| 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 | 38.6 | Very low | 84.4 | Confident | 243 Ų | 243 | 86.1 Ų | 86.1 | 100% | 1.197 | 47% | 0.465 | S | S | * | . | 0 | 117.6 | 0 | -68.2 | -177.9 | -121.3 | 0 | 0 | 105.9 | Q3 | M1-Q3 PolarHBondContact O-N 3.22Š| |||
| 2 | T | 50.5 | Low | 85.6 | Confident | 146 Ų | 146 | 78.9 Ų | 78.9 | 90% | 0.896 | 43% | 0.426 | S | S | * | . | trans | -66.6 | 111.5 | 176 | 43.4 | 0 | 0 | 0 | 0 | 107.8 | T4 | T2-T4 PolarHBondContact O-N 3.05Š| ||
| 3 | Q | 68.4 | Low | 86.6 | Confident | 138 Ų | 138 | 72.8 Ų | 72.8 | 65% | 0.645 | 39% | 0.394 | S | S | * | . | P | Polyproline II helix | trans | -62.7 | 133.6 | 177.6 | -171.3 | 170 | -4.2 | 0 | 0 | 108.6 | M1 | M1-Q3 PolarHBondContact O-N 3.22Š|
| 4 | T | 85.9 | Confident | 87.5 | Confident | 119 Ų | 119 | 67.6 Ų | 67.6 | 73% | 0.73 | 37% | 0.366 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 129.2 | 175.2 | -53.2 | 0 | 0 | 0 | 0 | 109 | T2 Q309 | T2-T4 PolarHBondContact O-N 3.05Å; T4-Q309 PolarHBondContact O-NE2 3.29Å |
| 5 | P | 94.1 | Very high | 88.2 | Confident | 52 Ų | 52 | 63.1 Ų | 63.1 | 34% | 0.338 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -56.6 | 147.6 | 179.2 | -23.4 | 31.8 | 0 | 0 | 0 | 112.2 | F7 D8 D305 | P5-F7 VanDerWaalsContact C-N 3.3Å; P5-F7 PolarHBondContact O-N 3.13Å; P5-D8 HydrophobicContact CB-CB 4.08Å; P5-D8 HydrophobicContact CG-CB 4.29Å; P5-D305 WeakPolarHBondContact CA-OD1 3.38Å |
| 6 | A | 97.4 | Very high | 88.9 | Confident | 8 Ų | 8 | 59.2 Ų | 59.2 | 7% | 0.066 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -67.5 | -37.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111 | D305 Y308 Q309 K312 | A6-D305 PolarHBondContact N-OD1 2.99Å; A6-Y308 VanDerWaalsContact CB-C 3.46Å; A6-Y308 WeakPolarHBondContact CB-O 3.19Å; A6-Q309 HydrophobicContact CB-CB 4.35Å; A6-Q309 HydrophobicContact CB-CG 3.79Å; A6-K312 HydrophobicContact CB-CB 4.29Å; A6-K312 HydrophobicContact CB-CD 3.75Å; A6-K312 PolarHBondContact O-NZ 2.99Å |
| 7 | F | 98.5 | Very high | 89.5 | Confident | 5 Ų | 5 | 56.8 Ų | 56.8 | 2% | 0.022 | 31% | 0.306 | C | S | . | . | trans | -144.8 | 94.1 | 178.9 | -176.1 | -116.5 | 0 | 0 | 0 | 110.8 | P5 K9 K11 Y308 E319 F322 K323 Y351 | P5-F7 VanDerWaalsContact C-N 3.3Å; P5-F7 PolarHBondContact O-N 3.13Å; F7-K9 VanDerWaalsContact C-N 3.31Å; F7-K9 HydrophobicContact CD1-CB 4.31Å; F7-K9 HydrophobicContact CD2-CB 4.45Å; F7-K9 HydrophobicContact CD2-CD 4.48Å; F7-K9 HydrophobicContact CD2-CG 4.4Å; F7-K9 HydrophobicContact CE1-CB 3.79Å; F7-K9 HydrophobicContact CE2-CB 