarHBondContact OD2-CG 3.26Å; L124-V127 HydrophobicContact CB-CB 4.23Å; L124-V127 HydrophobicContact CD1-CG2 4.04Å; L124-Y195 HydrophobicContact CB-CE1 4.14Å; L124-Y195 WeakPolarHBondContact CB-OH 3.44Å; L124-Y195 HydrophobicContact CD1-CE2 4.48Å; L124-Y195 PolarHBondContact N-OH 3.46Å; L124-Y195 VanDerWaalsContact O-CE1 3.23Å; L124-Y195 WeakPolarHBondContact O-CE1 3.41Å | ||
| 125 | E | 96 | Very high | 96.7 | Very high | 92 Ų | 92 | 56 Ų | 56 | 43% | 0.43 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -70.3 | -77.2 | -178.1 | -67.5 | -54.4 | 118.4 | 0 | 0 | 112.4 | K8 R10 T123 V127 W135 | K8-E125 PolarHBondContact NZ-O 2.94Å; R10-E125 IonicContact CZ-OE1 3.56Å; R10-E125 IonicContact CZ-OE2 3.38Å; R10-E125 IonicContact NH1-OE1 3.23Å; R10-E125 PolarHBondContact NH1-OE1 3.02Å; R10-E125 IonicContact NH2-OE1 3.72Å; R10-E125 PolarHBondContact NH2-OE1 2.9Å; R10-E125 IonicContact NH2-OE2 2.74Å; R10-E125 PolarHBondContact NH2-OE2 3.14Å; T123-E125 PolarHBondContact O-N 3.09Å; E125-V127 PolarHBondContact O-N 3.12Å; E125-W135 VanDerWaalsContact C-CZ2 3.46Å; E125-W135 HydrophobicContact CB-CZ2 4.05Å; E125-W135 WeakPolarHBondContact O-CH2 3.13Å; E125-W135 VanDerWaalsContact O-CZ2 3.29Å; E125-W135 WeakPolarHBondContact O-CZ2 3.32Å |
| 126 | N | 96.3 | Very high | 96.5 | Very high | 52 Ų | 52 | 63.5 Ų | 63.5 | 28% | 0.278 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -103.4 | 57.3 | -174.6 | -170.9 | 11.2 | 0 | 0 | 0 | 112.7 | H128 G129 L130 W135 | N126-H128 PolarHBondContact O-N 3.07Å; N126-H128 VanDerWaalsContact O-N 3.12Å; N126-G129 PolarHBondContact O-N 2.67Å; N126-G129 PolarHBondContact OD1-N 3.13Å; N126-L130 PolarHBondContact ND2-N 3.15Å; N126-L130 PolarHBondContact ND2-O 3.38Å; N126-L130 PolarHBondContact OD1-N 2.65Å; N126-W135 HydrophobicContact CB-CD2 3.94Å; N126-W135 HydrophobicContact CB-CE3 4.33Å; N126-W135 HydrophobicContact CB-CG 4.25Å; N126-W135 HydrophobicContact CB-CZ2 4.42Å |
| 127 | V | 97.9 | Very high | 96.3 | Very high | 30 Ų | 30 | 65 Ų | 65 | 18% | 0.182 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -20.4 | -177.1 | 74 | 0 | 0 | 0 | 0 | 113.9 | W116 K118 L124 E125 Y195 | W116-V127 HydrophobicContact CB-CG1 4.18Å; W116-V127 HydrophobicContact CB-CG2 4.19Å; W116-V127 HydrophobicContact CG-CG1 4.46Å; W116-V127 HydrophobicContact CG-CG2 4.18Å; K118-V127 HydrophobicContact CD-CG2 4.47Å; K118-V127 HydrophobicContact CG-CG2 4.26Å; L124-V127 HydrophobicContact CB-CB 4.23Å; L124-V127 HydrophobicContact CD1-CG2 4.04Å; E125-V127 PolarHBondContact O-N 3.12Å; V127-Y195 HydrophobicContact CG1-CD1 4.25Å; V127-Y195 HydrophobicContact CG1-CD2 4.35Å; V127-Y195 HydrophobicContact CG1-CG 3.88Å |
| 128 | H | 97.8 | Very high | 96.1 | Very high | 34 Ų | 34 | 65.6 Ų | 65.6 | 16% | 0.157 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -4.8 | 177.6 | -63.3 | 80.8 | 0 | 0 | 0 | 113.6 | E114 W116 N126 L130 Y195 L197 | E114-H128 PolarHBondContact O-NE2 3.21Å; W116-H128 AromaticContact CD1-CD2 3.79Å; W116-H128 AromaticContact CD1-NE2 3.87Å; N126-H128 PolarHBondContact O-N 3.07Å; N126-H128 VanDerWaalsContact O-N 3.12Å; H128-L130 HydrophobicContact CB-CG 4.4Å; H128-L130 PolarHBondContact O-N 2.83Å; H128-Y195 PolarHBondContact CE1-O 3.22Å; H128-Y195 PolarHBondContact NE2-O 3.48Å; H128-L197 HydrophobicContact CB-CD2 4.05Å |
| 129 | G | 97 | Very high | 95.9 | Very high | 62 Ų | 62 | 68.5 Ų | 68.5 | 64% | 0.639 | 38% | 0.383 | S | S | * | . | trans | 65.9 | 33.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114 | N126 | N126-G129 PolarHBondContact O-N 2.67Å; N126-G129 PolarHBondContact OD1-N 3.13Å | ||
| 130 | L | 96.3 | Very high | 95.9 | Very high | 35 Ų | 35 | 66.6 Ų | 66.6 | 18% | 0.183 | 37% | 0.367 | C | S | . | . | trans | -63.3 | 151.1 | 174.4 | -60 | -179.5 | 0 | 0 | 0 | 110.5 | M6 N126 H128 T134 W135 V138 L197 | M6-L130 HydrophobicContact CE-CD1 3.78Å; M6-L130 HydrophobicContact CE-CD2 4.22Å; N126-L130 PolarHBondContact ND2-N 3.15Å; N126-L130 PolarHBondContact ND2-O 3.38Å; N126-L130 PolarHBondContact OD1-N 2.65Å; H128-L130 HydrophobicContact CB-CG 4.4Å; H128-L130 PolarHBondContact O-N 2.83Å; L130-T134 HydrophobicContact CD1-CG2 4.29Å; L130-W135 HydrophobicContact CB-CB 4.37Å; L130-W135 HydrophobicContact CD1-CE3 4.2Å; L130-V138 HydrophobicContact CD1-CG2 3.86Å; L130-L197 HydrophobicContact CD1-CD1 4.22Å; L130-L197 HydrophobicContact CD1-CD2 3.86Å; L130-L197 HydrophobicContact CD2-CD2 4.05Å; L130-L197 HydrophobicContact CG-CD2 4.26Å | ||
| 131 | D | 96.1 | Very high | 95.9 | Very high | 77 Ų | 77 | 66.2 Ų | 66.2 | 41% | 0.412 | 37% | 0.365 | S | S | . | . | trans | -64.7 | 156 | 174.5 | 73.4 | 89 | 0 | 0 | 0 | 111.1 | N133 T134 W135 | D131-N133 PolarHBondContact O-N 3.47Å; D131-N133 VanDerWaalsContact O-N 3.12Å; D131-N133 WeakPolarHBondContact OD1-CA 3.06Å; D131-N133 WeakPolarHBondContact OD1-CB 3.4Å; D131-N133 PolarHBondContact OD1-N 3.4Å; D131-T134 PolarHBondContact O-N 3.2Å; D131-T134 PolarHBondContact OD1-N 2.82Å; D131-T134 PolarHBondContact OD1-OG1 2.9Å; D131-T134 WeakPolarHBondContact OD2-CB 3.08Å; D131-T134 PolarHBondContact OD2-OG1 3.16Å; D131-W135 WeakPolarHBondContact O-CB 3.19Å; D131-W135 PolarHBondContact O-N 2.9Å | ||
| 132 | P | 95.9 | Very high | 95.9 | Very high | 96 Ų | 96 | 68.8 Ų | 68.8 | 62% | 0.623 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -60.6 | -25 | -174.4 | -26.5 | 35.4 | 0 | 0 | 0 | 115.5 | K136 | P132-K136 WeakPolarHBondContact O-CD 3.3Å; P132-K136 VanDerWaalsContact O-CG 3.25Å; P132-K136 WeakPolarHBondContact O-CG 3.25Å |
| 133 | N | 93.9 | Very high | 96 | Very high | 118 Ų | 118 | 68.8 Ų | 68.8 | 63% | 0.631 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -80.9 | -44.6 | -179.8 | -67.2 | -31.8 | 0 | 0 | 0 | 110.5 | D131 K136 | D131-N133 PolarHBondContact O-N 3.47Å; D131-N133 VanDerWaalsContact O-N 3.12Å; D131-N133 WeakPolarHBondContact OD1-CA 3.06Å; D131-N133 WeakPolarHBondContact OD1-CB 3.4Å; D131-N133 PolarHBondContact OD1-N 3.4Å; N133-K136 PolarHBondContact O-N 2.71Å |
| 134 | T | 93.8 | Very high | 96.2 | Very high | 42 Ų | 42 | 64.7 Ų | 64.7 | 26% | 0.258 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.3 | -43.6 | 173.5 | -56.5 | 0 | 0 | 0 | 0 | 111.1 | M6 L130 D131 K136 T137 | M6-T134 HydrophobicContact CE-CG2 4.16Å; M6-T134 HydrophobicContact SD-CG2 3.51Å; M6-T134 VanDerWaalsContact SD-CG2 3.51Å; L130-T134 HydrophobicContact CD1-CG2 4.29Å; D131-T134 PolarHBondContact O-N 3.2Å; D131-T134 PolarHBondContact OD1-N 2.82Å; D131-T134 PolarHBondContact OD1-OG1 2.9Å; D131-T134 WeakPolarHBondContact OD2-CB 3.08Å; D131-T134 PolarHBondContact OD2-OG1 3.16Å; T134-K136 PolarHBondContact O-N 3.26Å; T134-T137 PolarHBondContact O-N 2.86Å; T134-T137 PolarHBondContact O-OG1 3.32Å |
| 135 | W | 95.8 | Very high | 96.3 | Very high | 48 Ų | 48 | 61.1 Ų | 61.1 | 18% | 0.182 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.1 | -34.7 | -178.6 | 178.4 | -118.2 | 0 | 0 | 0 | 113.4 | K8 E125 N126 L130 D131 T137 V138 I140 | K8-W135 HydrophobicContact CD-CH2 3.83Å; K8-W135 HydrophobicContact CD-CZ3 3.9Å; E125-W135 VanDerWaalsContact C-CZ2 3.46Å; E125-W135 HydrophobicContact CB-CZ2 4.05Å; E125-W135 WeakPolarHBondContact O-CH2 3.13Å; E125-W135 VanDerWaalsContact O-CZ2 3.29Å; E125-W135 WeakPolarHBondContact O-CZ2 3.32Å; N126-W135 HydrophobicContact CB-CD2 3.94Å; N126-W135 HydrophobicContact CB-CE3 4.33Å; N126-W135 HydrophobicContact CB-CG 4.25Å; N126-W135 HydrophobicContact CB-CZ2 4.42Å; L130-W135 HydrophobicContact CB-CB 4.37Å; L130-W135 HydrophobicContact CD1-CE3 4.2Å; D131-W135 WeakPolarHBondContact O-CB 3.19Å; D131-W135 PolarHBondContact O-N 2.9Å; W135-T137 PolarHBondContact O-N 3.49Å; W135-V138 HydrophobicContact CE3-CB 3.98Å; W135-V138 HydrophobicContact CE3-CG1 4.32Å; W135-V138 HydrophobicContact CE3-CG2 4.05Å; W135-V138 HydrophobicContact CZ3-CB 4.02Å; W135-V138 HydrophobicContact CZ3-CG1 3.87Å; W135-V138 HydrophobicContact CZ3-CG2 4.41Å; W135-V138 PolarHBondContact O-N 2.8Å; W135-I140 HydrophobicContact CH2-CD1 4.24Å; W135-I140 HydrophobicContact CH2-CG1 4.23Å; W135-I140 HydrophobicContact CZ2-CD1 4.17Å |
| 136 | K | 94.8 | Very high | 96.4 | Very high | 164 Ų | 164 | 57.4 Ų | 57.4 | 71% | 0.713 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -21.4 | 178.3 | -75.2 | 169.1 | -173.9 | 175.9 | 0 | 113.9 | P132 N133 T134 | P132-K136 WeakPolarHBondContact O-CD 3.3Å; P132-K136 VanDerWaalsContact O-CG 3.25Å; P132-K136 WeakPolarHBondContact O-CG 3.25Å; N133-K136 PolarHBondContact O-N 2.71Å; T134-K136 PolarHBondContact O-N 3.26Å |
| 137 | T | 93 | Very high | 96.5 | Very high | 101 Ų | 101 | 57.4 Ų | 57.4 | 62% | 0.62 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | -8 | 179.4 | 68.5 | 0 | 0 | 0 | 0 | 112.7 | T134 W135 E139 | T134-T137 PolarHBondContact O-N 2.86Å; T134-T137 PolarHBondContact O-OG1 3.32Å; W135-T137 PolarHBondContact O-N 3.49Å; T137-E139 PolarHBondContact O-N 3.28Å |
| 138 | V | 95.3 | Very high | 96.5 | Very high | 15 Ų | 15 | 60.4 Ų | 60.4 | 9% | 0.091 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -78.1 | 119.1 | -178.7 | 179.6 | 0 | 0 | 0 | 0 | 110.1 | M6 K8 L130 W135 L197 | M6-V138 HydrophobicContact CB-CG2 4Å; K8-V138 HydrophobicContact CB-CG1 3.72Å; L130-V138 HydrophobicContact CD1-CG2 3.86Å; W135-V138 HydrophobicContact CE3-CB 3.98Å; W135-V138 HydrophobicContact CE3-CG1 4.32Å; W135-V138 HydrophobicContact CE3-CG2 4.05Å; W135-V138 HydrophobicContact CZ3-CB 4.02Å; W135-V138 HydrophobicContact CZ3-CG1 3.87Å; W135-V138 HydrophobicContact CZ3-CG2 4.41Å; W135-V138 PolarHBondContact O-N 2.8Å; V138-L197 HydrophobicContact CG1-CD1 4.12Å |
| 139 | E | 94.4 | Very high | 96.5 | Very high | 115 Ų | 115 | 63.5 Ų | 63.5 | 54% | 0.537 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 135 | 169.1 | -175.5 | 175.7 | 170.5 | 0 | 0 | 110.4 | M6 E7 K8 T137 V141 | M6-E139 PolarHBondContact O-N 3.32Å; E7-E139 HydrophobicContact CG-CB 4.43Å; K8-E139 PolarHBondContact N-O 3.44Å; T137-E139 PolarHBondContact O-N 3.28Å; E139-V141 HydrophobicContact CG-CG2 4.22Å |
| 140 | I | 96.6 | Very high | 96.5 | Very high | 61 Ų | 61 | 63 Ų | 63 | 31% | 0.313 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 119.4 | 175.1 | -63.3 | 158.9 | 0 | 0 | 0 | 108.7 | R10 W135 | R10-I140 HydrophobicContact CG-CG2 4.32Å; W135-I140 HydrophobicContact CH2-CD1 4.24Å; W135-I140 HydrophobicContact CH2-CG1 4.23Å; W135-I140 HydrophobicContact CZ2-CD1 4.17Å |
| 141 | V | 96.9 | Very high | 96.5 | Very high | 13 Ų | 13 | 61.7 Ų | 61.7 | 8% | 0.079 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 127.4 | 176.7 | 176 | 0 | 0 | 0 | 0 | 109.5 | E7 K8 C9 R10 E139 I143 K220 | E7-V141 HydrophobicContact CG-CB 4.27Å; E7-V141 HydrophobicContact CG-CG2 3.64Å; E7-V141 WeakPolarHBondContact OE2-CG2 3.45Å; K8-V141 PolarHBondContact O-N 2.84Å; C9-V141 CarbonylContact C-O 3.23Å; C9-V141 VanDerWaalsContact CA-O 3.3Å; C9-V141 WeakPolarHBondContact CA-O 3.42Å; R10-V141 PolarHBondContact N-O 2.96Å; E139-V141 HydrophobicContact CG-CG2 4.22Å; V141-I143 HydrophobicContact CG1-CG1 4.5Å; V141-K220 HydrophobicContact CG1-CD 3.95Å; V141-K220 HydrophobicContact CG1-CG 4.38Å |
| 142 | H | 97.9 | Very high | 96.5 | Very high | 105 Ų | 105 | 63.2 Ų | 63.2 | 49% | 0.486 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 122.9 | 173.5 | -67.9 | -88.5 | 0 | 0 | 0 | 109.6 | ||
| 143 | I | 98.6 | Very high | 96.4 | Very high | 5 Ų | 5 | 63.5 Ų | 63.5 | 3% | 0.026 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 120.7 | 173.1 | -62.5 | 179.9 | 0 | 0 | 0 | 107.8 | C9 R10 V11 V141 K220 F223 T224 | C9-I143 HydrophobicContact CB-CD1 4.18Å; R10-I143 PolarHBondContact O-N 2.68Å; V11-I143 HydrophobicContact CG1-CB 4.43Å; V11-I143 HydrophobicContact CG1-CG2 4.35Å; V11-I143 HydrophobicContact CG2-CB 4.1Å; V11-I143 HydrophobicContact CG2-CD1 4.09Å; V11-I143 HydrophobicContact CG2-CG1 4.49Å; V141-I143 HydrophobicContact CG1-CG1 4.5Å; I143-K220 HydrophobicContact CD1-CG 4.35Å; I143-F223 HydrophobicContact CD1-CB 3.43Å; I143-F223 VanDerWaalsContact CD1-CB 3.43Å; I143-F223 HydrophobicContact CD1-CD2 4.16Å; I143-F223 HydrophobicContact CD1-CG 4.33Å; I143-T224 HydrophobicContact CG2-CG2 4.38Å |
| 144 | D | 98.6 | Very high | 96.3 | Very high | 19 Ų | 19 | 62.3 Ų | 62.3 | 10% | 0.102 | 34% | 0.337 | C | S | . | . | trans | -107.7 | 106.3 | 174.9 | -167.6 | -22 | 0 | 0 | 0 | 109.7 | A146 D147 W179 K180 | D144-A146 PolarHBondContact O-N 3.4Å; D144-A146 VanDerWaalsContact O-N 3.14Å; D144-A146 PolarHBondContact OD1-N 3.49Å; D144-A146 VanDerWaalsContact OD1-N 3.12Å; D144-D147 HydrophobicContact CB-CB 3.76Å; D144-D147 PolarHBondContact O-N 3.25Å; D144-D147 VanDerWaalsContact O-N 3.07Å; D144-W179 PolarHBondContact OD1-NE1 3.15Å; D144-K180 WeakPolarHBondContact OD2-CE 3.22Å; D144-K180 IonicContact OD2-NZ 3.64Å; D144-K180 PolarHBondContact OD2-NZ 3.11Å | ||
| 145 | I | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -18.3 | -175.5 | 62.1 | 163.7 | 0 | 0 | 0 | 113.3 | V11 L13 P162 L175 W179 H227 R228 F231 | V11-I145 HydrophobicContact CG1-CG2 4.15Å; L13-I145 HydrophobicContact CD2-CD1 3.81Å; L13-I145 HydrophobicContact CD2-CG2 4.19Å; I145-P162 HydrophobicContact CB-CG 4.34Å; I145-P162 HydrophobicContact CD1-CB 4.42Å; I145-P162 HydrophobicContact CD1-CG 4.28Å; I145-P162 HydrophobicContact CG1-CG 4.46Å; I145-P162 WeakPolarHBondContact O-CG 3.29Å; I145-L175 HydrophobicContact CD1-CD1 3.63Å; I145-L175 HydrophobicContact CG1-CD1 3.93Å; I145-W179 HydrophobicContact CG1-CH2 4.48Å; I145-W179 HydrophobicContact CG1-CZ2 4.08Å; I145-H227 HydrophobicContact CG2-CB 3.61Å; I145-R228 HydrophobicContact CB-CG 3.97Å; I145-R228 HydrophobicContact CG2-CG 4.43Å; I145-R228 VanDerWaalsContact O-CG 3.32Å; I145-R228 WeakPolarHBondContact O-CG 3.43Å; I145-R228 PolarHBondContact O-NH1 2.99Å; I145-F231 HydrophobicContact CD1-CB 4.02Å; I145-F231 HydrophobicContact CD1-CG 4.26Å |