3.96Å; F7-K9 HydrophobicContact CE2-CD 3.7Å; F7-K9 HydrophobicContact CE2-CG 3.98Å; F7-K9 HydrophobicContact CZ-CB 3.61Å; F7-K9 HydrophobicContact CZ-CD 3.96Å; F7-K9 HydrophobicContact CZ-CG 4.14Å; F7-K9 PolarHBondContact O-N 3Å; F7-K9 VanDerWaalsContact O-N 3.14Å; F7-K11 HydrophobicContact CD1-CG 4.04Å; F7-K11 HydrophobicContact CE1-CG 4.26Å; F7-K11 WeakPolarHBondContact O-CE 3.2Å; F7-K11 PolarHBondContact O-NZ 3.19Å; F7-Y308 HydrophobicContact CB-CD1 3.45Å; F7-Y308 VanDerWaalsContact CB-CD1 3.45Å; F7-Y308 HydrophobicContact CB-CE1 3.86Å; F7-Y308 HydrophobicContact CB-CG 4.42Å; F7-Y308 HydrophobicContact CD1-CD1 4.04Å; F7-Y308 AromaticContact CD1-CE1 3.5Å; F7-Y308 HydrophobicContact CD1-CE1 3.5Å; F7-Y308 VanDerWaalsContact CD1-CE1 3.5Å; F7-Y308 HydrophobicContact CE1-CE1 4.3Å; F7-Y308 HydrophobicContact CG-CD1 4.07Å; F7-Y308 AromaticContact CG-CE1 3.95Å; F7-Y308 HydrophobicContact CG-CE1 3.95Å; F7-E319 HydrophobicContact CD2-CG 4.11Å; F7-E319 HydrophobicContact CE2-CG 3.84Å; F7-F322 HydrophobicContact CB-CB 4.44Å; F7-F322 HydrophobicContact CB-CD2 3.83Å; F7-F322 HydrophobicContact CB-CE2 4.31Å; F7-F322 HydrophobicContact CB-CG 4.18Å; F7-F322 HydrophobicContact CD1-CB 4.08Å; F7-F322 HydrophobicContact CD2-CB 3.61Å; F7-F322 AromaticContact CD2-CD2 3.95Å; F7-F322 HydrophobicContact CD2-CD2 3.95Å; F7-F322 HydrophobicContact CD2-CG 4.14Å; F7-F322 HydrophobicContact CE1-CB 4.15Å; F7-F322 HydrophobicContact CE2-CB 3.69Å; F7-F322 HydrophobicContact CG-CB 3.8Å; F7-F322 HydrophobicContact CG-CD2 4.05Å; F7-F322 HydrophobicContact CG-CG 4.09Å; F7-F322 HydrophobicContact CZ-CB 3.95Å; F7-K323 HydrophobicContact CE2-CG 4.12Å; F7-K323 HydrophobicContact CZ-CG 4.06Å; F7-Y351 HydrophobicContact CE1-CE1 4.29Å; F7-Y351 AromaticContact CZ-CE1 3.71Å; F7-Y351 HydrophobicContact CZ-CE1 3.71Å; F7-Y351 AromaticContact CZ-CZ 3.88Å | ||
| 8 | D | 98.1 | Very high | 90 | Very high | 132 Ų | 132 | 53.7 Ų | 53.7 | 71% | 0.706 | 29% | 0.29 | S | S | * | . | trans | -89.8 | 61.6 | -178.7 | -163.1 | 20.3 | 0 | 0 | 0 | 112.1 | P5 | P5-D8 HydrophobicContact CB-CB 4.08Å; P5-D8 HydrophobicContact CG-CB 4.29Å | ||
| 9 | K | 98.6 | Very high | 90.5 | Very high | 65 Ų | 65 | 51.2 Ų | 51.2 | 28% | 0.283 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -140.8 | 170.6 | 177.7 | -60 | -168.7 | -171.8 | -60.7 | 0 | 110.3 | F7 K11 E319 Y351 | F7-K9 VanDerWaalsContact C-N 3.31Å; F7-K9 HydrophobicContact CD1-CB 4.31Å; F7-K9 HydrophobicContact CD2-CB 4.45Å; F7-K9 HydrophobicContact CD2-CD 4.48Å; F7-K9 HydrophobicContact CD2-CG 4.4Å; F7-K9 