| 146 | A | 98.6 | Very high | 96.4 | Very high | 13 Ų | 13 | 62.4 Ų | 62.4 | 11% | 0.107 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -14.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | D144 R148 L175 W179 | D144-A146 PolarHBondContact O-N 3.4Å; D144-A146 VanDerWaalsContact O-N 3.14Å; D144-A146 PolarHBondContact OD1-N 3.49Å; D144-A146 VanDerWaalsContact OD1-N 3.12Å; A146-R148 PolarHBondContact O-N 2.94Å; A146-L175 HydrophobicContact CB-CB 3.69Å; A146-W179 HydrophobicContact CB-CG 4.48Å |
| 147 | D | 98.4 | Very high | 96.5 | Very high | 53 Ų | 53 | 58.9 Ų | 58.9 | 28% | 0.283 | 32% | 0.319 | S | S | . | . | trans | -82.1 | 103.8 | -175.1 | -177.4 | -1.3 | 0 | 0 | 0 | 111.2 | D144 S149 Q150 | D144-D147 HydrophobicContact CB-CB 3.76Å; D144-D147 PolarHBondContact O-N 3.25Å; D144-D147 VanDerWaalsContact O-N 3.07Å; D147-S149 PolarHBondContact O-N 2.7Å; D147-S149 VanDerWaalsContact O-N 3.12Å; D147-S149 WeakPolarHBondContact OD1-CB 3.27Å; D147-S149 PolarHBondContact OD1-N 2.62Å; D147-S149 PolarHBondContact OD1-OG 2.93Å; D147-S149 PolarHBondContact OD2-OG 2.87Å; D147-Q150 HydrophobicContact CB-CG 4.14Å; D147-Q150 PolarHBondContact O-N 3.29Å; D147-Q150 VanDerWaalsContact O-N 3.09Å; D147-Q150 PolarHBondContact OD2-NE2 3.36Å | ||
| 148 | R | 97.7 | Very high | 96.7 | Very high | 93 Ų | 93 | 56.8 Ų | 56.8 | 35% | 0.351 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -56.6 | -27.9 | 178.4 | 179.1 | 60.1 | -171.8 | 87.9 | -7.5 | 113.1 | A146 Q150 V151 Y156 | A146-R148 PolarHBondContact O-N 2.94Å; R148-Q150 PolarHBondContact O-N 3.45Å; R148-V151 PolarHBondContact NH1-O 3.49Å; R148-V151 PolarHBondContact O-N 2.74Å; R148-Y156 VanDerWaalsContact CD-CD2 3.43Å; R148-Y156 VanDerWaalsContact NH2-CG 3.35Å |
| 149 | S | 97.6 | Very high | 96.8 | Very high | 99 Ų | 99 | 61.7 Ų | 61.7 | 69% | 0.692 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -71 | -16.8 | -178.8 | 75.1 | 0 | 0 | 0 | 0 | 113.5 | D147 V151 | D147-S149 PolarHBondContact O-N 2.7Å; D147-S149 VanDerWaalsContact O-N 3.12Å; D147-S149 WeakPolarHBondContact OD1-CB 3.27Å; D147-S149 PolarHBondContact OD1-N 2.62Å; D147-S149 PolarHBondContact OD1-OG 2.93Å; D147-S149 PolarHBondContact OD2-OG 2.87Å; S149-V151 VanDerWaalsContact C-N 3.33Å |
| 150 | Q | 97.8 | Very high | 97 | Very high | 51 Ų | 51 | 57 Ų | 57 | 24% | 0.238 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -87.7 | -1.8 | 177.4 | -61.9 | -176.8 | 30.7 | 0 | 0 | 113.3 | D147 R148 T224 | D147-Q150 HydrophobicContact CB-CG 4.14Å; D147-Q150 PolarHBondContact O-N 3.29Å; D147-Q150 VanDerWaalsContact O-N 3.09Å; D147-Q150 PolarHBondContact OD2-NE2 3.36Å; R148-Q150 PolarHBondContact O-N 3.45Å; Q150-T224 HydrophobicContact CB-CG2 4.33Å |
| 151 | V | 97.3 | Very high | 97.1 | Very high | 7 Ų | 7 | 54.5 Ų | 54.5 | 4% | 0.042 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -107.9 | 125.2 | -177.3 | -174.5 | 0 | 0 | 0 | 0 | 109.7 | R148 S149 D155 Y156 T224 | R148-V151 PolarHBondContact NH1-O 3.49Å; R148-V151 PolarHBondContact O-N 2.74Å; S149-V151 VanDerWaalsContact C-N 3.33Å; V151-D155 HydrophobicContact CG1-CB 4.15Å; V151-Y156 HydrophobicContact CG1-CD2 4.44Å; V151-T224 HydrophobicContact CG2-CG2 4.14Å |
| 152 | E | 94.3 | Very high | 97.1 | Very high | 109 Ų | 109 | 53.9 Ų | 53.9 | 51% | 0.509 | 30% | 0.299 | S | S | . | . | trans | -60.3 | 141.7 | 175.8 | -68.5 | -60.8 | 155.8 | 0 | 0 | 110.8 | A154 D155 Y156 | E152-A154 PolarHBondContact O-N 2.9Å; E152-A154 VanDerWaalsContact O-N 3.15Å; E152-D155 HydrophobicContact CB-CB 4.41Å; E152-D155 PolarHBondContact O-N 2.87Å; E152-Y156 PolarHBondContact O-N 2.75Å | ||
| 153 | P | 94.4 | Very high | 97.2 | Very high | 102 Ų | 102 | 50.6 Ų | 50.6 | 66% | 0.662 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -53.9 | -37.2 | -180 | -28 | 35.4 | 0 | 0 | 0 | 113.8 | D155 Y156 | P153-D155 VanDerWaalsContact C-N 3.29Å; P153-D155 PolarHBondContact O-N 2.7Å; P153-Y156 PolarHBondContact O-N 3.4Å |
| 154 | A | 92.2 | Very high | 97.2 | Very high | 94 Ų | 94 | 55.6 Ų | 55.6 | 78% | 0.777 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | -71.6 | -20.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114 | E152 | E152-A154 PolarHBondContact O-N 2.9Å; E152-A154 VanDerWaalsContact O-N 3.15Å |
| 155 | D | 94.1 | Very high | 97.2 | Very high | 18 Ų | 18 | 56.7 Ų | 56.7 | 10% | 0.096 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -94.3 | -15 | -179.9 | -66.3 | -18.7 | 0 | 0 | 0 | 112.9 | V151 E152 P153 K157 R221 N225 | V151-D155 HydrophobicContact CG1-CB 4.15Å; E152-D155 HydrophobicContact CB-CB 4.41Å; E152-D155 PolarHBondContact O-N 2.87Å; P153-D155 VanDerWaalsContact C-N 3.29Å; P153-D155 PolarHBondContact O-N 2.7Å; D155-K157 PolarHBondContact O-N 3.08Å; D155-R221 VanDerWaalsContact CG-NH2 3.35Å; D155-R221 IonicContact OD1-CZ 2.95Å; D155-R221 IonicContact OD1-NE 3.55Å; D155-R221 IonicContact OD1-NH2 2.85Å; D155-R221 PolarHBondContact OD1-NH2 2.73Å; D155-R221 WeakPolarHBondContact OD2-CG 3.35Å; D155-R221 IonicContact OD2-CZ 2.67Å; D155-R221 IonicContact OD2-NE 2.71Å; D155-R221 PolarHBondContact OD2-NE 3.24Å; D155-R221 IonicContact OD2-NH2 3.74Å; D155-R221 PolarHBondContact OD2-NH2 3.36Å; D155-N225 VanDerWaalsContact CG-ND2 3.27Å; D155-N225 PolarHBondContact OD2-ND2 3.49Å |
| 156 | Y | 96.9 | Very high | 97.2 | Very high | 74 Ų | 74 | 62 Ų | 62 | 29% | 0.29 | 35% | 0.345 | S | S | . | . | trans | -69.3 | 124.8 | -171.7 | -178.5 | -103.4 | 0 | 0 | 0 | 111.9 | R148 V151 E152 P153 D161 | R148-Y156 VanDerWaalsContact CD-CD2 3.43Å; R148-Y156 VanDerWaalsContact NH2-CG 3.35Å; V151-Y156 HydrophobicContact CG1-CD2 4.44Å; E152-Y156 PolarHBondContact O-N 2.75Å; P153-Y156 PolarHBondContact O-N 3.4Å; Y156-D161 HydrophobicContact CE2-CB 4.12Å; Y156-D161 WeakPolarHBondContact CE2-OD2 3.46Å; Y156-D161 PolarHBondContact OH-OD2 2.85Å | ||
| 157 | K | 96.6 | Very high | 97.1 | Very high | 90 Ų | 90 | 61.4 Ų | 61.4 | 39% | 0.391 | 34% | 0.34 | S | S | . | . | trans | -130.7 | 133.6 | 168.3 | -48.5 | -175.6 | -153.5 | 147.9 | 0 | 109.4 | D155 D159 E160 D161 | D155-K157 PolarHBondContact O-N 3.08Å; K157-D159 VanDerWaalsContact C-N 3.29Å; K157-D159 VanDerWaalsContact CB-OD1 3.28Å; K157-D159 WeakPolarHBondContact CB-OD1 3.33Å; K157-D159 PolarHBondContact O-N 3.5Å; K157-E160 HydrophobicContact CB-CB 4.25Å; K157-E160 HydrophobicContact CB-CG 4.29Å; K157-E160 HydrophobicContact CD-CG 4.44Å; K157-E160 IonicContact NZ-OE1 3.25Å; K157-E160 PolarHBondContact NZ-OE1 3.48Å; K157-E160 IonicContact NZ-OE2 3.27Å; K157-E160 PolarHBondContact NZ-OE2 2.68Å; K157-E160 CarbonylContact O-C 3.45Å; K157-E160 PolarHBondContact O-N 2.84Å; K157-E160 VanDerWaalsContact O-N 3.14Å; K157-D161 PolarHBondContact O-N 3.27Å | ||
| 158 | A | 97.8 | Very high | 97.1 | Very high | 57 Ų | 57 | 63.9 Ų | 63.9 | 47% | 0.471 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -66.9 | -30.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | E160 D161 L164 | A158-E160 VanDerWaalsContact C-N 3.26Å; A158-E160 PolarHBondContact O-N 3.43Å; A158-D161 WeakPolarHBondContact O-CB 3.23Å; A158-D161 PolarHBondContact O-N 2.7Å; A158-L164 HydrophobicContact CB-CD1 4.26Å |
| 159 | D | 97.3 | Very high | 97.1 | Very high | 117 Ų | 117 | 64.8 Ų | 64.8 | 63% | 0.626 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | -78 | -8.9 | 175.7 | 63 | -40.8 | 0 | 0 | 0 | 113.6 | K157 | K157-D159 VanDerWaalsContact C-N 3.29Å; K157-D159 VanDerWaalsContact CB-OD1 3.28Å; K157-D159 WeakPolarHBondContact CB-OD1 3.33Å; K157-D159 PolarHBondContact O-N 3.5Å |
| 160 | E | 97.9 | Very high | 97.1 | Very high | 18 Ų | 18 | 61.8 Ų | 61.8 | 8% | 0.084 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -112.3 | 26.5 | 171.8 | -59.1 | 174.7 | -178.5 | 0 | 0 | 110.6 | K157 A158 P162 R228 Q229 | K157-E160 HydrophobicContact CB-CB 4.25Å; K157-E160 HydrophobicContact CB-CG 4.29Å; K157-E160 HydrophobicContact CD-CG 4.44Å; K157-E160 IonicContact NZ-OE1 3.25Å; K157-E160 PolarHBondContact NZ-OE1 3.48Å; K157-E160 IonicContact NZ-OE2 3.27Å; K157-E160 PolarHBondContact NZ-OE2 2.68Å; K157-E160 CarbonylContact O-C 3.45Å; K157-E160 PolarHBondContact O-N 2.84Å; K157-E160 VanDerWaalsContact O-N 3.14Å; A158-E160 VanDerWaalsContact C-N 3.26Å; A158-E160 PolarHBondContact O-N 3.43Å; E160-P162 WeakPolarHBondContact O-CD 3.46Å; E160-R228 PolarHBondContact O-NE 2.99Å; E160-R228 PolarHBondContact O-NH2 2.86Å; E160-Q229 HydrophobicContact CB-CG 4.17Å; E160-Q229 HydrophobicContact CG-CG 3.93Å; E160-Q229 PolarHBondContact OE1-NE2 3.38Å; E160-Q229 WeakPolarHBondContact OE2-CG 3.45Å; E160-Q229 PolarHBondContact OE2-NE2 2.89Å |
| 161 | D | 98.6 | Very high | 97 | Very high | 7 Ų | 7 | 66 Ų | 66 | 4% | 0.037 | 36% | 0.358 | C | S | . | . | trans | -105.7 | 104.8 | 179.1 | -161.9 | 2.6 | 0 | 0 | 0 | 113.5 | Y156 K157 A158 A163 L164 F165 R228 C232 | Y156-D161 HydrophobicContact CE2-CB 4.12Å; Y156-D161 WeakPolarHBondContact CE2-OD2 3.46Å; Y156-D161 PolarHBondContact OH-OD2 2.85Å; K157-D161 PolarHBondContact O-N 3.27Å; A158-D161 WeakPolarHBondContact O-CB 3.23Å; A158-D161 PolarHBondContact O-N 2.7Å; D161-A163 PolarHBondContact O-N 3.13Å; D161-A163 VanDerWaalsContact O-N 3.08Å; D161-A163 PolarHBondContact OD1-N 2.9Å; D161-L164 HydrophobicContact CB-CB 4.24Å; D161-L164 HydrophobicContact CB-CD1 4.07Å; D161-L164 HydrophobicContact CB-CG 4.09Å; D161-L164 PolarHBondContact O-N 2.91Å; D161-F165 WeakPolarHBondContact O-CB 3.46Å; D161-F165 PolarHBondContact O-N 3.24Å; D161-R228 VanDerWaalsContact CA-NH2 3.27Å; D161-R228 IonicContact OD1-CZ 2.91Å; D161-R228 IonicContact OD1-NH1 3.41Å; D161-R228 PolarHBondContact OD1-NH1 3.47Å; D161-R228 IonicContact OD1-NH2 3.9Å; D161-R228 PolarHBondContact OD1-NH2 2.89Å; D161-R228 IonicContact OD2-NH2 2.72Å; D161-C232 VanDerWaalsContact C-SG 3.55Å | ||
| 162 | P | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -24.8 | 176.4 | -29.3 | 38.6 | 0 | 0 | 0 | 114.4 | I145 E160 L164 L175 R228 F231 | I145-P162 HydrophobicContact CB-CG 4.34Å; I145-P162 HydrophobicContact CD1-CB 4.42Å; I145-P162 HydrophobicContact CD1-CG 4.28Å; I145-P162 HydrophobicContact CG1-CG 4.46Å; I145-P162 WeakPolarHBondContact O-CG 3.29Å; E160-P162 WeakPolarHBondContact O-CD 3.46Å; P162-L164 PolarHBondContact O-N 2.87Å; P162-L175 HydrophobicContact CB-CB 4.35Å; P162-L175 HydrophobicContact CB-CD1 3.74Å; P162-L175 HydrophobicContact CB-CG 4.11Å; P162-L175 PolarHBondContact O-N 3.1Å; P162-R228 HydrophobicContact CG-CB 4.08Å; P162-R228 HydrophobicContact CG-CG 4Å; P162-F231 HydrophobicContact CB-CD1 3.51Å; P162-F231 HydrophobicContact CB-CE1 3.92Å; P162-F231 HydrophobicContact CB-CG 4.44Å; P162-F231 HydrophobicContact CG-CB 4.43Å; P162-F231 HydrophobicContact CG-CD1 3.89Å |
| 163 | A | 98.6 | Very high | 97.1 | Very high | 37 Ų | 37 | 62.9 Ų | 62.9 | 31% | 0.306 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -14 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | D161 P174 L175 | D161-A163 PolarHBondContact O-N 3.13Å; D161-A163 VanDerWaalsContact O-N 3.08Å; D161-A163 PolarHBondContact OD1-N 2.9Å; A163-P174 VanDerWaalsContact O-CB 3.31Å; A163-P174 WeakPolarHBondContact O-CB 3.39Å; A163-L175 WeakPolarHBondContact CA-O 3.43Å |
| 164 | L | 98.6 | Very high | 97.3 | Very high | 110 Ų | 110 | 61.4 Ų | 61.4 | 58% | 0.576 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.3 | -22 | 178.3 | -57.2 | -179.8 | 0 | 0 | 0 | 112.5 | A158 D161 P162 | A158-L164 HydrophobicContact CB-CD1 4.26Å; D161-L164 HydrophobicContact CB-CB 4.24Å; D161-L164 HydrophobicContact CB-CD1 4.07Å; D161-L164 HydrophobicContact CB-CG 4.09Å; D161-L164 PolarHBondContact O-N 2.91Å; P162-L164 PolarHBondContact O-N 2.87Å |
| 165 | F | 98.6 | Very high | 97.6 | Very high | 41 Ų | 41 | 57.5 Ų | 57.5 | 18% | 0.18 | 30% | 0.303 | C | S | . | . | trans | -86.2 | 131.7 | -175.3 | 175 | -94.6 | 0 | 0 | 0 | 112.8 | D161 P174 F231 C232 I234 | D161-F165 WeakPolarHBondContact O-CB 3.46Å; D161-F165 PolarHBondContact O-N 3.24Å; F165-P174 WeakPolarHBondContact O-CA 3.3Å; F165-F231 HydrophobicContact CD1-CD1 4.04Å; F165-F231 AromaticContact CD1-CE1 3.76Å; F165-F231 HydrophobicContact CD1-CE1 3.76Å; F165-F231 HydrophobicContact CD1-CZ 4.45Å; F165-F231 HydrophobicContact CE1-CE1 4.44Å; F165-C232 HydrophobicContact CB-CB 4.45Å; F165-C232 HydrophobicContact CD1-CB 4.44Å; F165-C232 HydrophobicContact CD2-CB 4.36Å; F165-C232 VanDerWaalsContact CE2-O 3.23Å; F165-C232 WeakPolarHBondContact CE2-O 3.47Å; F165-C232 HydrophobicContact CG-CB 4.15Å; F165-C232 VanDerWaalsContact CZ-O 3.28Å; F165-C232 WeakPolarHBondContact CZ-O 3.35Å; F165-I234 HydrophobicContact CE1-CG2 3.65Å; F165-I234 HydrophobicContact CZ-CG2 3.94Å | ||
| 166 | Q | 98.3 | Very high | 97.7 | Very high | 112 Ų | 112 | 58 Ų | 58 | 52% | 0.523 | 31% | 0.312 | S | S | . | . | trans | -123 | 127.5 | 165.9 | -179.9 | 169.3 | 60.7 | 0 | 0 | 109.8 | V168 K171 R172 G173 | Q166-V168 PolarHBondContact O-N 2.71Å; Q166-K171 PolarHBondContact NE2-O 3.34Å; Q166-R172 WeakPolarHBondContact CA-O 3.38Å; Q166-G173 VanDerWaalsContact CG-O 3.28Å; Q166-G173 WeakPolarHBondContact CG-O 3.3Å; Q166-G173 PolarHBondContact NE2-O 2.96Å | ||
| 167 | S | 98.2 | Very high | 97.7 | Very high | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.007 | 34% | 0.338 | C | S | . | . | trans | -65.4 | 129 | 176.1 | 167.1 | 0 | 0 | 0 | 0 | 111.1 | K169 T170 K171 R172 D235 | S167-K169 PolarHBondContact OG-N 2.64Å; S167-T170 WeakPolarHBondContact CB-OG1 3.46Å; S167-T170 WeakPolarHBondContact OG-CB 3.15Å; S167-T170 PolarHBondContact OG-N 3.23Å; S167-T170 PolarHBondContact OG-OG1 2.67Å; S167-K171 WeakPolarHBondContact O-CA 3.34Å; S167-K171 PolarHBondContact O-N 2.68Å; S167-R172 PolarHBondContact N-O 3.33Å; S167-D235 WeakPolarHBondContact CA-OD2 3.44Å; S167-D235 WeakPolarHBondContact CB-OD1 3.45Å; S167-D235 PolarHBondContact OG-OD1 2.86Å | ||
| 168 | V | 98.4 | Very high | 97.7 | Very high | 105 Ų | 105 | 60.5 Ų | 60.5 | 64% | 0.636 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -37.2 | 174.7 | 178.4 | 0 | 0 | 0 | 0 | 110.6 | Q166 K171 D235 | Q166-V168 PolarHBondContact O-N 2.71Å; V168-K171 WeakPolarHBondContact O-CE 3.36Å; V168-K171 PolarHBondContact O-NZ 2.82Å; V168-D235 PolarHBondContact N-OD1 3.01Å; V168-D235 PolarHBondContact N-OD2 2.95Å |
| 169 | K | 97.9 | Very high | 97.7 | Very high | 111 Ų | 111 | 58.1 Ų | 58.1 | 48% | 0.483 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | -41.3 | -175.5 | -63.3 | -175.2 | 175.6 | 179.2 | 0 | 113.3 | S167 D235 I238 D239 | S167-K169 PolarHBondContact OG-N 2.64Å; K169-D235 WeakPolarHBondContact CB-OD1 3.43Å; K169-D235 HydrophobicContact CD-CB 4.31Å; K169-D235 WeakPolarHBondContact CE-O 3.09Å; K169-D235 HydrophobicContact CG-CB 4.37Å; K169-D235 PolarHBondContact N-OD1 2.88Å; K169-D235 VanDerWaalsContact N-OD1 3.09Å; K169-D235 PolarHBondContact NZ-O 3.26Å; K169-I238 HydrophobicContact CB-CG2 4.28Å; K169-I238 HydrophobicContact CD-CG2 3.71Å; K169-D239 VanDerWaalsContact CD-OD2 3.25Å; K169-D239 WeakPolarHBondContact CD-OD2 3.35Å; K169-D239 VanDerWaalsContact CE-OD2 3.3Å; K169-D239 WeakPolarHBondContact CE-OD2 3.25Å; K169-D239 IonicContact NZ-OD2 2.68Å; K169-D239 PolarHBondContact NZ-OD2 2.74Å |
| 170 | T | 96.3 | Very high | 97.7 | Very high | 37 Ų | 37 | 56.2 Ų | 56.2 | 23% | 0.227 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | -12.5 | -173.2 | 70.6 | 0 | 0 | 0 | 0 | 114 | S167 R172 I234 I238 | S167-T170 WeakPolarHBondContact CB-OG1 3.46Å; S167-T170 WeakPolarHBondContact OG-CB 3.15Å; S167-T170 PolarHBondContact OG-N 3.23Å; S167-T170 PolarHBondContact OG-OG1 2.67Å; T170-R172 PolarHBondContact O-N 2.94Å; T170-R172 VanDerWaalsContact O-N 3.1Å; T170-R172 WeakPolarHBondContact OG1-CB 3.45Å; T170-R172 VanDerWaalsContact OG1-CG 3.31Å; T170-R172 WeakPolarHBondContact OG1-CG 3.22Å; T170-R172 PolarHBondContact OG1-N 2.89Å; T170-I234 HydrophobicContact CG2-CD1 4.22Å; T170-I234 HydrophobicContact CG2-CG1 4.43Å; T170-I238 HydrophobicContact CG2-CD1 4.45Å; T170-I238 HydrophobicContact CG2-CG1 3.86Å; T170-I238 HydrophobicContact CG2-CG2 4.48Å |
| 171 | K | 96.4 | Very high | 97.5 | Very high | 138 Ų | 138 | 62.2 Ų | 62.2 | 60% | 0.6 | 33% | 0.333 | S | S | * | . | trans | 62.2 | 5.4 | -172.4 | -49.5 | -53.2 | -176.1 | -163.6 | 0 | 115.2 | Q166 S167 V168 | Q166-K171 PolarHBondContact NE2-O 3.34Å; S167-K171 WeakPolarHBondContact O-CA 3.34Å; S167-K171 PolarHBondContact O-N 2.68Å; V168-K171 WeakPolarHBondContact O-CE 3.36Å; V168-K171 PolarHBondContact O-NZ 2.82Å | ||
| 172 | R | 96.7 | Very high | 97.4 | Very high | 35 Ų | 35 | 67.4 Ų | 67.4 | 13% | 0.132 | 36% | 0.356 | C | S | . | . | trans | -68.7 | 144.6 | 175.8 | -60.2 | 177 | -160.3 | 170.3 | 9.3 | 110.7 | P14 E19 Q166 S167 T170 F231 | P14-R172 VanDerWaalsContact O-CD 3.31Å; P14-R172 WeakPolarHBondContact O-CD 3.32Å; P14-R172 PolarHBondContact O-NH1 2.81Å; E19-R172 IonicContact OE1-CZ 3.48Å; E19-R172 IonicContact OE1-NH1 2.75Å; E19-R172 IonicContact OE1-NH2 3.32Å; E19-R172 PolarHBondContact OE1-NH2 3.11Å; E19-R172 IonicContact OE2-CZ 3.58Å; E19-R172 IonicContact OE2-NH1 2.77Å; E19-R172 PolarHBondContact OE2-NH1 2.95Å; E19-R172 IonicContact OE2-NH2 3.6Å; E19-R172 PolarHBondContact OE2-NH2 2.91Å; Q166-R172 WeakPolarHBondContact CA-O 3.38Å; S167-R172 PolarHBondContact N-O 3.33Å; T170-R172 PolarHBondContact O-N 2.94Å; T170-R172 VanDerWaalsContact O-N 3.1Å; T170-R172 WeakPolarHBondContact OG1-CB 3.45Å; T170-R172 VanDerWaalsContact OG1-CG 3.31Å; T170-R172 WeakPolarHBondContact OG1-CG 3.22Å; T170-R172 PolarHBondContact OG1-N 2.89Å; R172-F231 HydrophobicContact CB-CE2 4.18Å; R172-F231 HydrophobicContact CB-CZ 4.32Å | ||
| 173 | G | 96.4 | Very high | 97.2 | Very high | 17 Ų | 17 | 67.8 Ų | 67.8 | 18% | 0.175 | 36% | 0.358 | C | S | . | . | trans | 80.5 | 172.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q166 | Q166-G173 VanDerWaalsContact CG-O 3.28Å; Q166-G173 WeakPolarHBondContact CG-O 3.3Å; Q166-G173 PolarHBondContact NE2-O 2.96Å | ||
| 174 | P | 98.1 | Very high | 96.9 | Very high | 71 Ų | 71 | 68.5 Ų | 68.5 | 46% | 0.461 | 36% | 0.364 | S | S | . | . | cis | -67 | 150 | -4.9 | 29.5 | -33.4 | 0 | 0 | 0 | 112.5 | A163 F165 G176 | A163-P174 VanDerWaalsContact O-CB 3.31Å; A163-P174 WeakPolarHBondContact O-CB 3.39Å; F165-P174 WeakPolarHBondContact O-CA 3.3Å; P174-G176 PolarHBondContact O-N 2.8Å | ||
| 175 | L | 98.4 | Very high | 96.6 | Very high | 12 Ų | 12 | 69.7 Ų | 69.7 | 6% | 0.063 | 37% | 0.371 | C | S | . | . | trans | -86.5 | 100.1 | 180 | -56.5 | -173.9 | 0 | 0 | 0 | 109.8 | P14 I145 A146 P162 A163 W179 F231 | P14-L175 HydrophobicContact CG-CD1 4.21Å; P14-L175 HydrophobicContact CG-CD2 4.2Å; I145-L175 HydrophobicContact CD1-CD1 3.63Å; I145-L175 HydrophobicContact CG1-CD1 3.93Å; A146-L175 HydrophobicContact CB-CB 3.69Å; P162-L175 HydrophobicContact CB-CB 4.35Å; P162-L175 HydrophobicContact CB-CD1 3.74Å; P162-L175 HydrophobicContact CB-CG 4.11Å; P162-L175 PolarHBondContact O-N 3.1Å; A163-L175 WeakPolarHBondContact CA-O 3.43Å; L175-W179 HydrophobicContact CB-CB 4Å; L175-W179 HydrophobicContact CB-CD2 4.32Å; L175-W179 HydrophobicContact CB-CG 3.9Å; L175-W179 HydrophobicContact CD1-CD2 4.12Å; L175-W179 HydrophobicContact CD1-CE3 4.23Å; L175-W179 HydrophobicContact CD1-CZ3 4.5Å; L175-W179 HydrophobicContact CD2-CB 4.2Å; L175-W179 HydrophobicContact CD2-CD2 4.27Å; L175-W179 HydrophobicContact CD2-CE3 4.08Å; L175-W179 HydrophobicContact CD2-CG 4.37Å; L175-W179 HydrophobicContact CG-CD2 4.48Å; L175-W179 HydrophobicContact CG-CG 4.5Å; L175-F231 HydrophobicContact CD1-CD1 4.21Å; L175-F231 HydrophobicContact CD1-CE1 3.98Å; L175-F231 HydrophobicContact CD1-CZ 4.14Å; L175-F231 HydrophobicContact CD2-CE1 4.37Å; L175-F231 HydrophobicContact CD2-CZ 3.94Å; L175-F231 HydrophobicContact CG-CE1 3.84Å; L175-F231 HydrophobicContact CG-CZ 3.93Å | ||
| 176 | G | 97.3 | Very high | 96.2 | Very high | 27 Ų | 27 | 69.9 Ų | 69.9 | 28% | 0.278 | 38% | 0.378 | S | S | . | . | trans | -75.1 | 174.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | P174 N178 W179 | P174-G176 PolarHBondContact O-N 2.8Å; G176-N178 PolarHBondContact O-N 3.25Å; G176-W179 VanDerWaalsContact O-CB 3.24Å; G176-W179 WeakPolarHBondContact O-CB 3.47Å; G176-W179 PolarHBondContact O-N 3.37Å | ||
| 177 | P | 96.9 | Very high | 95.4 | Very high | 129 Ų | 129 | 70.3 Ų | 70.3 | 84% | 0.838 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -23.5 | -177.1 | -26.9 | 35.4 | 0 | 0 | 0 | 115.5 | ||
| 178 | N | 96.7 | Very high | 94.7 | Very high | 88 Ų | 88 | 77.5 Ų | 77.5 | 47% | 0.471 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | 11 | 179.3 | -68.6 | -51.2 | 0 | 0 | 0 | 113.6 | G176 K180 K181 E182 | G176-N178 PolarHBondContact O-N 3.25Å; N178-K180 PolarHBondContact O-N 2.82Å; N178-K181 WeakPolarHBondContact O-CB 3.22Å; N178-K181 PolarHBondContact O-N 2.55Å; N178-E182 PolarHBondContact O-N 2.99Å; N178-E182 VanDerWaalsContact O-N 3.09Å |
| 179 | W | 97.6 | Very high | 94.2 | Very high | 8 Ų | 8 | 73.9 Ų | 73.9 | 3% | 0.03 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -54.1 | -34.2 | -171.1 | 75.6 | -87.1 | 0 | 0 | 0 | 113.8 | V12 P14 D144 I145 A146 L175 G176 E182 L183 | V12-W179 HydrophobicContact CB-CH2 4.24Å; V12-W179 HydrophobicContact CG1-CH2 3.92Å; V12-W179 HydrophobicContact CG1-CZ3 4.33Å; V12-W179 WeakPolarHBondContact O-CH2 3.42Å; P14-W179 HydrophobicContact CB-CZ3 4.24Å; P14-W179 HydrophobicContact CG-CZ3 4.23Å; D144-W179 PolarHBondContact OD1-NE1 3.15Å; I145-W179 HydrophobicContact CG1-CH2 4.48Å; I145-W179 HydrophobicContact CG1-CZ2 4.08Å; A146-W179 HydrophobicContact CB-CG 4.48Å; L175-W179 HydrophobicContact CB-CB 4Å; L175-W179 HydrophobicContact CB-CD2 4.32Å; L175-W179 HydrophobicContact CB-CG 3.9Å; L175-W179 HydrophobicContact CD1-CD2 4.12Å; L175-W179 HydrophobicContact CD1-CE3 4.23Å; L175-W179 HydrophobicContact CD1-CZ3 4.5Å; L175-W179 HydrophobicContact CD2-CB 4.2Å; L175-W179 HydrophobicContact CD2-CD2 4.27Å; L175-W179 HydrophobicContact CD2-CE3 4.08Å; L175-W179 HydrophobicContact CD2-CG 4.37Å; L175-W179 HydrophobicContact CG-CD2 4.48Å; L175-W179 HydrophobicContact CG-CG 4.5Å; G176-W179 VanDerWaalsContact O-CB 3.24Å; G176-W179 WeakPolarHBondContact O-CB 3.47Å; G176-W179 PolarHBondContact O-N 3.37Å; W179-E182 PolarHBondContact O-N 2.92Å; W179-L183 HydrophobicContact CE3-CD2 4.25Å; W179-L183 HydrophobicContact CZ3-CD2 3.73Å; W179-L183 WeakPolarHBondContact O-CB 3.39Å; W179-L183 PolarHBondContact O-N 2.85Å |
| 180 | K | 96.3 | Very high | 94 | Very high | 76 Ų | 76 | 70.3 Ų | 70.3 | 33% | 0.33 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.9 | -38.1 | 176.1 | -77.8 | 176.2 | -77 | -168.2 | 0 | 113.1 | V12 D144 N178 A184 | V12-K180 HydrophobicContact CB-CD 4.46Å; V12-K180 HydrophobicContact CG1-CG 4.33Å; D144-K180 WeakPolarHBondContact OD2-CE 3.22Å; D144-K180 IonicContact OD2-NZ 3.64Å; D144-K180 PolarHBondContact OD2-NZ 3.11Å; N178-K180 PolarHBondContact O-N 2.82Å; K180-A184 PolarHBondContact O-N 2.82Å; K180-A184 VanDerWaalsContact O-N 3.13Å |
| 181 | K | 95.4 | Very high | 94 | Very high | 145 Ų | 145 | 71.6 Ų | 71.6 | 63% | 0.63 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -72.2 | -38.4 | 175.9 | -67.1 | 177.6 | -179.4 | 170.4 | 0 | 110.7 | N178 A184 N185 | N178-K181 WeakPolarHBondContact O-CB 3.22Å; N178-K181 PolarHBondContact O-N 2.55Å; K181-A184 PolarHBondContact O-N 2.51Å; K181-N185 PolarHBondContact O-N 3.33Å; K181-N185 PolarHBondContact O-ND2 3.26Å |
| 182 | E | 95.2 | Very high | 94.1 | Very high | 115 Ų | 115 | 65 Ų | 65 | 54% | 0.537 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -65.4 | -44.2 | 176.1 | -68 | 164 | -166.6 | 0 | 0 | 110.8 | N178 W179 A184 N185 S186 | N178-E182 PolarHBondContact O-N 2.99Å; N178-E182 VanDerWaalsContact O-N 3.09Å; W179-E182 PolarHBondContact O-N 2.92Å; E182-A184 PolarHBondContact O-N 3.31Å; E182-N185 CarbonylContact O-C 3.46Å; E182-N185 PolarHBondContact O-N 3.45Å; E182-N185 VanDerWaalsContact O-N 3.1Å; E182-S186 WeakPolarHBondContact O-CB 3.21Å; E182-S186 PolarHBondContact O-N 3Å; E182-S186 VanDerWaalsContact O-N 3.11Å |
| 183 | L | 94.6 | Very high | 94.2 | Very high | 8 Ų | 8 | 63.3 Ų | 63.3 | 4% | 0.042 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -58.2 | -45.8 | 175.4 | -178.2 | 61.5 | 0 | 0 | 0 | 111.8 | V12 P14 L121 W179 N185 S186 C189 Q191 | V12-L183 HydrophobicContact CG1-CD2 4.36Å; P14-L183 HydrophobicContact CB-CD1 4.34Å; P14-L183 HydrophobicContact CB-CD2 4.27Å; L121-L183 HydrophobicContact CD2-CD2 4Å; L121-L183 HydrophobicContact CD2-CG 4.38Å; W179-L183 HydrophobicContact CE3-CD2 4.25Å; W179-L183 HydrophobicContact CZ3-CD2 3.73Å; W179-L183 WeakPolarHBondContact O-CB 3.39Å; W179-L183 PolarHBondContact O-N 2.85Å; L183-N185 PolarHBondContact O-N 3.43Å; L183-N185 VanDerWaalsContact O-N 3.1Å; L183-S186 PolarHBondContact O-N 3.39Å; L183-C189 HydrophobicContact CD1-CB 3.75Å; L183-C189 VanDerWaalsContact CD1-SG 3.55Å; L183-Q191 HydrophobicContact CD1-CB 4.2Å; L183-Q191 HydrophobicContact CD2-CB 3.83Å; L183-Q191 HydrophobicContact CG-CB 3.96Å |
| 184 | A | 93.2 | Very high | 94.3 | Very high | 52 Ų | 52 | 62.5 Ų | 62.5 | 43% | 0.43 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59 | -24.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114 | L121 K180 K181 E182 | L121-A184 HydrophobicContact CD1-CB 3.47Å; L121-A184 VanDerWaalsContact CD1-CB 3.47Å; K180-A184 PolarHBondContact O-N 2.82Å; K180-A184 VanDerWaalsContact O-N 3.13Å; K181-A184 PolarHBondContact O-N 2.51Å; E182-A184 PolarHBondContact O-N 3.31Å |
| 185 | N | 92.1 | Very high | 94.3 | Very high | 135 Ų | 135 | 59.1 Ų | 59.1 | 72% | 0.722 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.9 | 4.2 | -179.7 | -65.6 | -58.5 | 0 | 0 | 0 | 112.8 | K181 E182 L183 P187 | K181-N185 PolarHBondContact O-N 3.33Å; K181-N185 PolarHBondContact O-ND2 3.26Å; E182-N185 CarbonylContact O-C 3.46Å; E182-N185 PolarHBondContact O-N 3.45Å; E182-N185 VanDerWaalsContact O-N 3.1Å; L183-N185 PolarHBondContact O-N 3.43Å; L183-N185 VanDerWaalsContact O-N 3.1Å; N185-P187 WeakPolarHBondContact O-CD 3.47Å |
| 186 | S | 89.4 | Confident | 94.3 | Very high | 46 Ų | 46 | 59 Ų | 59 | 32% | 0.322 | 33% | 0.333 | S | S | . | . | trans | -99.3 | 107.1 | -177.2 | -172.2 | 0 | 0 | 0 | 0 | 110.3 | E182 L183 D188 C189 | E182-S186 WeakPolarHBondContact O-CB 3.21Å; E182-S186 PolarHBondContact O-N 3Å; E182-S186 VanDerWaalsContact O-N 3.11Å; L183-S186 PolarHBondContact O-N 3.39Å; S186-D188 PolarHBondContact O-N 2.95Å; S186-C189 WeakPolarHBondContact OG-CB 3.46Å; S186-C189 PolarHBondContact OG-N 3.32Å | ||
| 187 | P | 81.2 | Confident | 94.4 | Very high | 121 Ų | 121 | 57.8 Ų | 57.8 | 79% | 0.786 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -23.8 | 179.2 | 27.8 | -33.8 | 0 | 0 | 0 | 112.8 | N185 | N185-P187 WeakPolarHBondContact O-CD 3.47Š|