HydrophobicContact CE1-CB 3.79Å; F7-K9 HydrophobicContact CE2-CB 3.96Å; F7-K9 HydrophobicContact CE2-CD 3.7Å; F7-K9 HydrophobicContact CE2-CG 3.98Å; F7-K9 HydrophobicContact CZ-CB 3.61Å; F7-K9 HydrophobicContact CZ-CD 3.96Å; F7-K9 HydrophobicContact CZ-CG 4.14Å; F7-K9 PolarHBondContact O-N 3Å; F7-K9 VanDerWaalsContact O-N 3.14Å; K9-K11 WeakPolarHBondContact O-CG 3.48Å; K9-K11 PolarHBondContact O-NZ 2.95Å; K9-E319 VanDerWaalsContact CE-CD 3.44Å; K9-E319 WeakPolarHBondContact CE-OE1 3.46Å; K9-E319 IonicContact NZ-OE1 3.79Å; K9-Y351 HydrophobicContact CB-CD1 4.39Å; K9-Y351 HydrophobicContact CB-CE1 3.87Å; K9-Y351 HydrophobicContact CD-CD1 3.93Å; K9-Y351 HydrophobicContact CD-CE1 4.13Å |
| 10 | P | 98.8 | Very high | 90.9 | Very high | 31 Ų | 31 | 48.6 Ų | 48.6 | 20% | 0.201 | 26% | 0.262 | C | S | . | . | trans | -51.3 | 140.2 | 173.6 | -35.2 | 43.1 | 0 | 0 | 0 | 113.6 | G94 V96 L346 L347 A350 Y351 | P10-G94 CarbonylContact C-O 3.48Å; P10-G94 VanDerWaalsContact CA-O 3.27Å; P10-G94 WeakPolarHBondContact CA-O 3.04Å; P10-V96 HydrophobicContact CB-CB 4.48Å; P10-V96 HydrophobicContact CB-CG1 3.71Å; P10-V96 HydrophobicContact CB-CG2 3.9Å; P10-V96 HydrophobicContact CG-CG1 4.24Å; P10-L346 HydrophobicContact CB-CD2 4.36Å; P10-L347 HydrophobicContact CB-CD2 3.93Å; P10-A350 HydrophobicContact CB-CB 4.42Å; P10-A350 HydrophobicContact CG-CB 3.61Å; P10-Y351 PolarHBondContact O-OH 3.03Å | ||
| 11 | K | 98.9 | Very high | 91.3 | Very high | 8 Ų | 8 | 46.7 Ų | 46.7 | 4% | 0.035 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 155.2 | -179 | -59.5 | 167.9 | -160.2 | 68.8 | 0 | 111.5 | F7 K9 E93 G94 V95 V96 L304 Y308 N326 | F7-K11 HydrophobicContact CD1-CG 4.04Å; F7-K11 HydrophobicContact CE1-CG 4.26Å; F7-K11 WeakPolarHBondContact O-CE 3.2Å; F7-K11 PolarHBondContact O-NZ 3.19Å; K9-K11 WeakPolarHBondContact O-CG 3.48Å; K9-K11 PolarHBondContact O-NZ 2.95Å; K11-E93 PolarHBondContact NZ-O 3.32Å; K11-G94 PolarHBondContact N-O 3.46Å; K11-V95 HydrophobicContact CB-CG2 4.45Å; K11-V95 WeakPolarHBondContact O-CA 3.34Å; K11-V96 WeakPolarHBondContact O-CG2 3.35Å; K11-V96 PolarHBondContact O-N 3.33Å; K11-L304 HydrophobicContact CB-CD2 3.9Å; K11-L304 HydrophobicContact CD-CD2 3.56Å; K11-L304 HydrophobicContact CD-CG 4.19Å; K11-L304 HydrophobicContact CG-CD2 4.31Å; K11-Y308 HydrophobicContact CD-CE1 4.49Å; K11-Y308 HydrophobicContact CD-CE2 4.12Å; K11-N326 VanDerWaalsContact CA-OD1 3.3Å; K11-N326 WeakPolarHBondContact CA-OD1 3.2Å |