| 188 | D | 83.9 | Confident | 94.5 | Very high | 152 Ų | 152 | 51.7 Ų | 51.7 | 81% | 0.813 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.6 | -8.3 | -173.4 | -57.2 | -46.6 | 0 | 0 | 0 | 113.4 | S186 | S186-D188 PolarHBondContact O-N 2.95Š|
| 189 | C | 88.4 | Confident | 94.5 | Very high | 28 Ų | 28 | 47.7 Ų | 47.7 | 19% | 0.189 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -106.4 | 116.2 | 179.5 | -164.3 | 0 | 0 | 0 | 0 | 110.2 | L183 S186 | L183-C189 HydrophobicContact CD1-CB 3.75Å; L183-C189 VanDerWaalsContact CD1-SG 3.55Å; S186-C189 WeakPolarHBondContact OG-CB 3.46Å; S186-C189 PolarHBondContact OG-N 3.32Å |
| 190 | P | 94.6 | Very high | 94.4 | Very high | 36 Ų | 36 | 47.3 Ų | 47.3 | 23% | 0.234 | 26% | 0.258 | C | S | . | . | trans | -69.6 | 151.3 | -179.8 | 30.1 | -35 | 0 | 0 | 0 | 111.2 | P14 C15 | P14-P190 CarbonylContact C-O 3.52Å; P14-P190 VanDerWaalsContact C-O 3.23Å; P14-P190 WeakPolarHBondContact CA-O 3.19Å; C15-P190 PolarHBondContact N-O 2.75Å; C15-P190 VanDerWaalsContact N-O 3.17Å | ||
| 191 | Q | 95 | Very high | 94.3 | Very high | 64 Ų | 64 | 46.4 Ų | 46.4 | 30% | 0.299 | 25% | 0.254 | S | S | . | . | trans | -132.6 | 146 | -177.4 | 67.1 | -172.7 | 10.6 | 0 | 0 | 111.4 | C15 L121 L183 | C15-Q191 CarbonylContact O-C 3.56Å; C15-Q191 WeakPolarHBondContact O-CA 3.44Å; L121-Q191 HydrophobicContact CD2-CB 3.97Å; L121-Q191 HydrophobicContact CD2-CG 4.32Å; L183-Q191 HydrophobicContact CD1-CB 4.2Å; L183-Q191 HydrophobicContact CD2-CB 3.83Å; L183-Q191 HydrophobicContact CG-CB 3.96Å | ||
| 192 | M | 98.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 163.4 | 172.1 | 74.7 | 77.5 | 48.7 | 0 | 0 | 111 | V12 L13 C15 V17 Y20 H117 K118 D120 A194 | V12-M192 WeakPolarHBondContact CA-O 3.23Å; L13-M192 HydrophobicContact CB-CG 4.27Å; L13-M192 HydrophobicContact CB-SD 4.04Å; L13-M192 HydrophobicContact CD1-SD 3.78Å; L13-M192 HydrophobicContact CG-SD 4.22Å; L13-M192 PolarHBondContact N-O 2.77Å; L13-M192 PolarHBondContact O-N 2.68Å; C15-M192 WeakPolarHBondContact O-CB 3.25Å; C15-M192 WeakPolarHBondContact O-CG 3.28Å; C15-M192 PolarHBondContact O-N 3.32Å; V17-M192 HydrophobicContact CG2-CB 3.77Å; V17-M192 HydrophobicContact CG2-CE 4.45Å; Y20-M192 HydrophobicContact CD2-SD 4.13Å; Y20-M192 HydrophobicContact CG-SD 4.32Å; H117-M192 HydrophobicContact CB-CE 3.67Å; K118-M192 CarbonylContact O-C 3.53Å; K118-M192 VanDerWaalsContact O-CA 3.29Å; K118-M192 WeakPolarHBondContact O-CA 3.4Å; K118-M192 WeakPolarHBondContact O-CB 3.3Å; D120-M192 CarbonylContact O-C 2.93Å; D120-M192 WeakPolarHBondContact O-CA 3.33Å; M192-A194 HydrophobicContact CE-CB 4.31Å |
| 193 | C | 98.8 | Very high | 94 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 131.1 | 169.2 | -172.4 | 0 | 0 | 0 | 0 | 111.4 | V11 V12 K118 D120 G122 Y195 | V11-C193 WeakPolarHBondContact O-CA 3.48Å; V12-C193 HydrophobicContact CG2-CB 4.38Å; K118-C193 PolarHBondContact N-O 2.85Å; K118-C193 PolarHBondContact O-N 2.8Å; D120-C193 PolarHBondContact O-N 3.45Å; D120-C193 VanDerWaalsContact OD1-CB 3.23Å; D120-C193 WeakPolarHBondContact OD1-CB 3.36Å; G122-C193 WeakPolarHBondContact CA-SG 3.05Å; C193-Y195 HydrophobicContact CB-CD2 4.32Å; C193-Y195 HydrophobicContact CB-CE2 3.78Å |
| 194 | A | 98.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 114 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | V11 T115 M192 K196 | V11-A194 HydrophobicContact CB-CB 4.4Å; V11-A194 PolarHBondContact N-O 2.84Å; V11-A194 PolarHBondContact O-N 2.81Å; T115-A194 HydrophobicContact CG2-CB 4.36Å; M192-A194 HydrophobicContact CE-CB 4.31Å; A194-K196 HydrophobicContact CB-CG 4.45Å |
| 195 | Y | 98.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 95.9 | 175.6 | -64.3 | -89.4 | 0 | 0 | 0 | 109.2 | K8 R10 T115 W116 K118 D120 G122 T123 L124 V127 H128 C193 | K8-Y195 VanDerWaalsContact CE-CD1 3.43Å; R10-Y195 HydrophobicContact CG-CD1 3.93Å; R10-Y195 HydrophobicContact CG-CE1 4.21Å; T115-Y195 VanDerWaalsContact CA-O 3.3Å; T115-Y195 WeakPolarHBondContact CA-O 3.28Å; W116-Y195 PolarHBondContact N-O 2.98Å; W116-Y195 VanDerWaalsContact N-O 3.08Å; W116-Y195 PolarHBondContact O-N 3.27Å; K118-Y195 HydrophobicContact CB-CD2 4.37Å; K118-Y195 HydrophobicContact CB-CE2 3.91Å; K118-Y195 HydrophobicContact CG-CD2 4.07Å; K118-Y195 HydrophobicContact CG-CE2 3.95Å; D120-Y195 WeakPolarHBondContact OD1-CE2 3.2Å; D120-Y195 PolarHBondContact OD1-OH 3.46Å; D120-Y195 PolarHBondContact OD2-OH 2.85Å; G122-Y195 WeakPolarHBondContact CA-OH 3.34Å; G122-Y195 PolarHBondContact N-OH 2.99Å; T123-Y195 PolarHBondContact N-OH 3.01Å; L124-Y195 HydrophobicContact CB-CE1 4.14Å; L124-Y195 WeakPolarHBondContact CB-OH 3.44Å; L124-Y195 HydrophobicContact CD1-CE2 4.48Å; L124-Y195 PolarHBondContact N-OH 3.46Å; L124-Y195 VanDerWaalsContact O-CE1 3.23Å; L124-Y195 WeakPolarHBondContact O-CE1 3.41Å; V127-Y195 HydrophobicContact CG1-CD1 4.25Å; V127-Y195 HydrophobicContact CG1-CD2 4.35Å; V127-Y195 HydrophobicContact CG1-CG 3.88Å; H128-Y195 PolarHBondContact CE1-O 3.22Å; H128-Y195 PolarHBondContact NE2-O 3.48Å; C193-Y195 HydrophobicContact CB-CD2 4.32Å; C193-Y195 HydrophobicContact CB-CE2 3.78Å |
| 196 | K | 98.7 | Very high | 93.1 | Very high | 9 Ų | 9 | 50.1 Ų | 50.1 | 4% | 0.039 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 103.8 | -176.8 | -55 | -167.2 | -178.1 | -55.1 | 0 | 109.9 | K8 C9 Y20 I113 T115 A194 F223 H227 | K8-K196 CarbonylContact C-O 3.44Å; K8-K196 WeakPolarHBondContact CA-O 3.49Å; C9-K196 HydrophobicContact CB-CB 4.17Å; C9-K196 PolarHBondContact N-O 3.04Å; C9-K196 PolarHBondContact O-N 3.35Å; Y20-K196 PolarHBondContact OH-NZ 3.35Å; I113-K196 HydrophobicContact CG2-CB 4.46Å; T115-K196 HydrophobicContact CG2-CG 3.87Å; A194-K196 HydrophobicContact CB-CG 4.45Å; K196-F223 HydrophobicContact CB-CE2 3.99Å; K196-F223 HydrophobicContact CB-CZ 4.29Å; K196-F223 HydrophobicContact CD-CD1 3.88Å; K196-F223 HydrophobicContact CD-CD2 3.96Å; K196-F223 HydrophobicContact CD-CE1 3.78Å; K196-F223 HydrophobicContact CD-CE2 3.84Å; K196-F223 HydrophobicContact CD-CG 3.99Å; K196-F223 HydrophobicContact CD-CZ 3.76Å; K196-H227 WeakPolarHBondContact CE-CE1 3.48Å |
| 197 | L | 98.5 | Very high | 93 | Very high | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 112.9 | 172.9 | -179.8 | 69 | 0 | 0 | 0 | 108.9 | M6 K8 I113 E114 H128 L130 V138 | M6-L197 HydrophobicContact CE-CD1 4.09Å; M6-L197 HydrophobicContact CE-CD2 3.92Å; M6-L197 HydrophobicContact CE-CG 4.22Å; K8-L197 HydrophobicContact CB-CD1 4.21Å; I113-L197 WeakPolarHBondContact CA-O 3.35Å; E114-L197 HydrophobicContact CB-CB 4.46Å; E114-L197 PolarHBondContact N-O 2.9Å; E114-L197 PolarHBondContact O-N 3.15Å; H128-L197 HydrophobicContact CB-CD2 4.05Å; L130-L197 HydrophobicContact CD1-CD1 4.22Å; L130-L197 HydrophobicContact CD1-CD2 3.86Å; L130-L197 HydrophobicContact CD2-CD2 4.05Å; L130-L197 HydrophobicContact CG-CD2 4.26Å; V138-L197 HydrophobicContact CG1-CD1 4.12Å |
| 198 | V | 98.2 | Very high | 93.4 | Very high | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.012 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 124.6 | 177.5 | -172.2 | 0 | 0 | 0 | 0 | 108.4 | M6 E7 I111 K112 I113 I200 E219 F223 | M6-V198 VanDerWaalsContact CA-O 3.31Å; M6-V198 WeakPolarHBondContact CA-O 3.37Å; E7-V198 PolarHBondContact N-O 2.98Å; E7-V198 PolarHBondContact O-N 3.39Å; I111-V198 HydrophobicContact CG2-CG1 4.09Å; K112-V198 CarbonylContact O-C 3.12Å; K112-V198 WeakPolarHBondContact O-CA 3.5Å; I113-V198 HydrophobicContact CG1-CG2 4.43Å; V198-I200 HydrophobicContact CG1-CD1 4.13Å; V198-I200 HydrophobicContact CG1-CG1 3.93Å; V198-E219 HydrophobicContact CG1-CG 4.21Å; V198-F223 HydrophobicContact CG2-CE2 3.73Å; V198-F223 HydrophobicContact CG2-CZ 4.01Å |
| 199 | T | 97.3 | Very high | 93.7 | Very high | 3 Ų | 3 | 43.4 Ų | 43.4 | 2% | 0.018 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 123.6 | 172 | -49.3 | 0 | 0 | 0 | 0 | 108.4 | L4 M6 F110 I111 K112 | L4-T199 HydrophobicContact CB-CG2 4.23Å; L4-T199 HydrophobicContact CD1-CG2 4.11Å; M6-T199 HydrophobicContact CG-CG2 3.9Å; M6-T199 HydrophobicContact SD-CG2 4.44Å; F110-T199 HydrophobicContact CE2-CG2 3.82Å; F110-T199 HydrophobicContact CZ-CG2 4.24Å; I111-T199 WeakPolarHBondContact CA-O 3.37Å; K112-T199 PolarHBondContact N-O 3Å; K112-T199 PolarHBondContact O-N 3.17Å |
| 200 | I | 95.9 | Very high | 93.7 | Very high | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 135.2 | -178.9 | -57.5 | 157.5 | 0 | 0 | 0 | 108.4 | L5 I111 V198 E212 I215 Q216 | L5-I200 PolarHBondContact N-O 3.15Å; L5-I200 PolarHBondContact O-N 2.93Å; I111-I200 HydrophobicContact CG2-CG1 4.35Å; V198-I200 HydrophobicContact CG1-CD1 4.13Å; V198-I200 HydrophobicContact CG1-CG1 3.93Å; I200-E212 HydrophobicContact CG2-CB 4.24Å; I200-E212 HydrophobicContact CG2-CG 3.97Å; I200-I215 HydrophobicContact CD1-CB 4Å; I200-I215 HydrophobicContact CD1-CG2 3.6Å; I200-I215 HydrophobicContact CG1-CG2 3.91Å; I200-I215 HydrophobicContact CG2-CB 4.42Å; I200-I215 HydrophobicContact CG2-CD1 3.93Å; I200-I215 HydrophobicContact CG2-CG2 4.3Å; I200-Q216 HydrophobicContact CD1-CB 4.27Å; I200-Q216 HydrophobicContact CD1-CG 3.34Å |
| 201 | K | 94.7 | Very high | 93.5 | Very high | 57 Ų | 57 | 46.6 Ų | 46.6 | 25% | 0.248 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 124.4 | 165.1 | -176.4 | 179.5 | 178.6 | -169 | 0 | 107.8 | L4 D107 F109 F110 | L4-K201 HydrophobicContact CD2-CB 3.66Å; L4-K201 HydrophobicContact CD2-CD 4.13Å; L4-K201 HydrophobicContact CD2-CG 3.91Å; D107-K201 WeakPolarHBondContact O-CD 3.34Å; D107-K201 WeakPolarHBondContact O-CE 3.39Å; D107-K201 PolarHBondContact O-NZ 2.8Å; F109-K201 VanDerWaalsContact CA-O 3.28Å; F109-K201 WeakPolarHBondContact CA-O 3.29Å; F110-K201 HydrophobicContact CD1-CB 3.57Å; F110-K201 HydrophobicContact CD1-CD 3.71Å; F110-K201 HydrophobicContact CD1-CG 4.25Å; F110-K201 HydrophobicContact CD2-CB 4.36Å; F110-K201 HydrophobicContact CE1-CB 3.39Å; F110-K201 HydrophobicContact CE1-CD 3.35Å; F110-K201 HydrophobicContact CE1-CG 4.01Å; F110-K201 HydrophobicContact CE2-CB 4.19Å; F110-K201 HydrophobicContact CG-CB 4.07Å; F110-K201 HydrophobicContact CZ-CB 3.7Å; F110-K201 HydrophobicContact CZ-CD 4.28Å; F110-K201 PolarHBondContact N-O 2.99Å; F110-K201 PolarHBondContact O-N 3.32Å |
| 202 | F | 92.3 | Very high | 93.3 | Very high | 13 Ų | 13 | 44 Ų | 44 | 6% | 0.057 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 99.7 | 167 | 179 | -89.3 | 0 | 0 | 0 | 109.6 | M105 D108 F109 W204 L207 Q208 V211 E212 | M105-F202 HydrophobicContact CE-CD2 3.51Å; M105-F202 HydrophobicContact CE-CE2 3.44Å; M105-F202 VanDerWaalsContact CE-CE2 3.44Å; M105-F202 HydrophobicContact CE-CG 4.21Å; M105-F202 HydrophobicContact CE-CZ 4.08Å; M105-F202 HydrophobicContact SD-CD2 3.7Å; M105-F202 HydrophobicContact SD-CE2 3.34Å; M105-F202 WeakPolarHBondContact SD-CE2 3.19Å; M105-F202 HydrophobicContact SD-CZ 4.28Å; D108-F202 CarbonylContact O-C 3.6Å; D108-F202 WeakPolarHBondContact O-CA 3.44Å; F109-F202 HydrophobicContact CD2-CB 4.49Å; F109-F202 AromaticContact CD2-CD2 3.89Å; F109-F202 HydrophobicContact CD2-CD2 3.89Å; F202-W204 HydrophobicContact CD1-CB 4.08Å; F202-W204 HydrophobicContact CE1-CB 3.34Å; F202-W204 HydrophobicContact CE1-CG 4.24Å; F202-W204 HydrophobicContact CE2-CE3 4.36Å; F202-W204 HydrophobicContact CZ-CB 3.71Å; F202-W204 HydrophobicContact CZ-CD2 4.25Å; F202-W204 AromaticContact CZ-CE3 3.8Å; F202-W204 HydrophobicContact CZ-CE3 3.8Å; F202-W204 HydrophobicContact CZ-CG 4.26Å; F202-W204 PolarHBondContact O-N 3.06Å; F202-L207 HydrophobicContact CE1-CB 4.04Å; F202-Q208 WeakPolarHBondContact O-CB 3.38Å; F202-Q208 WeakPolarHBondContact O-CG 3.16Å; F202-V211 HydrophobicContact CB-CG1 4.3Å; F202-V211 HydrophobicContact CD1-CB 3.54Å; F202-V211 HydrophobicContact CD1-CG1 3.77Å; F202-V211 HydrophobicContact CD1-CG2 4.05Å; F202-V211 HydrophobicContact CD2-CB 4.33Å; F202-V211 HydrophobicContact CD2-CG1 3.62Å; F202-V211 HydrophobicContact CE1-CB 3.59Å; F202-V211 HydrophobicContact CE1-CG1 3.91Å; F202-V211 HydrophobicContact CE1-CG2 3.53Å; F202-V211 HydrophobicContact CE2-CB 4.38Å; F202-V211 HydrophobicContact CE2-CG1 3.77Å; F202-V211 HydrophobicContact CE2-CG2 4.44Å; F202-V211 HydrophobicContact CG-CB 3.95Å; F202-V211 HydrophobicContact CG-CG1 3.64Å; F202-V211 HydrophobicContact CZ-CB 4.05Å; F202-V211 HydrophobicContact CZ-CG1 3.93Å; F202-V211 HydrophobicContact CZ-CG2 3.79Å; F202-E212 HydrophobicContact CB-CG 3.84Å; F202-E212 PolarHBondContact N-OE1 2.94Å |
| 203 | K | 91.4 | Very high | 93 | Very high | 128 Ų | 128 | 47.8 Ų | 47.8 | 56% | 0.557 | 24% | 0.237 | S | C | * | . | trans | -97.5 | 92.2 | -177.5 | -171.6 | -178.9 | 170.4 | -158.8 | 0 | 110.3 | D108 | D108-K203 HydrophobicContact CB-CB 3.95Å; D108-K203 PolarHBondContact O-N 2.94Å; D108-K203 WeakPolarHBondContact OD1-CD 3.4Å | ||
| 204 | W | 86.3 | Confident | 92.7 | Very high | 78 Ų | 78 | 49.5 Ų | 49.5 | 30% | 0.295 | 25% | 0.245 | S | C | . | . | trans | -137.5 | 125.8 | 172.1 | -164.6 | -51.7 | 0 | 0 | 0 | 109.7 | I77 Y104 M105 F202 G206 L207 Q208 | I77-W204 HydrophobicContact CB-CH2 4.33Å; I77-W204 HydrophobicContact CB-CZ2 4.29Å; I77-W204 WeakPolarHBondContact O-CH2 3.43Å; Y104-W204 HydrophobicContact CE1-CH2 4.2Å; Y104-W204 HydrophobicContact CE1-CZ3 4.04Å; M105-W204 HydrophobicContact CE-CE3 4.15Å; M105-W204 HydrophobicContact SD-CE3 4.35Å; F202-W204 HydrophobicContact CD1-CB 4.08Å; F202-W204 HydrophobicContact CE1-CB 3.34Å; F202-W204 HydrophobicContact CE1-CG 4.24Å; F202-W204 HydrophobicContact CE2-CE3 4.36Å; F202-W204 HydrophobicContact CZ-CB 3.71Å; F202-W204 HydrophobicContact CZ-CD2 4.25Å; F202-W204 AromaticContact CZ-CE3 3.8Å; F202-W204 HydrophobicContact CZ-CE3 3.8Å; F202-W204 HydrophobicContact CZ-CG 4.26Å; F202-W204 PolarHBondContact O-N 3.06Å; W204-G206 PolarHBondContact O-N 3.45Å; W204-L207 HydrophobicContact CB-CB 4.3Å; W204-L207 HydrophobicContact CD2-CD1 4.5Å; W204-L207 HydrophobicContact CG-CB 4.4Å; W204-L207 HydrophobicContact CG-CD1 4.29Å; W204-L207 PolarHBondContact O-N 2.67Å; W204-Q208 PolarHBondContact O-N 3.5Å; W204-Q208 VanDerWaalsContact O-N 3.15Å | ||
| 205 | W | 86.8 | Confident | 92.4 | Very high | 244 Ų | 244 | 50.3 Ų | 50.3 | 92% | 0.924 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | 122.9 | -177.5 | -175.1 | 84.4 | 0 | 0 | 0 | 111.8 | L207 | W205-L207 VanDerWaalsContact C-N 3.31Å; W205-L207 PolarHBondContact O-N 2.82Å |
| 206 | G | 87.1 | Confident | 92.1 | Very high | 70 Ų | 70 | 51.1 Ų | 51.1 | 72% | 0.722 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.7 | -4.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | W204 | W204-G206 PolarHBondContact O-N 3.45Š|
| 207 | L | 87.6 | Confident | 91.8 | Very high | 38 Ų | 38 | 57.7 Ų | 57.7 | 20% | 0.199 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -126.2 | -10.7 | -176.2 | -65.5 | 177.5 | 0 | 0 | 0 | 114.9 | I77 F202 W204 W205 S209 K210 V211 | I77-L207 HydrophobicContact CD1-CD1 3.38Å; I77-L207 HydrophobicContact CG2-CD1 4.26Å; F202-L207 HydrophobicContact CE1-CB 4.04Å; W204-L207 HydrophobicContact CB-CB 4.3Å; W204-L207 HydrophobicContact CD2-CD1 4.5Å; W204-L207 HydrophobicContact CG-CB 4.4Å; W204-L207 HydrophobicContact CG-CD1 4.29Å; W204-L207 PolarHBondContact O-N 2.67Å; W205-L207 VanDerWaalsContact C-N 3.31Å; W205-L207 PolarHBondContact O-N 2.82Å; L207-S209 PolarHBondContact O-N 2.79Å; L207-K210 PolarHBondContact O-N 2.88Å; L207-V211 HydrophobicContact CB-CG2 4.36Å; L207-V211 WeakPolarHBondContact O-CG2 3.42Å; L207-V211 PolarHBondContact O-N 2.97Å |
| 208 | Q | 89.6 | Confident | 91.5 | Very high | 56 Ų | 56 | 59.2 Ų | 59.2 | 26% | 0.262 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -43.9 | -71 | -177 | 177.3 | 163.3 | -10.8 | 0 | 0 | 113.5 | D3 F202 W204 K210 V211 E212 | D3-Q208 PolarHBondContact O-NE2 2.85Å; F202-Q208 WeakPolarHBondContact O-CB 3.38Å; F202-Q208 WeakPolarHBondContact O-CG 3.16Å; W204-Q208 PolarHBondContact O-N 3.5Å; W204-Q208 VanDerWaalsContact O-N 3.15Å; Q208-K210 PolarHBondContact O-N 2.7Å; Q208-K210 VanDerWaalsContact O-N 3.16Å; Q208-V211 PolarHBondContact O-N 3.13Å; Q208-V211 VanDerWaalsContact O-N 3.15Å; Q208-E212 VanDerWaalsContact CG-CD 3.5Å; Q208-E212 HydrophobicContact CG-CG 4.27Å; Q208-E212 VanDerWaalsContact CG-OE2 3.27Å; Q208-E212 WeakPolarHBondContact CG-OE2 3.41Å; Q208-E212 PolarHBondContact NE2-OE1 2.9Å; Q208-E212 PolarHBondContact NE2-OE2 2.9Å; Q208-E212 WeakPolarHBondContact O-CG 3.26Å; Q208-E212 PolarHBondContact O-N 2.76Å |
| 209 | S | 90.1 | Very high | 91.4 | Very high | 83 Ų | 83 | 60.2 Ų | 60.2 | 58% | 0.58 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -61.4 | -32.4 | -174.1 | -46.8 | 0 | 0 | 0 | 0 | 113 | L207 N213 | L207-S209 PolarHBondContact O-N 2.79Å; S209-N213 VanDerWaalsContact O-CB 3.3Å; S209-N213 WeakPolarHBondContact O-CB 3.34Å; S209-N213 VanDerWaalsContact O-CG 3.26Å; S209-N213 PolarHBondContact O-N 3.07Å; S209-N213 VanDerWaalsContact O-N 3.16Å; S209-N213 PolarHBondContact O-ND2 3.41Å |
| 210 | K | 89.6 | Confident | 91.4 | Very high | 122 Ų | 122 | 63.7 Ų | 63.7 | 53% | 0.53 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66.6 | -45.4 | 179 | -176.7 | 176.6 | 178.7 | 178.2 | 0 | 111.1 | L207 Q208 F214 | L207-K210 PolarHBondContact O-N 2.88Å; Q208-K210 PolarHBondContact O-N 2.7Å; Q208-K210 VanDerWaalsContact O-N 3.16Å; K210-F214 WeakPolarHBondContact O-CB 3.3Å; K210-F214 PolarHBondContact O-N 2.87Å; K210-F214 VanDerWaalsContact O-N 3.1Å |
| 211 | V | 89.4 | Confident | 91.4 | Very high | 9 Ų | 9 | 65.1 Ų | 65.1 | 6% | 0.055 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -75.7 | -40.4 | -177.9 | 176.1 | 0 | 0 | 0 | 0 | 111.3 | F73 F202 L207 Q208 N213 F214 I215 | F73-V211 HydrophobicContact CE2-CG2 4.11Å; F202-V211 HydrophobicContact CB-CG1 4.3Å; F202-V211 HydrophobicContact CD1-CB 3.54Å; F202-V211 HydrophobicContact CD1-CG1 3.77Å; F202-V211 HydrophobicContact CD1-CG2 4.05Å; F202-V211 HydrophobicContact CD2-CB 4.33Å; F202-V211 HydrophobicContact CD2-CG1 3.62Å; F202-V211 HydrophobicContact CE1-CB 3.59Å; F202-V211 HydrophobicContact CE1-CG1 3.91Å; F202-V211 HydrophobicContact CE1-CG2 3.53Å; F202-V211 HydrophobicContact CE2-CB 4.38Å; F202-V211 HydrophobicContact CE2-CG1 3.77Å; F202-V211 HydrophobicContact CE2-CG2 4.44Å; F202-V211 HydrophobicContact CG-CB 3.95Å; F202-V211 HydrophobicContact CG-CG1 3.64Å; F202-V211 HydrophobicContact CZ-CB 4.05Å; F202-V211 HydrophobicContact CZ-CG1 3.93Å; F202-V211 HydrophobicContact CZ-CG2 3.79Å; L207-V211 HydrophobicContact CB-CG2 4.36Å; L207-V211 WeakPolarHBondContact O-CG2 3.42Å; L207-V211 PolarHBondContact O-N 2.97Å; Q208-V211 PolarHBondContact O-N 3.13Å; Q208-V211 VanDerWaalsContact O-N 3.15Å; V211-N213 PolarHBondContact O-N 2.84Å; V211-F214 WeakPolarHBondContact O-CB 3.35Å; V211-F214 PolarHBondContact O-N 2.93Å; V211-I215 HydrophobicContact CG1-CD1 3.77Å; V211-I215 HydrophobicContact CG1-CG1 4.28Å; V211-I215 VanDerWaalsContact O-CG1 3.32Å; V211-I215 WeakPolarHBondContact O-CG1 3.49Å; V211-I215 PolarHBondContact O-N 2.98Å |
| 212 | E | 92.1 | Very high | 91.4 | Very high | 11 Ų | 11 | 66.8 Ų | 66.8 | 5% | 0.051 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.3 | -46.5 | 177.8 | -65.2 | 180 | 151.2 | 0 | 0 | 111.2 | L5 I200 F202 Q208 F214 I215 Q216 | L5-E212 HydrophobicContact CB-CB 4.26Å; L5-E212 HydrophobicContact CD2-CB 3.54Å; I200-E212 HydrophobicContact CG2-CB 4.24Å; I200-E212 HydrophobicContact CG2-CG 3.97Å; F202-E212 HydrophobicContact CB-CG 3.84Å; F202-E212 PolarHBondContact N-OE1 2.94Å; Q208-E212 VanDerWaalsContact CG-CD 3.5Å; Q208-E212 HydrophobicContact CG-CG 4.27Å; Q208-E212 VanDerWaalsContact CG-OE2 3.27Å; Q208-E212 WeakPolarHBondContact CG-OE2 3.41Å; Q208-E212 PolarHBondContact NE2-OE1 2.9Å; Q208-E212 PolarHBondContact NE2-OE2 2.9Å; Q208-E212 WeakPolarHBondContact O-CG 3.26Å; Q208-E212 PolarHBondContact O-N 2.76Å; E212-F214 VanDerWaalsContact C-N 3.33Å; E212-F214 PolarHBondContact O-N 2.93Å; E212-I215 PolarHBondContact O-N 2.58Å; E212-Q216 PolarHBondContact O-N 2.82Å |
| 213 | N | 91.6 | Very high | 91.7 | Very high | 78 Ų | 78 | 67 Ų | 67 | 42% | 0.417 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.1 | -36.1 | 174.3 | -74.5 | -48 | 0 | 0 | 0 | 112.7 | S209 V211 K217 | S209-N213 VanDerWaalsContact O-CB 3.3Å; S209-N213 WeakPolarHBondContact O-CB 3.34Å; S209-N213 VanDerWaalsContact O-CG 3.26Å; S209-N213 PolarHBondContact O-N 3.07Å; S209-N213 VanDerWaalsContact O-N 3.16Å; S209-N213 PolarHBondContact O-ND2 3.41Å; V211-N213 PolarHBondContact O-N 2.84Å; N213-K217 WeakPolarHBondContact O-CG 3.33Å; N213-K217 PolarHBondContact O-N 2.83Å; N213-K217 VanDerWaalsContact O-N 3.15Å |
| 214 | F | 91.1 | Very high | 92 | Very high | 37 Ų | 37 | 61 Ų | 61 | 16% | 0.162 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63 | -46.9 | 175.1 | 168.6 | -98.9 | 0 | 0 | 0 | 111.1 | P71 F73 K210 V211 E212 Q216 K217 Q218 A270 | P71-F214 VanDerWaalsContact CD-CZ 3.42Å; P71-F214 HydrophobicContact CG-CD2 4.18Å; P71-F214 HydrophobicContact CG-CE1 3.91Å; P71-F214 HydrophobicContact CG-CE2 3.35Å; P71-F214 HydrophobicContact CG-CZ 3.2Å; F73-F214 HydrophobicContact CZ-CG 4.25Å; K210-F214 WeakPolarHBondContact O-CB 3.3Å; K210-F214 PolarHBondContact O-N 2.87Å; K210-F214 VanDerWaalsContact O-N 3.1Å; V211-F214 WeakPolarHBondContact O-CB 3.35Å; V211-F214 PolarHBondContact O-N 2.93Å; E212-F214 VanDerWaalsContact C-N 3.33Å; E212-F214 PolarHBondContact O-N 2.93Å; F214-Q216 PolarHBondContact O-N 2.85Å; F214-K217 PolarHBondContact O-N 2.79Å; F214-Q218 HydrophobicContact CD1-CG 4.39Å; F214-Q218 HydrophobicContact CD2-CG 4.37Å; F214-Q218 HydrophobicContact CE1-CG 3.8Å; F214-Q218 HydrophobicContact CE2-CG 3.77Å; F214-Q218 HydrophobicContact CZ-CG 3.43Å; F214-Q218 VanDerWaalsContact CZ-CG 3.43Å; F214-Q218 WeakPolarHBondContact O-CG 3.4Å; F214-Q218 PolarHBondContact O-N 2.83Å; F214-A270 HydrophobicContact CE2-CB 4.31Å; F214-A270 HydrophobicContact CZ-CB 3.93Å |
| 215 | I | 92.4 | Very high | 92.6 | Very high | 17 Ų | 17 | 58.2 Ų | 58.2 | 9% | 0.087 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.3 | -46.3 | 178 | -68.4 | 164.8 | 0 | 0 | 0 | 110.3 | F109 I111 I200 V211 E212 K217 Q218 E219 | F109-I215 HydrophobicContact CE2-CD1 3.87Å; I111-I215 HydrophobicContact CD1-CD1 4.33Å; I111-I215 HydrophobicContact CD1-CG2 3.47Å; I111-I215 VanDerWaalsContact CD1-CG2 3.47Å; I111-I215 HydrophobicContact CG1-CG2 3.92Å; I200-I215 HydrophobicContact CD1-CB 4Å; I200-I215 HydrophobicContact CD1-CG2 3.6Å; I200-I215 HydrophobicContact CG1-CG2 3.91Å; I200-I215 HydrophobicContact CG2-CB 4.42Å; I200-I215 HydrophobicContact CG2-CD1 3.93Å; I200-I215 HydrophobicContact CG2-CG2 4.3Å; V211-I215 HydrophobicContact CG1-CD1 3.77Å; V211-I215 HydrophobicContact CG1-CG1 4.28Å; V211-I215 VanDerWaalsContact O-CG1 3.32Å; V211-I215 WeakPolarHBondContact O-CG1 3.49Å; V211-I215 PolarHBondContact O-N 2.98Å; E212-I215 PolarHBondContact O-N 2.58Å; I215-K217 VanDerWaalsContact C-N 3.31Å; I215-K217 PolarHBondContact O-N 3.14Å; I215-Q218 PolarHBondContact O-N 3Å; I215-Q218 VanDerWaalsContact O-N 3.08Å; I215-E219 HydrophobicContact CG2-CG 4.19Å; I215-E219 WeakPolarHBondContact O-CG 3.43Å; I215-E219 PolarHBondContact O-N 2.8Å |
| 216 | Q | 92.8 | Very high | 93.2 | Very high | 16 Ų | 16 | 47.9 Ų | 47.9 | 8% | 0.075 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -54.3 | -47.2 | 176 | -74.7 | -173.6 | -39.8 | 0 | 0 | 112.5 | L5 I200 E212 F214 Q218 E219 K220 | L5-Q216 HydrophobicContact CD2-CG 3.82Å; L5-Q216 HydrophobicContact CG-CG 4.34Å; I200-Q216 HydrophobicContact CD1-CB 4.27Å; I200-Q216 HydrophobicContact CD1-CG 3.34Å; E212-Q216 PolarHBondContact O-N 2.82Å; F214-Q216 PolarHBondContact O-N 2.85Å; Q216-Q218 VanDerWaalsContact C-N 3.31Å; Q216-Q218 PolarHBondContact O-N 2.95Å; Q216-E219 PolarHBondContact O-N 2.83Å; Q216-K220 PolarHBondContact O-N 3.08Å |
| 217 | K | 93.3 | Very high | 93.7 | Very high | 148 Ų | 148 | 44.5 Ų | 44.5 | 64% | 0.643 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -60.6 | -40.8 | 177.6 | -72 | 178.9 | -179.6 | -173.8 | 0 | 111.8 | N213 F214 I215 R221 | N213-K217 WeakPolarHBondContact O-CG 3.33Å; N213-K217 PolarHBondContact O-N 2.83Å; N213-K217 VanDerWaalsContact O-N 3.15Å; F214-K217 PolarHBondContact O-N 2.79Å; I215-K217 VanDerWaalsContact C-N 3.31Å; I215-K217 PolarHBondContact O-N 3.14Å; K217-R221 WeakPolarHBondContact O-CB 3.45Å; K217-R221 PolarHBondContact O-N 3.39Å |
| 218 | Q | 93.1 | Very high | 94.3 | Very high | 33 Ų | 33 | 43 Ų | 43 | 15% | 0.154 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.8 | -42 | 176.5 | -63.1 | -45.7 | -64.9 | 0 | 0 | 112.1 | F214 I215 Q216 K220 R221 I222 | F214-Q218 HydrophobicContact CD1-CG 4.39Å; F214-Q218 HydrophobicContact CD2-CG 4.37Å; F214-Q218 HydrophobicContact CE1-CG 3.8Å; F214-Q218 HydrophobicContact CE2-CG 3.77Å; F214-Q218 HydrophobicContact CZ-CG 3.43Å; F214-Q218 VanDerWaalsContact CZ-CG 3.43Å; F214-Q218 WeakPolarHBondContact O-CG 3.4Å; F214-Q218 PolarHBondContact O-N 2.83Å; I215-Q218 PolarHBondContact O-N 3Å; I215-Q218 VanDerWaalsContact O-N 3.08Å; Q216-Q218 VanDerWaalsContact C-N 3.31Å; Q216-Q218 PolarHBondContact O-N 2.95Å; Q218-K220 PolarHBondContact O-N 2.97Å; Q218-R221 WeakPolarHBondContact O-CB 3.41Å; Q218-R221 PolarHBondContact O-N 3.03Å; Q218-I222 WeakPolarHBondContact O-CB 3.3Å; Q218-I222 WeakPolarHBondContact O-CG1 3.46Å; Q218-I222 PolarHBondContact O-N 3.14Å |
| 219 | E | 95.3 | Very high | 94.7 | Very high | 22 Ų | 22 | 41.4 Ų | 41.4 | 10% | 0.103 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.3 | -45.4 | 175.7 | -71.4 | -65.7 | 162.2 | 0 | 0 | 111.4 | I113 V198 I215 Q216 R221 I222 F223 | I113-E219 WeakPolarHBondContact CD1-OE2 3.32Å; V198-E219 HydrophobicContact CG1-CG 4.21Å; I215-E219 HydrophobicContact CG2-CG 4.19Å; I215-E219 WeakPolarHBondContact O-CG 3.43Å; I215-E219 PolarHBondContact O-N 2.8Å; Q216-E219 PolarHBondContact O-N 2.83Å; E219-R221 PolarHBondContact O-N 2.82Å; E219-I222 PolarHBondContact O-N 3.01Å; E219-F223 HydrophobicContact CB-CE2 4.35Å; E219-F223 HydrophobicContact CB-CZ 4.46Å; E219-F223 WeakPolarHBondContact O-CB 3.47Å; E219-F223 WeakPolarHBondContact O-CD2 3.46Å; E219-F223 WeakPolarHBondContact O-CG 3.5Å; E219-F223 PolarHBondContact O-N 2.88Å; E219-F223 WeakPolarHBondContact OE2-CZ 3.38Å |
| 220 | K | 96.4 | Very high | 95.1 | Very high | 77 Ų | 77 | 37.5 Ų | 37.5 | 34% | 0.335 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -60 | -44.4 | 174.1 | -175.3 | -176.6 | 178.8 | 179.5 | 0 | 112 | V141 I143 Q216 Q218 F223 T224 | V141-K220 HydrophobicContact CG1-CD 3.95Å; V141-K220 HydrophobicContact CG1-CG 4.38Å; I143-K220 HydrophobicContact CD1-CG 4.35Å; Q216-K220 PolarHBondContact O-N 3.08Å; Q218-K220 PolarHBondContact O-N 2.97Å; K220-F223 PolarHBondContact O-N 3.08Å; K220-T224 WeakPolarHBondContact O-CB 3.47Å; K220-T224 PolarHBondContact O-N 2.84Å; K220-T224 PolarHBondContact O-OG1 2.81Å |