| 12 | V | 98.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 132 | 171.8 | 174.7 | 0 | 0 | 0 | 0 | 108.4 | L14 Y97 N326 A329 A330 L343 L347 | V12-L14 HydrophobicContact CG1-CD2 3.78Å; V12-L14 HydrophobicContact CG1-CG 4.13Å; V12-Y97 WeakPolarHBondContact CA-O 3.38Å; V12-Y97 HydrophobicContact CG1-CD1 3.74Å; V12-N326 PolarHBondContact N-OD1 3.31Å; V12-A329 HydrophobicContact CB-CB 3.87Å; V12-A329 HydrophobicContact CG1-CB 3.62Å; V12-A330 HydrophobicContact CG2-CB 4.36Å; V12-L343 HydrophobicContact CG2-CD1 4.36Å; V12-L343 HydrophobicContact CG2-CD2 4.26Å; V12-L347 HydrophobicContact CG2-CD1 3.94Å |
| 13 | E | 98.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 123.6 | 178.5 | -173.3 | 172 | -146.5 | 0 | 0 | 110 | V16 K90 Y97 V98 E99 N293 T294 | E13-V16 HydrophobicContact CG-CB 4.33Å; E13-V16 HydrophobicContact CG-CG1 4.05Å; E13-K90 VanDerWaalsContact CD-NZ 3.35Å; E13-K90 IonicContact OE1-NZ 2.76Å; E13-K90 PolarHBondContact OE1-NZ 2.87Å; E13-K90 VanDerWaalsContact OE2-CD 3.28Å; E13-K90 WeakPolarHBondContact OE2-CD 3.29Å; E13-K90 WeakPolarHBondContact OE2-CE 3.32Å; E13-K90 IonicContact OE2-NZ 2.63Å; E13-K90 PolarHBondContact OE2-NZ 3.31Å; E13-Y97 PolarHBondContact N-O 3.17Å; E13-Y97 VanDerWaalsContact N-O 3.09Å; E13-V98 HydrophobicContact CB-CG2 4.26Å; E13-V98 VanDerWaalsContact O-CA 3.27Å; E13-V98 WeakPolarHBondContact O-CA 3.28Å; E13-E99 PolarHBondContact O-N 3.03Å; E13-N293 HydrophobicContact CG-CB 4.11Å; E13-T294 VanDerWaalsContact OE1-CB 3.26Å; E13-T294 WeakPolarHBondContact OE1-CB 3.07Å; E13-T294 WeakPolarHBondContact OE1-CG2 3.25Å; E13-T294 PolarHBondContact OE1-N 3Å; E13-T294 PolarHBondContact OE1-OG1 2.93Å |
| 14 | L | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | -10.2 | -173.4 | -58.1 | -178.9 | 0 | 0 | 0 | 112.9 | V12 Y97 E99 R101 N293 A329 | V12-L14 HydrophobicContact CG1-CD2 3.78Å; V12-L14 HydrophobicContact CG1-CG 4.13Å; L14-Y97 HydrophobicContact CD2-CD1 4.21Å; L14-Y97 HydrophobicContact CD2-CE1 3.78Å; L14-E99 HydrophobicContact CD2-CG 4.19Å; L14-R101 PolarHBondContact O-NH2 3.43Å; L14-N293 PolarHBondContact N-OD1 3.35Å; L14-A329 HydrophobicContact CD1-CB 3.92Å; L14-A329 HydrophobicContact CG-CB 4.29Å |
| 15 | H | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 88.6 | -173.5 | -164.9 | 122.3 | 0 | 0 | 0 | 112.2 | R101 H214 H238 E260 N293 D295 | H15-R101 PolarHBondContact CE1-NH1 3.08Å; H15-R101 VanDerWaalsContact ND1-CZ 3.28Å; H15-R101 PolarHBondContact ND1-NH1 2.95Å; H15-R101 VanDerWaalsContact ND1-NH1 3.15Å; H15-R101 PolarHBondContact ND1-NH2 3.16Å; H15-H214 AromaticContact CE1-CD2 3.86Å; H15-H214 AromaticContact CE1-CE1 3.36Å; H15-H214 PolarHBondContact