| 221 | R | 96.1 | Very high | 95.5 | Very high | 31 Ų | 31 | 32 Ų | 32 | 12% | 0.117 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.8 | -47.5 | 176.4 | -177.7 | -176.4 | -179.8 | -172.3 | 4.6 | 111.2 | D155 K217 Q218 E219 T224 N225 S269 | D155-R221 VanDerWaalsContact CG-NH2 3.35Å; D155-R221 IonicContact OD1-CZ 2.95Å; D155-R221 IonicContact OD1-NE 3.55Å; D155-R221 IonicContact OD1-NH2 2.85Å; D155-R221 PolarHBondContact OD1-NH2 2.73Å; D155-R221 WeakPolarHBondContact OD2-CG 3.35Å; D155-R221 IonicContact OD2-CZ 2.67Å; D155-R221 IonicContact OD2-NE 2.71Å; D155-R221 PolarHBondContact OD2-NE 3.24Å; D155-R221 IonicContact OD2-NH2 3.74Å; D155-R221 PolarHBondContact OD2-NH2 3.36Å; K217-R221 WeakPolarHBondContact O-CB 3.45Å; K217-R221 PolarHBondContact O-N 3.39Å; Q218-R221 WeakPolarHBondContact O-CB 3.41Å; Q218-R221 PolarHBondContact O-N 3.03Å; E219-R221 PolarHBondContact O-N 2.82Å; R221-T224 PolarHBondContact O-N 2.97Å; R221-N225 PolarHBondContact O-N 3.46Å; R221-N225 PolarHBondContact O-ND2 3.15Å; R221-S269 PolarHBondContact NH1-O 3.21Å |
| 222 | I | 95.8 | Very high | 96 | Very high | 92 Ų | 92 | 32 Ų | 32 | 47% | 0.472 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -59.1 | -51 | 176.8 | -70.9 | 164.1 | 0 | 0 | 0 | 110.2 | Q218 E219 T224 N225 F226 | Q218-I222 WeakPolarHBondContact O-CB 3.3Å; Q218-I222 WeakPolarHBondContact O-CG1 3.46Å; Q218-I222 PolarHBondContact O-N 3.14Å; E219-I222 PolarHBondContact O-N 3.01Å; I222-T224 VanDerWaalsContact C-N 3.31Å; I222-T224 PolarHBondContact O-N 3.21Å; I222-N225 PolarHBondContact O-N 3.19Å; I222-F226 WeakPolarHBondContact O-CB 3.3Å; I222-F226 PolarHBondContact O-N 3.34Å |
| 223 | F | 98.2 | Very high | 96.3 | Very high | 16 Ų | 16 | 32.2 Ų | 32.2 | 7% | 0.07 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.7 | -39.5 | 178.7 | -63.8 | -20.2 | 0 | 0 | 0 | 111.9 | C9 I113 I143 K196 V198 E219 K220 H227 | C9-F223 HydrophobicContact CB-CD2 3.92Å; C9-F223 HydrophobicContact CB-CE2 4.17Å; I113-F223 HydrophobicContact CD1-CE1 4.42Å; I113-F223 HydrophobicContact CD1-CZ 4.12Å; I113-F223 HydrophobicContact CG2-CZ 4.18Å; I143-F223 HydrophobicContact CD1-CB 3.43Å; I143-F223 VanDerWaalsContact CD1-CB 3.43Å; I143-F223 HydrophobicContact CD1-CD2 4.16Å; I143-F223 HydrophobicContact CD1-CG 4.33Å; K196-F223 HydrophobicContact CB-CE2 3.99Å; K196-F223 HydrophobicContact CB-CZ 4.29Å; K196-F223 HydrophobicContact CD-CD1 3.88Å; K196-F223 HydrophobicContact CD-CD2 3.96Å; K196-F223 HydrophobicContact CD-CE1 3.78Å; K196-F223 HydrophobicContact CD-CE2 3.84Å; K196-F223 HydrophobicContact CD-CG 3.99Å; K196-F223 HydrophobicContact CD-CZ 3.76Å; V198-F223 HydrophobicContact CG2-CE2 3.73Å; V198-F223 HydrophobicContact CG2-CZ 4.01Å; E219-F223 HydrophobicContact CB-CE2 4.35Å; E219-F223 HydrophobicContact CB-CZ 4.46Å; E219-F223 WeakPolarHBondContact O-CB 3.47Å; E219-F223 WeakPolarHBondContact O-CD2 3.46Å; E219-F223 WeakPolarHBondContact O-CG 3.5Å; E219-F223 PolarHBondContact O-N 2.88Å; E219-F223 WeakPolarHBondContact OE2-CZ 3.38Å; K220-F223 PolarHBondContact O-N 3.08Å; F223-H227 PolarHBondContact O-N 2.92Å; F223-H227 VanDerWaalsContact O-N 3.13Å; F223-H227 PolarHBondContact O-ND1 2.8Å |
| 224 | T | 98.5 | Very high | 96.6 | Very high | 2 Ų | 2 | 28.6 Ų | 28.6 | 1% | 0.012 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.3 | -53.4 | 178.7 | -56.7 | 0 | 0 | 0 | 0 | 110.9 | I143 Q150 V151 K220 R221 I222 R228 | I143-T224 HydrophobicContact CG2-CG2 4.38Å; Q150-T224 HydrophobicContact CB-CG2 4.33Å; V151-T224 HydrophobicContact CG2-CG2 4.14Å; K220-T224 WeakPolarHBondContact O-CB 3.47Å; K220-T224 PolarHBondContact O-N 2.84Å; K220-T224 PolarHBondContact O-OG1 2.81Å; R221-T224 PolarHBondContact O-N 2.97Å; I222-T224 VanDerWaalsContact C-N 3.31Å; I222-T224 PolarHBondContact O-N 3.21Å; T224-R228 VanDerWaalsContact O-CG 3.25Å; T224-R228 WeakPolarHBondContact O-CG 3.35Å; T224-R228 PolarHBondContact O-N 2.64Å |
| 225 | N | 98.1 | Very high | 97 | Very high | 20 Ų | 20 | 28.3 Ų | 28.3 | 11% | 0.107 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -66.5 | -43.6 | -178 | -64.9 | -18.5 | 0 | 0 | 0 | 111.7 | D155 R221 I222 H227 R228 Q229 | D155-N225 VanDerWaalsContact CG-ND2 3.27Å; D155-N225 PolarHBondContact OD2-ND2 3.49Å; R221-N225 PolarHBondContact O-N 3.46Å; R221-N225 PolarHBondContact O-ND2 3.15Å; I222-N225 PolarHBondContact O-N 3.19Å; N225-H227 PolarHBondContact O-N 2.88Å; N225-R228 PolarHBondContact O-N 3.29Å; N225-Q229 WeakPolarHBondContact O-CB 3.38Å; N225-Q229 WeakPolarHBondContact O-CG 3.43Å; N225-Q229 PolarHBondContact O-N 3.26Å |
| 226 | F | 98.4 | Very high | 97.3 | Very high | 27 Ų | 27 | 32.9 Ų | 32.9 | 12% | 0.118 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -58.2 | -46.8 | 179.7 | 176.9 | -94.6 | 0 | 0 | 0 | 112.1 | Q24 V28 I222 Q229 L230 | Q24-F226 HydrophobicContact CG-CE1 4.33Å; Q24-F226 HydrophobicContact CG-CZ 4.04Å; V28-F226 HydrophobicContact CG2-CE2 3.73Å; V28-F226 HydrophobicContact CG2-CZ 3.86Å; I222-F226 WeakPolarHBondContact O-CB 3.3Å; I222-F226 PolarHBondContact O-N 3.34Å; F226-Q229 PolarHBondContact O-N 3.01Å; F226-L230 HydrophobicContact CE1-CD1 3.82Å; F226-L230 HydrophobicContact CZ-CD1 4.24Å; F226-L230 WeakPolarHBondContact O-CB 3.49Å; F226-L230 PolarHBondContact O-N 2.87Å |
| 227 | H | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -76.7 | -27 | -177 | -66.6 | 96.3 | 0 | 0 | 0 | 113.1 | V11 L13 Y20 I145 K196 F223 N225 F231 | V11-H227 HydrophobicContact CG1-CB 4Å; L13-H227 HydrophobicContact CD2-CB 4.09Å; Y20-H227 AromaticContact CE2-CD2 3.83Å; Y20-H227 AromaticContact CE2-NE2 3.89Å; Y20-H227 AromaticContact CZ-NE2 3.8Å; Y20-H227 PolarHBondContact OH-NE2 3.18Å; I145-H227 HydrophobicContact CG2-CB 3.61Å; K196-H227 WeakPolarHBondContact CE-CE1 3.48Å; F223-H227 PolarHBondContact O-N 2.92Å; F223-H227 VanDerWaalsContact O-N 3.13Å; F223-H227 PolarHBondContact O-ND1 2.8Å; N225-H227 PolarHBondContact O-N 2.88Å; H227-F231 PolarHBondContact O-N 3.08Å; H227-F231 VanDerWaalsContact O-N 3.12Å |
| 228 | R | 98.8 | Very high | 97.8 | Very high | 6 Ų | 6 | 26.8 Ų | 26.8 | 2% | 0.023 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -62.7 | -49 | 168.9 | -74.8 | 173.5 | 59.6 | 86.4 | -3.9 | 111.2 | I145 E160 D161 P162 T224 N225 F231 C232 | I145-R228 HydrophobicContact CB-CG 3.97Å; I145-R228 HydrophobicContact CG2-CG 4.43Å; I145-R228 VanDerWaalsContact O-CG 3.32Å; I145-R228 WeakPolarHBondContact O-CG 3.43Å; I145-R228 PolarHBondContact O-NH1 2.99Å; E160-R228 PolarHBondContact O-NE 2.99Å; E160-R228 PolarHBondContact O-NH2 2.86Å; D161-R228 VanDerWaalsContact CA-NH2 3.27Å; D161-R228 IonicContact OD1-CZ 2.91Å; D161-R228 IonicContact OD1-NH1 3.41Å; D161-R228 PolarHBondContact OD1-NH1 3.47Å; D161-R228 IonicContact OD1-NH2 3.9Å; D161-R228 PolarHBondContact OD1-NH2 2.89Å; D161-R228 IonicContact OD2-NH2 2.72Å; P162-R228 HydrophobicContact CG-CB 4.08Å; P162-R228 HydrophobicContact CG-CG 4Å; T224-R228 VanDerWaalsContact O-CG 3.25Å; T224-R228 WeakPolarHBondContact O-CG 3.35Å; T224-R228 PolarHBondContact O-N 2.64Å; N225-R228 PolarHBondContact O-N 3.29Å; R228-F231 PolarHBondContact O-N 3.45Å; R228-C232 PolarHBondContact O-N 3.14Å; R228-C232 PolarHBondContact O-SG 3.44Å |
| 229 | Q | 98.6 | Very high | 98 | Very high | 22 Ų | 22 | 30.5 Ų | 30.5 | 10% | 0.103 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.4 | -47.5 | 175.1 | -74.7 | 171.2 | -1.3 | 0 | 0 | 111.8 | E160 N225 F226 F231 C232 W233 | E160-Q229 HydrophobicContact CB-CG 4.17Å; E160-Q229 HydrophobicContact CG-CG 3.93Å; E160-Q229 PolarHBondContact OE1-NE2 3.38Å; E160-Q229 WeakPolarHBondContact OE2-CG 3.45Å; E160-Q229 PolarHBondContact OE2-NE2 2.89Å; N225-Q229 WeakPolarHBondContact O-CB 3.38Å; N225-Q229 WeakPolarHBondContact O-CG 3.43Å; N225-Q229 PolarHBondContact O-N 3.26Å; F226-Q229 PolarHBondContact O-N 3.01Å; Q229-F231 VanDerWaalsContact C-N 3.28Å; Q229-F231 PolarHBondContact O-N 2.95Å; Q229-C232 PolarHBondContact O-N 2.85Å; Q229-C232 VanDerWaalsContact O-N 3.15Å; Q229-W233 HydrophobicContact CB-CD2 4.17Å; Q229-W233 HydrophobicContact CB-CE3 4.05Å; Q229-W233 HydrophobicContact CB-CH2 3.7Å; Q229-W233 HydrophobicContact CB-CZ2 3.81Å; Q229-W233 HydrophobicContact CB-CZ3 3.82Å; Q229-W233 HydrophobicContact CG-CH2 3.93Å; Q229-W233 HydrophobicContact CG-CZ2 3.82Å; Q229-W233 WeakPolarHBondContact O-CB 3.39Å; Q229-W233 PolarHBondContact O-N 3.39Å |
| 230 | L | 98.7 | Very high | 98.1 | Very high | 2 Ų | 2 | 31.5 Ų | 31.5 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -52.9 | -46.7 | 177.6 | -177.7 | 154.9 | 0 | 0 | 0 | 111.6 | Y20 Q24 S27 F226 W233 I234 W237 | Y20-L230 HydrophobicContact CD2-CD1 4.08Å; Y20-L230 HydrophobicContact CD2-CD2 4.46Å; Y20-L230 HydrophobicContact CE2-CD1 3.69Å; Q24-L230 HydrophobicContact CB-CD1 4.45Å; S27-L230 WeakPolarHBondContact OG-CA 3.15Å; F226-L230 HydrophobicContact CE1-CD1 3.82Å; F226-L230 HydrophobicContact CZ-CD1 4.24Å; F226-L230 WeakPolarHBondContact O-CB 3.49Å; F226-L230 PolarHBondContact O-N 2.87Å; L230-W233 PolarHBondContact O-N 3.01Å; L230-I234 PolarHBondContact O-N 3.02Å; L230-W237 HydrophobicContact CD2-CZ2 3.85Å; L230-W237 HydrophobicContact CG-CZ2 4.45Å; L230-W237 PolarHBondContact O-NE1 2.98Å |
| 231 | F | 98.7 | Very high | 98.2 | Very high | 5 Ų | 5 | 31.1 Ų | 31.1 | 2% | 0.022 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -67.4 | -46.6 | 177.6 | 179.8 | -102.8 | 0 | 0 | 0 | 112.3 | P14 I145 P162 F165 R172 L175 H227 R228 Q229 W233 I234 | P14-F231 HydrophobicContact CB-CE2 4.39Å; P14-F231 HydrophobicContact CG-CD2 3.55Å; P14-F231 HydrophobicContact CG-CE2 3.32Å; P14-F231 HydrophobicContact CG-CZ 4.19Å; I145-F231 HydrophobicContact CD1-CB 4.02Å; I145-F231 HydrophobicContact CD1-CG 4.26Å; P162-F231 HydrophobicContact CB-CD1 3.51Å; P162-F231 HydrophobicContact CB-CE1 3.92Å; P162-F231 HydrophobicContact CB-CG 4.44Å; P162-F231 HydrophobicContact CG-CB 4.43Å; P162-F231 HydrophobicContact CG-CD1 3.89Å; F165-F231 HydrophobicContact CD1-CD1 4.04Å; F165-F231 AromaticContact CD1-CE1 3.76Å; F165-F231 HydrophobicContact CD1-CE1 3.76Å; F165-F231 HydrophobicContact CD1-CZ 4.45Å; F165-F231 HydrophobicContact CE1-CE1 4.44Å; R172-F231 HydrophobicContact CB-CE2 4.18Å; R172-F231 HydrophobicContact CB-CZ 4.32Å; L175-F231 HydrophobicContact CD1-CD1 4.21Å; L175-F231 HydrophobicContact CD1-CE1 3.98Å; L175-F231 HydrophobicContact CD1-CZ 4.14Å; L175-F231 HydrophobicContact CD2-CE1 4.37Å; L175-F231 HydrophobicContact CD2-CZ 3.94Å; L175-F231 HydrophobicContact CG-CE1 3.84Å; L175-F231 HydrophobicContact CG-CZ 3.93Å; H227-F231 PolarHBondContact O-N 3.08Å; H227-F231 VanDerWaalsContact O-N 3.12Å; R228-F231 PolarHBondContact O-N 3.45Å; Q229-F231 VanDerWaalsContact C-N 3.28Å; Q229-F231 PolarHBondContact O-N 2.95Å; F231-W233 PolarHBondContact O-N 3.41Å; F231-I234 VanDerWaalsContact O-CB 3.28Å; F231-I234 WeakPolarHBondContact O-CB 3.47Å; F231-I234 VanDerWaalsContact O-CG2 3.24Å; F231-I234 WeakPolarHBondContact O-CG2 3.29Å; F231-I234 PolarHBondContact O-N 2.76Å |
| 232 | C | 98.8 | Very high | 98.1 | Very high | 9 Ų | 9 | 32.4 Ų | 32.4 | 6% | 0.061 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67.2 | -18.3 | -179.9 | -60.8 | 0 | 0 | 0 | 0 | 113.1 | D161 F165 R228 Q229 | D161-C232 VanDerWaalsContact C-SG 3.55Å; F165-C232 HydrophobicContact CB-CB 4.45Å; F165-C232 HydrophobicContact CD1-CB 4.44Å; F165-C232 HydrophobicContact CD2-CB 4.36Å; F165-C232 VanDerWaalsContact CE2-O 3.23Å; F165-C232 WeakPolarHBondContact CE2-O 3.47Å; F165-C232 HydrophobicContact CG-CB 4.15Å; F165-C232 VanDerWaalsContact CZ-O 3.28Å; F165-C232 WeakPolarHBondContact CZ-O 3.35Å; R228-C232 PolarHBondContact O-N 3.14Å; R228-C232 PolarHBondContact O-SG 3.44Å; Q229-C232 PolarHBondContact O-N 2.85Å; Q229-C232 VanDerWaalsContact O-N 3.15Å |
| 233 | W | 98.7 | Very high | 98.1 | Very high | 17 Ų | 17 | 35.2 Ų | 35.2 | 6% | 0.064 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | 7.1 | 175.1 | -61.8 | -16.8 | 0 | 0 | 0 | 113.7 | Y26 E30 Q229 L230 F231 D235 K236 W237 | Y26-W233 HydrophobicContact CD1-CE3 4.45Å; Y26-W233 HydrophobicContact CE1-CB 4.14Å; Y26-W233 HydrophobicContact CE1-CD2 4.47Å; Y26-W233 HydrophobicContact CE1-CE3 4.11Å; E30-W233 HydrophobicContact CB-CE3 4.23Å; E30-W233 HydrophobicContact CB-CH2 3.98Å; E30-W233 HydrophobicContact CB-CZ3 3.63Å; Q229-W233 HydrophobicContact CB-CD2 4.17Å; Q229-W233 HydrophobicContact CB-CE3 4.05Å; Q229-W233 HydrophobicContact CB-CH2 3.7Å; Q229-W233 HydrophobicContact CB-CZ2 3.81Å; Q229-W233 HydrophobicContact CB-CZ3 3.82Å; Q229-W233 HydrophobicContact CG-CH2 3.93Å; Q229-W233 HydrophobicContact CG-CZ2 3.82Å; Q229-W233 WeakPolarHBondContact O-CB 3.39Å; Q229-W233 PolarHBondContact O-N 3.39Å; L230-W233 PolarHBondContact O-N 3.01Å; F231-W233 PolarHBondContact O-N 3.41Å; W233-D235 PolarHBondContact O-N 2.97Å; W233-D235 VanDerWaalsContact O-N 3.12Å; W233-K236 HydrophobicContact CB-CD 4.3Å; W233-K236 HydrophobicContact CG-CD 4.34Å; W233-K236 WeakPolarHBondContact O-CA 3.3Å; W233-K236 VanDerWaalsContact O-CB 3.28Å; W233-K236 WeakPolarHBondContact O-CB 3.35Å; W233-K236 PolarHBondContact O-N 3.38Å; W233-W237 VanDerWaalsContact C-CD1 3.46Å; W233-W237 PolarHBondContact O-N 2.78Å; W233-W237 PolarHBondContact O-NE1 3.26Å |
| 234 | I | 98.5 | Very high | 98.1 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -51.2 | -40.7 | -176.9 | -168.2 | 165.4 | 0 | 0 | 0 | 113.3 | F165 T170 L230 F231 K236 W237 I238 | F165-I234 HydrophobicContact CE1-CG2 3.65Å; F165-I234 HydrophobicContact CZ-CG2 3.94Å; T170-I234 HydrophobicContact CG2-CD1 4.22Å; T170-I234 HydrophobicContact CG2-CG1 4.43Å; L230-I234 PolarHBondContact O-N 3.02Å; F231-I234 VanDerWaalsContact O-CB 3.28Å; F231-I234 WeakPolarHBondContact O-CB 3.47Å; F231-I234 VanDerWaalsContact O-CG2 3.24Å; F231-I234 WeakPolarHBondContact O-CG2 3.29Å; F231-I234 PolarHBondContact O-N 2.76Å; I234-K236 PolarHBondContact O-N 2.89Å; I234-K236 VanDerWaalsContact O-N 3.14Å; I234-W237 VanDerWaalsContact CA-CE2 3.48Å; I234-W237 HydrophobicContact CB-CH2 4.46Å; I234-W237 HydrophobicContact CB-CZ2 3.82Å; I234-W237 HydrophobicContact CD1-CH2 4.03Å; I234-W237 HydrophobicContact CD1-CZ2 4.14Å; I234-W237 HydrophobicContact CG1-CH2 3.73Å; I234-W237 HydrophobicContact CG1-CZ2 3.6Å; I234-W237 HydrophobicContact CG1-CZ3 4.34Å; I234-W237 PolarHBondContact O-N 2.8Å; I234-W237 VanDerWaalsContact O-N 3.16Å; I234-I238 HydrophobicContact CD1-CD1 4.36Å; I234-I238 HydrophobicContact CG1-CB 4.03Å; I234-I238 HydrophobicContact CG1-CD1 4.17Å; I234-I238 HydrophobicContact CG1-CG1 4.35Å; I234-I238 WeakPolarHBondContact O-CB 3.01Å; I234-I238 VanDerWaalsContact O-CG2 3.3Å; I234-I238 WeakPolarHBondContact O-CG2 3.45Å; I234-I238 PolarHBondContact O-N 3.38Å |
| 235 | D | 98.6 | Very high | 98 | Very high | 32 Ų | 32 | 36.1 Ų | 36.1 | 17% | 0.171 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.4 | -21.6 | 178.8 | -70.8 | -24 | 0 | 0 | 0 | 113.3 | S167 V168 K169 W233 | S167-D235 WeakPolarHBondContact CA-OD2 3.44Å; S167-D235 WeakPolarHBondContact CB-OD1 3.45Å; S167-D235 PolarHBondContact OG-OD1 2.86Å; V168-D235 PolarHBondContact N-OD1 3.01Å; V168-D235 PolarHBondContact N-OD2 2.95Å; K169-D235 WeakPolarHBondContact CB-OD1 3.43Å; K169-D235 HydrophobicContact CD-CB 4.31Å; K169-D235 WeakPolarHBondContact CE-O 3.09Å; K169-D235 HydrophobicContact CG-CB 4.37Å; K169-D235 PolarHBondContact N-OD1 2.88Å; K169-D235 VanDerWaalsContact N-OD1 3.09Å; K169-D235 PolarHBondContact NZ-O 3.26Å; W233-D235 PolarHBondContact O-N 2.97Å; W233-D235 VanDerWaalsContact O-N 3.12Å |
| 236 | K | 98.5 | Very high | 97.8 | Very high | 113 Ų | 113 | 38.8 Ų | 38.8 | 49% | 0.491 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -83.5 | -27.7 | 178.4 | -56.6 | -177.3 | -178.1 | 174.6 | 0 | 112.8 | Y26 W233 I234 | Y26-K236 HydrophobicContact CE1-CB 4.12Å; Y26-K236 HydrophobicContact CE1-CD 4.45Å; Y26-K236 HydrophobicContact CE2-CB 4.22Å; Y26-K236 VanDerWaalsContact OH-CD 3.25Å; Y26-K236 WeakPolarHBondContact OH-CD 3.5Å; W233-K236 HydrophobicContact CB-CD 4.3Å; W233-K236 HydrophobicContact CG-CD 4.34Å; W233-K236 WeakPolarHBondContact O-CA 3.3Å; W233-K236 VanDerWaalsContact O-CB 3.28Å; W233-K236 WeakPolarHBondContact O-CB 3.35Å; W233-K236 PolarHBondContact O-N 3.38Å; I234-K236 PolarHBondContact O-N 2.89Å; I234-K236 VanDerWaalsContact O-N 3.14Å |
| 237 | W | 98.4 | Very high | 97.6 | Very high | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.008 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -119.3 | -16.3 | -172.1 | 62 | -108.6 | 0 | 0 | 0 | 115.8 | E19 V22 G23 Y26 L230 W233 I234 D239 L240 | E19-W237 HydrophobicContact CB-CH2 4.31Å; E19-W237 HydrophobicContact CB-CZ3 4.01Å; E19-W237 WeakPolarHBondContact O-CZ3 3.47Å; V22-W237 WeakPolarHBondContact CG1-O 3.48Å; G23-W237 VanDerWaalsContact CA-CE3 3.48Å; Y26-W237 HydrophobicContact CD1-CB 3.89Å; Y26-W237 AromaticContact CD1-CD1 3.7Å; Y26-W237 HydrophobicContact CD1-CG 4.15Å; Y26-W237 HydrophobicContact CD2-CB 3.89Å; Y26-W237 HydrophobicContact CG-CB 3.55Å; Y26-W237 HydrophobicContact CG-CG 4.23Å; L230-W237 HydrophobicContact CD2-CZ2 3.85Å; L230-W237 HydrophobicContact CG-CZ2 4.45Å; L230-W237 PolarHBondContact O-NE1 2.98Å; W233-W237 VanDerWaalsContact C-CD1 3.46Å; W233-W237 PolarHBondContact O-N 2.78Å; W233-W237 PolarHBondContact O-NE1 3.26Å; I234-W237 VanDerWaalsContact CA-CE2 3.48Å; I234-W237 HydrophobicContact CB-CH2 4.46Å; I234-W237 HydrophobicContact CB-CZ2 3.82Å; I234-W237 HydrophobicContact CD1-CH2 4.03Å; I234-W237 HydrophobicContact CD1-CZ2 4.14Å; I234-W237 HydrophobicContact CG1-CH2 3.73Å; I234-W237 HydrophobicContact CG1-CZ2 3.6Å; I234-W237 HydrophobicContact CG1-CZ3 4.34Å; I234-W237 PolarHBondContact O-N 2.8Å; I234-W237 VanDerWaalsContact O-N 3.16Å; W237-D239 PolarHBondContact O-N 3.08Å; W237-D239 VanDerWaalsContact O-N 3.15Å; W237-L240 HydrophobicContact CB-CD1 4.01Å; W237-L240 WeakPolarHBondContact O-CB 3.39Å; W237-L240 PolarHBondContact O-N 3.08Å |
| 238 | I | 98.3 | Very high | 97.3 | Very high | 33 Ų | 33 | 44.7 Ų | 44.7 | 17% | 0.169 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -29.7 | -171.7 | -168 | 63.5 | 0 | 0 | 0 | 114.2 | E19 K169 T170 I234 | E19-I238 HydrophobicContact CB-CD1 4.34Å; E19-I238 HydrophobicContact CG-CD1 3.76Å; K169-I238 HydrophobicContact CB-CG2 4.28Å; K169-I238 HydrophobicContact CD-CG2 3.71Å; T170-I238 HydrophobicContact CG2-CD1 4.45Å; T170-I238 HydrophobicContact CG2-CG1 3.86Å; T170-I238 HydrophobicContact CG2-CG2 4.48Å; I234-I238 HydrophobicContact CD1-CD1 4.36Å; I234-I238 HydrophobicContact CG1-CB 4.03Å; I234-I238 HydrophobicContact CG1-CD1 4.17Å; I234-I238 HydrophobicContact CG1-CG1 4.35Å; I234-I238 WeakPolarHBondContact O-CB 3.01Å; I234-I238 VanDerWaalsContact O-CG2 3.3Å; I234-I238 WeakPolarHBondContact O-CG2 3.45Å; I234-I238 PolarHBondContact O-N 3.38Å |
| 239 | D | 98.1 | Very high | 97 | Very high | 111 Ų | 111 | 45.8 Ų | 45.8 | 59% | 0.594 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | 1.9 | 179.9 | -55 | -44.8 | 0 | 0 | 0 | 113 | K169 W237 | K169-D239 VanDerWaalsContact CD-OD2 3.25Å; K169-D239 WeakPolarHBondContact CD-OD2 3.35Å; K169-D239 VanDerWaalsContact CE-OD2 3.3Å; K169-D239 WeakPolarHBondContact CE-OD2 3.25Å; K169-D239 IonicContact NZ-OD2 2.68Å; K169-D239 PolarHBondContact NZ-OD2 2.74Å; W237-D239 PolarHBondContact O-N 3.08Å; W237-D239 VanDerWaalsContact O-N 3.15Å |
| 240 | L | 98.3 | Very high | 96.6 | Very high | 43 Ų | 43 | 48.8 Ų | 48.8 | 23% | 0.225 | 23% | 0.234 | C | C | . | . | trans | -76.3 | 139.4 | -179.8 | -63.7 | 178.8 | 0 | 0 | 0 | 110.5 | V22 Y26 W237 D244 I245 M248 | V22-L240 HydrophobicContact CG1-CB 3.82Å; V22-L240 WeakPolarHBondContact CG1-O 3.32Å; Y26-L240 HydrophobicContact CD2-CD1 3.55Å; Y26-L240 HydrophobicContact CE2-CD1 4.16Å; Y26-L240 HydrophobicContact CG-CD1 4.43Å; W237-L240 HydrophobicContact CB-CD1 4.01Å; W237-L240 WeakPolarHBondContact O-CB 3.39Å; W237-L240 PolarHBondContact O-N 3.08Å; L240-D244 HydrophobicContact CB-CB 4.32Å; L240-D244 HydrophobicContact CD2-CB 4.06Å; L240-I245 HydrophobicContact CB-CD1 4.41Å; L240-I245 HydrophobicContact CD1-CD1 3.97Å; L240-M248 HydrophobicContact CD1-SD 3.87Å | ||
| 241 | T | 97.7 | Very high | 96.3 | Very high | 69 Ų | 69 | 53.2 Ų | 53.2 | 42% | 0.423 | 26% | 0.255 | S | S | . | . | trans | -85.7 | 163.8 | 170 | 69 | 0 | 0 | 0 | 0 | 110.8 | E243 D244 I245 | T241-E243 PolarHBondContact O-N 2.79Å; T241-E243 PolarHBondContact OG1-N 2.96Å; T241-D244 WeakPolarHBondContact CB-OD2 3.16Å; T241-D244 PolarHBondContact N-OD2 2.71Å; T241-D244 WeakPolarHBondContact O-CB 3.45Å; T241-D244 PolarHBondContact O-N 2.82Å; T241-D244 VanDerWaalsContact O-N 3.16Å; T241-D244 VanDerWaalsContact OG1-CG 3.24Å; T241-D244 PolarHBondContact OG1-N 2.85Å; T241-D244 VanDerWaalsContact OG1-N 3.14Å; T241-D244 PolarHBondContact OG1-OD2 2.67Å; T241-I245 WeakPolarHBondContact O-CG1 3.35Å; T241-I245 PolarHBondContact O-N 3.39Å | ||
| 242 | M | 94.5 | Very high | 96 | Very high | 58 Ų | 58 | 53.3 Ų | 53.3 | 29% | 0.286 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60 | -28.5 | 170.7 | -77.1 | -58.6 | -50.3 | 0 | 0 | 112.7 | Q21 V22 L25 I245 R246 | Q21-M242 HydrophobicContact CG-SD 4.16Å; V22-M242 HydrophobicContact CG2-SD 4.05Å; L25-M242 HydrophobicContact CD1-CE 3.59Å; L25-M242 HydrophobicContact CD1-SD 4.11Å; M242-I245 PolarHBondContact O-N 3.42Å; M242-R246 WeakPolarHBondContact O-CG 3.28Å; M242-R246 PolarHBondContact O-N 2.97Å |
| 243 | E | 95.9 | Very high | 95.6 | Very high | 152 Ų | 152 | 55.7 Ų | 55.7 | 71% | 0.71 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -67.8 | -43.6 | 174.6 | -174.7 | 179.2 | 172.9 | 0 | 0 | 111.4 | T241 I245 R246 R247 | T241-E243 PolarHBondContact O-N 2.79Å; T241-E243 PolarHBondContact OG1-N 2.96Å; E243-I245 VanDerWaalsContact C-N 3.27Å; E243-I245 PolarHBondContact O-N 2.86Å; E243-R246 PolarHBondContact O-N 2.78Å; E243-R247 PolarHBondContact O-N 3.3Å; E243-R247 VanDerWaalsContact O-N 3.09Å |
| 244 | D | 97.4 | Very high | 95.3 | Very high | 34 Ų | 34 | 61.8 Ų | 61.8 | 18% | 0.182 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.2 | -41.7 | 174.1 | -60.8 | -53.7 | 0 | 0 | 0 | 111.3 | L240 T241 R246 R247 M248 | L240-D244 HydrophobicContact CB-CB 4.32Å; L240-D244 HydrophobicContact CD2-CB 4.06Å; T241-D244 WeakPolarHBondContact CB-OD2 3.16Å; T241-D244 PolarHBondContact N-OD2 2.71Å; T241-D244 WeakPolarHBondContact O-CB 3.45Å; T241-D244 PolarHBondContact O-N 2.82Å; T241-D244 VanDerWaalsContact O-N 3.16Å; T241-D244 VanDerWaalsContact OG1-CG 3.24Å; T241-D244 PolarHBondContact OG1-N 2.85Å; T241-D244 VanDerWaalsContact OG1-N 3.14Å; T241-D244 PolarHBondContact OG1-OD2 2.67Å; D244-R246 PolarHBondContact O-N 3.46Å; D244-R247 PolarHBondContact O-N 3.12Å; D244-R247 IonicContact OD1-CZ 3.39Å; D244-R247 IonicContact OD1-NH1 3.18Å; D244-R247 PolarHBondContact OD1-NH1 3.1Å; D244-R247 IonicContact OD1-NH2 2.72Å; D244-R247 PolarHBondContact OD1-NH2 3.43Å; D244-M248 WeakPolarHBondContact O-CB 3.27Å; D244-M248 WeakPolarHBondContact O-CG 3.34Å; D244-M248 PolarHBondContact O-N 3.48Å |
| 245 | I | 96.2 | Very high | 95 | Very high | 2 Ų | 2 | 65.7 Ų | 65.7 | 1% | 0.01 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.6 | -45 | 176 | -67.2 | -61.2 | 0 | 0 | 0 | 111.7 | V22 L25 L240 T241 M242 E243 R247 M248 E249 | V22-I245 HydrophobicContact CG1-CD1 3.92Å; V22-I245 HydrophobicContact CG1-CG1 3.88Å; L25-I245 HydrophobicContact CB-CG2 3.46Å; L25-I245 VanDerWaalsContact CB-CG2 3.46Å; L25-I245 HydrophobicContact CD1-CG2 3.67Å; L25-I245 HydrophobicContact CG-CG2 4.17Å; L240-I245 HydrophobicContact CB-CD1 4.41Å; L240-I245 HydrophobicContact CD1-CD1 3.97Å; T241-I245 WeakPolarHBondContact O-CG1 3.35Å; T241-I245 PolarHBondContact O-N 3.39Å; M242-I245 PolarHBondContact O-N 3.42Å; E243-I245 VanDerWaalsContact C-N 3.27Å; E243-I245 PolarHBondContact O-N 2.86Å; I245-R247 VanDerWaalsContact C-N 3.34Å; I245-R247 PolarHBondContact O-N 3.4Å; I245-M248 WeakPolarHBondContact O-CB 3.41Å; I245-M248 PolarHBondContact O-N 3.16Å; I245-E249 HydrophobicContact CG2-CG 4.37Å; I245-E249 WeakPolarHBondContact O-CG 3.48Å; I245-E249 PolarHBondContact O-N 3.02Å |
| 246 | R | 93.1 | Very high | 94.7 | Very high | 76 Ų | 76 | 64.2 Ų | 64.2 | 29% | 0.287 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.6 | -43.1 | 178.3 | -67.7 | -56.3 | -180 | -153.1 | -2 | 112 | Q58 M242 E243 D244 M248 E249 D250 | Q58-R246 VanDerWaalsContact CD-CZ 3.4Å; Q58-R246 VanDerWaalsContact OE1-CZ 3.27Å; M242-R246 WeakPolarHBondContact O-CG 3.28Å; M242-R246 PolarHBondContact O-N 2.97Å; E243-R246 PolarHBondContact O-N 2.78Å; D244-R246 PolarHBondContact O-N 3.46Å; R246-M248 VanDerWaalsContact C-N 3.34Å; R246-M248 PolarHBondContact O-N 2.93Å; R246-E249 WeakPolarHBondContact CD-OE2 3.25Å; R246-E249 IonicContact CZ-OE2 3.99Å; R246-E249 IonicContact NE-OE2 2.89Å; R246-E249 IonicContact NH1-OE1 3.04Å; R246-E249 PolarHBondContact NH1-OE1 3.02Å; R246-E249 IonicContact NH1-OE2 3.39Å; R246-E249 PolarHBondContact NH1-OE2 3.44Å; R246-E249 PolarHBondContact O-N 3.49Å; R246-D250 PolarHBondContact O-N 2.99Å; R246-D250 VanDerWaalsContact O-N 3.16Å |
| 247 | R | 94.4 | Very high | 94.2 | Very high | 120 Ų | 120 | 63.1 Ų | 63.1 | 45% | 0.453 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.3 | -44.2 | 174.3 | -175 | 176 | 64.5 | -114.2 | -3.1 | 111.6 | E243 D244 I245 E249 D250 E251 | E243-R247 PolarHBondContact O-N 3.3Å; E243-R247 VanDerWaalsContact O-N 3.09Å; D244-R247 PolarHBondContact O-N 3.12Å; D244-R247 IonicContact OD1-CZ 3.39Å; D244-R247 IonicContact OD1-NH1 3.18Å; D244-R247 PolarHBondContact OD1-NH1 3.1Å; D244-R247 IonicContact OD1-NH2 2.72Å; D244-R247 PolarHBondContact OD1-NH2 3.43Å; I245-R247 VanDerWaalsContact C-N 3.34Å; I245-R247 PolarHBondContact O-N 3.4Å; R247-E249 PolarHBondContact O-N 2.77Å; R247-D250 PolarHBondContact O-N 3.17Å; R247-E251 WeakPolarHBondContact O-CG 3.43Å; R247-E251 PolarHBondContact O-N 3.33Å; R247-E251 VanDerWaalsContact O-N 3.08Å |
| 248 | M | 94.1 | Very high | 93.8 | Very high | 32 Ų | 32 | 66.4 Ų | 66.4 | 16% | 0.158 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.9 | -38 | 177 | -75.9 | -173.9 | 61.8 | 0 | 0 | 113.3 | Y26 L240 D244 I245 R246 E251 T252 | Y26-M248 HydrophobicContact CD2-CE 3.53Å; Y26-M248 HydrophobicContact CD2-SD 3.99Å; Y26-M248 HydrophobicContact CE2-CE 3.62Å; Y26-M248 HydrophobicContact CE2-SD 4.3Å; L240-M248 HydrophobicContact CD1-SD 3.87Å; D244-M248 WeakPolarHBondContact O-CB 3.27Å; D244-M248 WeakPolarHBondContact O-CG 3.34Å; D244-M248 PolarHBondContact O-N 3.48Å; I245-M248 WeakPolarHBondContact O-CB 3.41Å; I245-M248 PolarHBondContact O-N 3.16Å; R246-M248 VanDerWaalsContact C-N 3.34Å; R246-M248 PolarHBondContact O-N 2.93Å; M248-E251 PolarHBondContact O-N 3.28Å; M248-T252 WeakPolarHBondContact O-CB 3.32Å; M248-T252 PolarHBondContact O-N 3.44Å; M248-T252 PolarHBondContact O-OG1 3.15Å |