CE1-CE1 3.35Å; H15-H214 AromaticContact CE1-ND1 3.93Å; H15-H214 AromaticContact CE1-NE2 3.31Å; H15-H214 PolarHBondContact CE1-NE2 3.36Å; H15-H214 VanDerWaalsContact CE1-NE2 3.31Å; H15-H214 AromaticContact NE2-CD2 4Å; H15-H214 AromaticContact NE2-CE1 3.51Å; H15-H214 AromaticContact NE2-NE2 3.17Å; H15-H214 PolarHBondContact NE2-NE2 2.98Å; H15-H214 VanDerWaalsContact NE2-NE2 3.17Å; H15-H238 AromaticContact CE1-NE2 3.81Å; H15-H238 AromaticContact NE2-CE1 3.8Å; H15-H238 AromaticContact NE2-NE2 3.72Å; H15-E260 HydrophobicContact CB-CB 3.82Å; H15-E260 HydrophobicContact CB-CG 4.42Å; H15-E260 IonicContact CE1-OE2 3.84Å; H15-E260 IonicContact CG-OE2 2.85Å; H15-E260 IonicContact ND1-OE2 3.16Å; H15-E260 PolarHBondContact ND1-OE2 3.26Å; H15-N293 HydrophobicContact CB-CB 3.73Å; H15-N293 PolarHBondContact N-OD1 2.99Å; H15-N293 VanDerWaalsContact N-OD1 3.08Å; H15-N293 WeakPolarHBondContact O-CB 3.31Å; H15-D295 IonicContact CD2-OD1 3.94Å; H15-D295 PolarHBondContact CD2-OD1 3.39Å; H15-D295 VanDerWaalsContact CD2-OD1 3.24Å; H15-D295 IonicContact NE2-OD1 3.32Å; H15-D295 PolarHBondContact NE2-OD1 3.1Å; H15-D295 WeakPolarHBondContact O-CA 3.47Å; H15-D295 PolarHBondContact O-N 3.12Å; H15-D295 VanDerWaalsContact O-N 3.1Å |
| 16 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 132.6 | 176.7 | 55 | 0 | 0 | 0 | 0 | 110 | E13 A21 F86 V98 V100 R101 T294 D295 P297 | E13-V16 HydrophobicContact CG-CB 4.33Å; E13-V16 HydrophobicContact CG-CG1 4.05Å; V16-A21 HydrophobicContact CG2-CB 4.36Å; V16-F86 HydrophobicContact CG1-CE2 4.13Å; V16-F86 HydrophobicContact CG1-CZ 3.66Å; V16-F86 HydrophobicContact CG2-CE2 3.81Å; V16-F86 HydrophobicContact CG2-CZ 4.22Å; V16-V98 HydrophobicContact CG1-CG2 3.67Å; V16-V100 HydrophobicContact CG1-CG2 4.45Å; V16-V100 WeakPolarHBondContact O-CA 3.49Å; V16-V100 WeakPolarHBondContact O-CG2 3.38Å; V16-R101 WeakPolarHBondContact O-CG 3.39Å; V16-R101 PolarHBondContact O-N 2.87Å; V16-T294 WeakPolarHBondContact CG2-OG1 3.44Å; V16-D295 CarbonylContact C-O 3.52Å; V16-D295 VanDerWaalsContact CA-O 3.3Å; V16-D295 WeakPolarHBondContact CA-O 3.3Å; V16-D295 WeakPolarHBondContact CG2-O 3.3Å; V16-P297 HydrophobicContact CG2-CG 4.29Å |
| 17 | H | 98.9 | Very high | 98.8 | Very high | 19 Ų | 19 | 21.2 Ų | 21.2 | 9% | 0.088 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 129.9 | -179 | -79.8 | -97.8 | 0 | 0 | 0 | 111.2 | D19 G20 A21 R101 H214 D295 D296 | H17-D19 IonicContact ND1-OD1 3.72Å; H17-G20 CarbonylContact O-C 3.45Å; H17-G20 PolarHBondContact O-N 3.44Å; H17-A21 WeakPolarHBondContact O-CB 3.32Å; H17-A21 PolarHBondContact O-N 3.42Å; H17-A21 VanDerWaalsContact O-N 3.11Å; H17-R101 CarbonylContact C-O 3.56Å; H17-R101 VanDerWaalsContact CA-O 3.31Å; H17-R101 WeakPolarHBondContact CA-O 3.44Å; H17-R101 VanDerWaalsContact NE2-CD 3.28Å; H17-R101 WeakPolarHBondContact NE2-CD 3.37Å; H17-H214 AromaticContact NE2-CE1 3.49Å; H17-H214 PolarHBondContact NE2-CE1 2.9Å; H17-H214 AromaticContact NE2-NE2 3.43Å; H17-H214 PolarHBondContact NE2-NE2 3.3Å; H17-D295 IonicContact CD2-OD1 2.75Å; H17-D295 PolarHBondContact CD2-OD1 3.02Å; H17-D295 PolarHBondContact N-O 2.94Å; H17-D295 IonicContact NE2-OD1 2.78Å; H17-D296 WeakPolarHBondContact CB-OD1 3.45Å; H17-D296 IonicContact CD2-OD2 2.69Å; H17-D296 IonicContact CG-OD1 2.97Å |
| 18 | L | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 21.9 Ų | 21.9 | 1% | 0.005 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -65.4 | -46.3 | 177.9 | 179.6 | 59.4 | 0 | 0 | 0 | 110.9 | G20 A21 I22 I82 A83 F86 V100 R101 Y102 V133 | L18-G20 VanDerWaalsContact C-N 3.27Å; L18-A21 PolarHBondContact O-N 3.36Å; L18-A21 VanDerWaalsContact O-N 3.17Å; L18-I22 WeakPolarHBondContact O-CG1 3.35Å; L18-I82 HydrophobicContact CD1-CG1 4.35Å; L18-I82 HydrophobicContact CD2-CD1 4.26Å; L18-I82 HydrophobicContact CD2-CG1 4.29Å; L18-I82 HydrophobicContact CG-CD1 4.11Å; L18-I82 HydrophobicContact CG-CG1 4.28Å; L18-A83 HydrophobicContact CD2-CB 4.28Å; L18-F86 HydrophobicContact CD1-CB 3.71Å; L18-F86 HydrophobicContact CD1-CD2 4.27Å; L18-F86 HydrophobicContact CD1-CG 3.93Å; L18-V100 HydrophobicContact CB-CG2 3.61Å; L18-V100 HydrophobicContact CD1-CG2 4.32Å; L18-R101 PolarHBondContact N-O 2.83Å; L18-Y102 HydrophobicContact CB-CD1 4.4Å; L18-Y102 HydrophobicContact CD2-CD1 4.27Å; L18-Y102 HydrophobicContact CD2-CG 4.49Å; L18-V133 HydrophobicContact CD2-CG1 3.8Å; L18-V133 HydrophobicContact CD2-CG2 3.9Å |
| 19 | D | 98.8 | Very high | 98.8 | Very high | 5 Ų | 5 | 20.2 Ų | 20.2 | 3% | 0.027 | 10% | 0.096 | C | C | . | . | G | 310 helix | trans | -64.8 | -32.6 | 175.2 | 40.8 | -1.9 | 0 | 0 | 0 | 111.7 | H17 A21 F65 Y68 M69 | H17-D19 IonicContact ND1-OD1 3.72Å; D19-A21 VanDerWaalsContact C-N 3.3Å; D19-A21 PolarHBondContact O-N 3.39Å; D19-F65 HydrophobicContact CB-CE1 4.13Å; D19-Y68 VanDerWaalsContact O-CE2 3.25Å; D19-Y68 WeakPolarHBondContact O-CE2 3.28Å; D19-Y68 PolarHBondContact O-OH 3.25Å; D19-M69 HydrophobicContact CB-CE 3.88Å; D19-M69 HydrophobicContact CB-SD 3.73Å |