| 249 | E | 91.2 | Very high | 93.4 | Very high | 29 Ų | 29 | 66.8 Ų | 66.8 | 14% | 0.136 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.3 | -42.4 | 176.4 | -74.2 | 178.7 | 149.7 | 0 | 0 | 111.3 | N47 I245 R246 R247 T252 Q253 | N47-E249 WeakPolarHBondContact ND2-CB 3.21Å; N47-E249 PolarHBondContact ND2-OE2 3.36Å; I245-E249 HydrophobicContact CG2-CG 4.37Å; I245-E249 WeakPolarHBondContact O-CG 3.48Å; I245-E249 PolarHBondContact O-N 3.02Å; R246-E249 WeakPolarHBondContact CD-OE2 3.25Å; R246-E249 IonicContact CZ-OE2 3.99Å; R246-E249 IonicContact NE-OE2 2.89Å; R246-E249 IonicContact NH1-OE1 3.04Å; R246-E249 PolarHBondContact NH1-OE1 3.02Å; R246-E249 IonicContact NH1-OE2 3.39Å; R246-E249 PolarHBondContact NH1-OE2 3.44Å; R246-E249 PolarHBondContact O-N 3.49Å; R247-E249 PolarHBondContact O-N 2.77Å; E249-T252 PolarHBondContact O-N 3.01Å; E249-Q253 PolarHBondContact O-N 3.47Å |
| 250 | D | 90.5 | Very high | 92.9 | Very high | 85 Ų | 85 | 63.1 Ų | 63.1 | 46% | 0.455 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.7 | -41.1 | 177.3 | -72.9 | -13.5 | 0 | 0 | 0 | 112.4 | R246 R247 | R246-D250 PolarHBondContact O-N 2.99Å; R246-D250 VanDerWaalsContact O-N 3.16Å; R247-D250 PolarHBondContact O-N 3.17Å |
| 251 | E | 93.3 | Very high | 92.3 | Very high | 95 Ų | 95 | 67.8 Ų | 67.8 | 44% | 0.444 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65.1 | -46.9 | 173.9 | -72.1 | 171.2 | -173.8 | 0 | 0 | 110.8 | R247 M248 Q253 K254 E255 | R247-E251 WeakPolarHBondContact O-CG 3.43Å; R247-E251 PolarHBondContact O-N 3.33Å; R247-E251 VanDerWaalsContact O-N 3.08Å; M248-E251 PolarHBondContact O-N 3.28Å; E251-Q253 VanDerWaalsContact C-N 3.32Å; E251-Q253 PolarHBondContact O-N 3.32Å; E251-K254 PolarHBondContact O-N 3.27Å; E251-K254 VanDerWaalsContact O-N 3.14Å; E251-E255 WeakPolarHBondContact O-CG 3.36Å; E251-E255 PolarHBondContact O-N 3.02Å |
| 252 | T | 92.1 | Very high | 91.5 | Very high | 6 Ų | 6 | 73.2 Ų | 73.2 | 4% | 0.037 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61 | -40.3 | -179.8 | -62.2 | 0 | 0 | 0 | 0 | 111.4 | A29 K33 M248 E249 K254 E255 L256 | A29-T252 HydrophobicContact CB-CG2 4.02Å; K33-T252 VanDerWaalsContact CE-OG1 3.22Å; K33-T252 WeakPolarHBondContact CE-OG1 3.3Å; K33-T252 HydrophobicContact CG-CG2 4.26Å; M248-T252 WeakPolarHBondContact O-CB 3.32Å; M248-T252 PolarHBondContact O-N 3.44Å; M248-T252 PolarHBondContact O-OG1 3.15Å; E249-T252 PolarHBondContact O-N 3.01Å; T252-K254 VanDerWaalsContact C-N 3.29Å; T252-K254 PolarHBondContact O-N 2.9Å; T252-E255 PolarHBondContact O-N 3.17Å; T252-L256 HydrophobicContact CG2-CD1 3.75Å; T252-L256 HydrophobicContact CG2-CG 3.89Å; T252-L256 WeakPolarHBondContact O-CB 3.31Å; T252-L256 WeakPolarHBondContact O-CG 3.49Å; T252-L256 PolarHBondContact O-N 3.24Å |
| 253 | Q | 91.1 | Very high | 90.7 | Very high | 59 Ų | 59 | 73.4 Ų | 73.4 | 28% | 0.276 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -55.3 | -44.7 | 176.2 | 175.5 | 169.8 | 18.4 | 0 | 0 | 112 | V44 E249 E251 E257 | V44-Q253 HydrophobicContact CB-CB 4.35Å; V44-Q253 HydrophobicContact CB-CG 3.99Å; V44-Q253 HydrophobicContact CG1-CG 4.4Å; V44-Q253 PolarHBondContact O-NE2 2.79Å; E249-Q253 PolarHBondContact O-N 3.47Å; E251-Q253 VanDerWaalsContact C-N 3.32Å; E251-Q253 PolarHBondContact O-N 3.32Å; Q253-E257 PolarHBondContact O-N 3.43Å |
| 254 | K | 91.3 | Very high | 90.1 | Very high | 145 Ų | 145 | 70.1 Ų | 70.1 | 63% | 0.63 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -70.6 | -40.3 | 179.1 | -63.5 | 169.4 | -174.3 | 166.4 | 0 | 112.1 | E251 T252 E257 T258 | E251-K254 PolarHBondContact O-N 3.27Å; E251-K254 VanDerWaalsContact O-N 3.14Å; T252-K254 VanDerWaalsContact C-N 3.29Å; T252-K254 PolarHBondContact O-N 2.9Å; K254-E257 PolarHBondContact O-N 3Å; K254-T258 PolarHBondContact O-N 3.43Å; K254-T258 PolarHBondContact O-OG1 3.34Å; K254-T258 VanDerWaalsContact O-OG1 3.05Å |
| 255 | E | 92.6 | Very high | 89.5 | Confident | 83 Ų | 83 | 71.4 Ų | 71.4 | 39% | 0.388 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.2 | -47.7 | 176.8 | -73.5 | -179.4 | 177.7 | 0 | 0 | 111.3 | K33 E251 T252 E257 T258 M259 | K33-E255 WeakPolarHBondContact CE-OE2 3.34Å; K33-E255 IonicContact NZ-OE2 2.97Å; K33-E255 PolarHBondContact NZ-OE2 3.15Å; E251-E255 WeakPolarHBondContact O-CG 3.36Å; E251-E255 PolarHBondContact O-N 3.02Å; T252-E255 PolarHBondContact O-N 3.17Å; E255-E257 VanDerWaalsContact C-N 3.32Å; E255-E257 PolarHBondContact O-N 2.95Å; E255-T258 WeakPolarHBondContact O-CB 3.17Å; E255-T258 PolarHBondContact O-N 3.38Å; E255-T258 VanDerWaalsContact O-N 3.1Å; E255-M259 WeakPolarHBondContact O-CB 3.39Å; E255-M259 VanDerWaalsContact O-CG 3.3Å; E255-M259 WeakPolarHBondContact O-CG 3.46Å; E255-M259 PolarHBondContact O-N 2.89Å |
| 256 | L | 91.3 | Very high | 89.1 | Confident | 1 Ų | 1 | 76.5 Ų | 76.5 | 1% | 0.005 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -59.7 | -42 | 179 | -70.1 | 176.2 | 0 | 0 | 0 | 111.9 | S32 K33 T36 I42 V44 T252 T258 M259 R260 | S32-L256 VanDerWaalsContact C-CD2 3.5Å; S32-L256 WeakPolarHBondContact O-CD2 3.34Å; K33-L256 HydrophobicContact CB-CD2 4.48Å; K33-L256 HydrophobicContact CG-CD2 4.05Å; T36-L256 HydrophobicContact CG2-CD2 4.11Å; T36-L256 WeakPolarHBondContact OG1-CD2 3.42Å; I42-L256 HydrophobicContact CG2-CD1 4.4Å; V44-L256 HydrophobicContact CG2-CD1 4.07Å; T252-L256 HydrophobicContact CG2-CD1 3.75Å; T252-L256 HydrophobicContact CG2-CG 3.89Å; T252-L256 WeakPolarHBondContact O-CB 3.31Å; T252-L256 WeakPolarHBondContact O-CG 3.49Å; T252-L256 PolarHBondContact O-N 3.24Å; L256-T258 VanDerWaalsContact C-N 3.29Å; L256-T258 PolarHBondContact O-N 3.07Å; L256-M259 PolarHBondContact O-N 3.05Å; L256-R260 VanDerWaalsContact O-CB 3.28Å; L256-R260 WeakPolarHBondContact O-CB 3.28Å; L256-R260 PolarHBondContact O-N 3.49Å |
| 257 | E | 89.1 | Confident | 88.7 | Confident | 91 Ų | 91 | 75.1 Ų | 75.1 | 43% | 0.425 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60.8 | -42.3 | 176.3 | -167.8 | -173.6 | 169 | 0 | 0 | 111.5 | Q253 K254 E255 K261 | Q253-E257 PolarHBondContact O-N 3.43Å; K254-E257 PolarHBondContact O-N 3Å; E255-E257 VanDerWaalsContact C-N 3.32Å; E255-E257 PolarHBondContact O-N 2.95Å; E257-K261 HydrophobicContact CG-CD 4.41Å; E257-K261 WeakPolarHBondContact O-CG 3.25Å; E257-K261 PolarHBondContact O-N 3.26Å; E257-K261 IonicContact OE1-NZ 4Å; E257-K261 PolarHBondContact OE1-NZ 3.26Å |
| 258 | T | 89.8 | Confident | 88.1 | Confident | 70 Ų | 70 | 72 Ų | 72 | 43% | 0.429 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -67 | -46.5 | 178.3 | -57.7 | 0 | 0 | 0 | 0 | 111.5 | K254 E255 L256 K261 R262 | K254-T258 PolarHBondContact O-N 3.43Å; K254-T258 PolarHBondContact O-OG1 3.34Å; K254-T258 VanDerWaalsContact O-OG1 3.05Å; E255-T258 WeakPolarHBondContact O-CB 3.17Å; E255-T258 PolarHBondContact O-N 3.38Å; E255-T258 VanDerWaalsContact O-N 3.1Å; L256-T258 VanDerWaalsContact C-N 3.29Å; L256-T258 PolarHBondContact O-N 3.07Å; T258-K261 PolarHBondContact O-N 3.16Å; T258-R262 WeakPolarHBondContact O-CB 3.43Å; T258-R262 PolarHBondContact O-N 3.34Å |
| 259 | M | 89.7 | Confident | 87.3 | Confident | 42 Ų | 42 | 72.8 Ų | 72.8 | 21% | 0.207 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -65.3 | -37.2 | 178.5 | -70.2 | 175.2 | 66.7 | 0 | 0 | 111.9 | K33 T36 G37 E255 L256 K261 R262 | K33-M259 HydrophobicContact CB-CE 4.32Å; K33-M259 HydrophobicContact CB-SD 4.38Å; K33-M259 HydrophobicContact CG-SD 4.5Å; K33-M259 WeakPolarHBondContact O-CE 3.27Å; T36-M259 HydrophobicContact CG2-CB 4.21Å; T36-M259 WeakPolarHBondContact O-CE 3.19Å; G37-M259 WeakPolarHBondContact CA-O 3.33Å; E255-M259 WeakPolarHBondContact O-CB 3.39Å; E255-M259 VanDerWaalsContact O-CG 3.3Å; E255-M259 WeakPolarHBondContact O-CG 3.46Å; E255-M259 PolarHBondContact O-N 2.89Å; L256-M259 PolarHBondContact O-N 3.05Å; M259-K261 VanDerWaalsContact C-N 3.33Å; M259-K261 PolarHBondContact O-N 3.46Å; M259-R262 CarbonylContact C-O 3.52Å; M259-R262 CarbonylContact O-C 3.5Å; M259-R262 PolarHBondContact O-N 2.94Å |
| 260 | R | 87.8 | Confident | 86.7 | Confident | 33 Ų | 33 | 71.8 Ų | 71.8 | 13% | 0.125 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -64.3 | -41.7 | 175.4 | -172.7 | -174.7 | 60.9 | 167 | -11.7 | 110.9 | T36 G39 E43 H65 L256 R262 | T36-R260 HydrophobicContact CG2-CB 3.81Å; G39-R260 VanDerWaalsContact CA-O 3.29Å; G39-R260 WeakPolarHBondContact CA-O 3.44Å; G39-R260 PolarHBondContact N-O 3.2Å; E43-R260 VanDerWaalsContact CD-CZ 3.5Å; E43-R260 VanDerWaalsContact CD-NH2 3.3Å; E43-R260 IonicContact OE1-CZ 3.49Å; E43-R260 IonicContact OE1-NH1 3.54Å; E43-R260 PolarHBondContact OE1-NH1 2.9Å; E43-R260 IonicContact OE1-NH2 3.5Å; E43-R260 PolarHBondContact OE1-NH2 3.21Å; E43-R260 IonicContact OE2-CZ 2.73Å; E43-R260 IonicContact OE2-NH1 3.42Å; E43-R260 PolarHBondContact OE2-NH1 3.28Å; E43-R260 IonicContact OE2-NH2 2.68Å; H65-R260 PolarHBondContact CE1-NH1 3.12Å; H65-R260 VanDerWaalsContact CE1-NH1 3.34Å; H65-R260 PolarHBondContact NE2-NH1 2.75Å; L256-R260 VanDerWaalsContact O-CB 3.28Å; L256-R260 WeakPolarHBondContact O-CB 3.28Å; L256-R260 PolarHBondContact O-N 3.49Å; R260-R262 VanDerWaalsContact C-N 3.34Å |
| 261 | K | 85.8 | Confident | 85.4 | Confident | 141 Ų | 141 | 68.8 Ų | 68.8 | 61% | 0.613 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -75 | -19.2 | 179.9 | -71.6 | 173.2 | 176.4 | 171.2 | 0 | 113.6 | E257 T258 M259 | E257-K261 HydrophobicContact CG-CD 4.41Å; E257-K261 WeakPolarHBondContact O-CG 3.25Å; E257-K261 PolarHBondContact O-N 3.26Å; E257-K261 IonicContact OE1-NZ 4Å; E257-K261 PolarHBondContact OE1-NZ 3.26Å; T258-K261 PolarHBondContact O-N 3.16Å; M259-K261 VanDerWaalsContact C-N 3.33Å; M259-K261 PolarHBondContact O-N 3.46Å |
| 262 | R | 80 | Confident | 83.5 | Confident | 184 Ų | 184 | 71.8 Ų | 71.8 | 69% | 0.694 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -134.5 | 143.8 | -170.4 | -60.3 | -179.1 | 178.1 | 176.8 | -0.5 | 112.5 | T258 M259 R260 | T258-R262 WeakPolarHBondContact O-CB 3.43Å; T258-R262 PolarHBondContact O-N 3.34Å; M259-R262 CarbonylContact C-O 3.52Å; M259-R262 CarbonylContact O-C 3.5Å; M259-R262 PolarHBondContact O-N 2.94Å; R260-R262 VanDerWaalsContact C-N 3.34Å |
| 263 | G | 78.1 | Confident | 81.4 | Confident | 62 Ų | 62 | 77.7 Ų | 77.7 | 64% | 0.639 | 42% | 0.421 | S | S | * | . | S | Bend | trans | 92.5 | -164.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | G38 | G38-G263 VanDerWaalsContact CA-O 3.28Å; G38-G263 WeakPolarHBondContact CA-O 3.34Å |
| 264 | S | 83.2 | Confident | 81 | Confident | 82 Ų | 82 | 78.7 Ų | 78.7 | 57% | 0.573 | 43% | 0.428 | S | S | * | . | trans | -102.8 | 154.8 | -176.6 | 60.1 | 0 | 0 | 0 | 0 | 112.8 | G37 | G37-S264 CarbonylContact C-O 3.55Å; G37-S264 WeakPolarHBondContact CA-O 3.2Å | ||
| 265 | V | 84.7 | Confident | 80.4 | Confident | 61 Ų | 61 | 75.2 Ų | 75.2 | 37% | 0.37 | 42% | 0.417 | S | S | . | . | trans | -56.2 | 140 | 168 | -179.7 | 0 | 0 | 0 | 0 | 109.2 | E40 | E40-V265 HydrophobicContact CG-CG2 4.48Š| ||
| 266 | R | 87.6 | Confident | 79.7 | Confident | 109 Ų | 109 | 74.7 Ų | 74.7 | 41% | 0.411 | 42% | 0.419 | S | S | . | . | trans | -153.9 | 173 | -174.3 | 64.6 | 180 | 72 | -175.3 | 2.5 | 111 | N34 T36 K69 | N34-R266 WeakPolarHBondContact O-CG 3.5Å; T36-R266 WeakPolarHBondContact O-CD 3.39Å; K69-R266 WeakPolarHBondContact CE-O 3.15Å; K69-R266 PolarHBondContact NZ-O 2.68Å | ||
| 267 | G | 84.8 | Confident | 79.1 | Confident | 48 Ų | 48 | 79.1 Ų | 79.1 | 50% | 0.495 | 44% | 0.443 | S | S | . | . | S | Bend | trans | 85.8 | -160 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | N34 E35 | N34-G267 WeakPolarHBondContact O-CA 3.49Å; E35-G267 WeakPolarHBondContact OE2-CA 3.49Å |
| 268 | T | 81.9 | Confident | 78.4 | Confident | 53 Ų | 53 | 78.3 Ų | 78.3 | 33% | 0.325 | 45% | 0.445 | S | S | . | . | trans | -72.5 | 133.2 | -172.2 | -48 | 0 | 0 | 0 | 0 | 110.9 | E35 | E35-T268 VanDerWaalsContact CD-N 3.28Å; E35-T268 WeakPolarHBondContact OE1-CB 3.39Å; E35-T268 PolarHBondContact OE1-N 3.22Å; E35-T268 PolarHBondContact OE1-OG1 3.45Å; E35-T268 PolarHBondContact OE2-N 3.39Å | ||
| 269 | S | 77.7 | Confident | 77.7 | Confident | 49 Ų | 49 | 78.9 Ų | 78.9 | 34% | 0.343 | 45% | 0.446 | S | S | . | . | trans | -117.1 | 136.1 | 173.4 | -178.6 | 0 | 0 | 0 | 0 | 110 | R221 A271 | R221-S269 PolarHBondContact NH1-O 3.21Å; S269-A271 WeakPolarHBondContact OG-CB 3.39Å; S269-A271 PolarHBondContact OG-N 2.6Å; S269-A271 VanDerWaalsContact OG-N 3.08Å | ||
| 270 | A | 78.2 | Confident | 76.8 | Confident | 8 Ų | 8 | 81.5 Ų | 81.5 | 7% | 0.066 | 46% | 0.463 | C | S | . | . | trans | -103.3 | 12.5 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | K69 P71 F214 D272 V273 | K69-A270 PolarHBondContact O-N 3.48Å; P71-A270 WeakPolarHBondContact CA-O 3.46Å; P71-A270 HydrophobicContact CG-CB 4.19Å; P71-A270 WeakPolarHBondContact CG-O 3.42Å; F214-A270 HydrophobicContact CE2-CB 4.31Å; F214-A270 HydrophobicContact CZ-CB 3.93Å; A270-D272 VanDerWaalsContact C-N 3.27Å; A270-D272 PolarHBondContact O-N 3.02Å; A270-V273 PolarHBondContact O-N 2.96Å | ||
| 271 | A | 63.3 | Low | 76 | Confident | 23 Ų | 23 | 85.2 Ų | 85.2 | 19% | 0.19 | 49% | 0.489 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -29.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | S269 | S269-A271 WeakPolarHBondContact OG-CB 3.39Å; S269-A271 PolarHBondContact OG-N 2.6Å; S269-A271 VanDerWaalsContact OG-N 3.08Å |
| 272 | D | 53.7 | Low | 75.1 | Confident | 158 Ų | 158 | 80.6 Ų | 80.6 | 85% | 0.845 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.9 | 8 | -174.1 | -55.2 | -43.1 | 0 | 0 | 0 | 113.5 | A270 | A270-D272 VanDerWaalsContact C-N 3.27Å; A270-D272 PolarHBondContact O-N 3.02Å |
| 273 | V | 48.7 | Very low | 74.7 | Confident | 130 Ų | 130 | 71.2 Ų | 71.2 | 79% | 0.788 | 46% | 0.459 | S | S | * | . | trans | -97.2 | 0 | 178.1 | -172.2 | 0 | 0 | 0 | 0 | 111.3 | A270 | A270-V273 PolarHBondContact O-N 2.96Š|
Retrieved 273 of 273 residues in 265.8 ms
(Link to these results)