| 20 | G | 98.8 | Very high | 98.9 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 8% | 0.084 | C | C | . | . | G | 310 helix | trans | -76.5 | -1.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | H17 L18 D296 P297 L298 | H17-G20 CarbonylContact O-C 3.45Å; H17-G20 PolarHBondContact O-N 3.44Å; L18-G20 VanDerWaalsContact C-N 3.27Å; G20-D296 WeakPolarHBondContact CA-OD1 3.47Å; G20-D296 CarbonylContact O-C 3.56Å; G20-D296 WeakPolarHBondContact O-CA 3.09Å; G20-P297 WeakPolarHBondContact O-CD 3.22Å; G20-L298 WeakPolarHBondContact O-CB 3.23Å; G20-L298 PolarHBondContact O-N 3.02Å |
| 21 | A | 98.8 | Very high | 98.8 | Very high | 8 Ų | 8 | 16.1 Ų | 16.1 | 7% | 0.066 | 8% | 0.075 | C | C | . | . | G | 310 helix | trans | -129.2 | 24.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | V16 H17 L18 D19 F86 M89 P297 | V16-A21 HydrophobicContact CG2-CB 4.36Å; H17-A21 WeakPolarHBondContact O-CB 3.32Å; H17-A21 PolarHBondContact O-N 3.42Å; H17-A21 VanDerWaalsContact O-N 3.11Å; L18-A21 PolarHBondContact O-N 3.36Å; L18-A21 VanDerWaalsContact O-N 3.17Å; D19-A21 VanDerWaalsContact C-N 3.3Å; D19-A21 PolarHBondContact O-N 3.39Å; A21-F86 HydrophobicContact CB-CD2 3.82Å; A21-F86 HydrophobicContact CB-CE2 3.98Å; A21-M89 WeakPolarHBondContact O-CE 3.28Å; A21-P297 HydrophobicContact CB-CG 3.66Å |
| 22 | I | 98.9 | Very high | 98.8 | Very high | 5 Ų | 5 | 24.4 Ų | 24.4 | 3% | 0.026 | 11% | 0.106 | C | C | . | . | trans | -79 | 138.8 | -176.5 | -54.8 | 175.7 | 0 | 0 | 0 | 111.2 | L18 T26 I27 Y68 I72 I82 L298 | L18-I22 WeakPolarHBondContact O-CG1 3.35Å; I22-T26 HydrophobicContact CG2-CG2 4.49Å; I22-I27 HydrophobicContact CB-CD1 4.14Å; I22-I27 HydrophobicContact CB-CG1 4.31Å; I22-I27 HydrophobicContact CG2-CD1 4.03Å; I22-I27 HydrophobicContact CG2-CG1 3.67Å; I22-Y68 HydrophobicContact CD1-CD2 4.37Å; I22-Y68 HydrophobicContact CD1-CE2 4.17Å; I22-I72 HydrophobicContact CD1-CB 4.5Å; I22-I72 HydrophobicContact CD1-CG1 4Å; I22-I72 HydrophobicContact CD1-CG2 4.22Å; I22-I82 HydrophobicContact CD1-CD1 3.95Å; I22-I82 HydrophobicContact CD1-CG2 4.33Å; I22-I82 HydrophobicContact CG1-CB 4.37Å; I22-I82 HydrophobicContact CG1-CD1 4.21Å; I22-I82 HydrophobicContact CG1-CG2 4.17Å; I22-I82 HydrophobicContact CG2-CG2 3.68Å; I22-L298 HydrophobicContact CB-CD2 4.35Å; I22-L298 WeakPolarHBondContact O-CD1 3.49Å | ||
| 23 | K | 98.8 | Very high | 98.8 | Very high | 33 Ų | 33 | 30.6 Ų | 30.6 | 14% | 0.143 | 13% | 0.129 | C | C | . | . | trans | -61.1 | 129.7 | 172.5 | -68.6 | -178.6 | -174.3 | 168.6 | 0 | 111.6 | E25 T26 I27 E85 E88 M89 | K23-E25 PolarHBondContact O-N 3.46Å; K23-T26 WeakPolarHBondContact O-CB 2.94Å; K23-T26 PolarHBondContact O-N 2.84Å; K23-I27 PolarHBondContact O-N 2.98Å; K23-I27 VanDerWaalsContact O-N 3.09Å; K23-E85 HydrophobicContact CD-CB 4.3Å; K23-E85 HydrophobicContact CD-CG 4.43Å; K23-E88 IonicContact NZ-OE2 3.74Å; K23-E88 PolarHBondContact NZ-OE2 2.99Å; K23-M89 HydrophobicContact CD-SD 4.03Å; K23-M89 VanDerWaalsContact CE-CG 3.5Å; K23-M89 WeakPolarHBondContact CE-SD 3.33Å; K23-M89 HydrophobicContact CG-CE 3.88Å; K23-M89 HydrophobicContact CG-SD 3.38Å; K23-M89 WeakPolarHBondContact CG-SD 3.45Å | ||
| 24 | P | 98.7 | Very high | 98.8 | Very high | 18 Ų | 18 | 34.4 Ų | 34.4 | 12% | 0.117 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -55.5 | -36.1 | 174.7 | -26.4 | 34.7 | 0 | 0 | 0 | 113.4 | T26 I27 L28 A43 L47 L298 | P24-T26 VanDerWaalsContact C-N 3.3Å; P24-T26 PolarHBondContact O-N 3.2Å; P24-I27 PolarHBondContact O-N 3.4Å; P24-L28 WeakPolarHBondContact O-CG 3.39Å; P24-L28 PolarHBondContact O-N 3.45Å; P24-A43 HydrophobicContact CB-CB 3.93Å; P24-L47 HydrophobicContact CB-CG 4.29Å; P24-L47 HydrophobicContact CG-CD1 4.01Å; P24-L47 HydrophobicContact CG-CD2 3.57Å; P24-L47 HydrophobicContact CG-CG 3.68Å; P24-L298 HydrophobicContact CG-CD1 3.83Å |
| 25 | E | 98.8 | Very high | 98.8 | Very high | 114 Ų | 114 | 37.8 Ų | 37.8 | 53% | 0.533 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -63.8 | -36.2 | 176.5 | -63.1 | 76.1 | -167.1 | 0 | 0 | 112 | K23 Y29 A43 | K23-E25 PolarHBondContact O-N 3.46Å; E25-Y29 WeakPolarHBondContact O-CB 3.39Å; E25-Y29 PolarHBondContact O-N 3Å; E25-A43 HydrophobicContact CG-CB 4.18Å; E25-A43 WeakPolarHBondContact OE1-CB 3.37Å |
| 26 | T | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.006 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -72.5 | -39.3 | 178 | -65.9 | 0 | 0 | 0 | 0 | 111.1 | I22 K23 P24 Y29 Y30 I82 E85 | I22-T26 HydrophobicContact CG2-CG2 4.49Å; K23-T26 WeakPolarHBondContact O-CB 2.94Å; K23-T26 PolarHBondContact O-N 2.84Å; P24-T26 VanDerWaalsContact C-N 3.3Å; P24-T26 PolarHBondContact O-N 3.2Å; T26-Y29 PolarHBondContact O-N 3.02Å; T26-Y30 HydrophobicContact CG2-CD2 3.72Å; T26-Y30 HydrophobicContact CG2-CE2 3.73Å; T26-Y30 WeakPolarHBondContact O-CD2 3.5Å; T26-Y30 PolarHBondContact O-N 3.45Å; T26-I82 HydrophobicContact CG2-CG2 4.05Å; T26-E85 WeakPolarHBondContact CB-OE2 3.05Å; T26-E85 PolarHBondContact OG1-OE1 2.99Å; T26-E85 PolarHBondContact OG1-OE2 2.91Å |
| 27 | I | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.6 | -51 | 171 | -67.9 | 161.1 | 0 | 0 | 0 | 110.3 | I22 K23 P24 Y29 Y30 G31 L38 L46 Y68 A71 I72 L298 | I22-I27 HydrophobicContact CB-CD1 4.14Å; I22-I27 HydrophobicContact CB-CG1 4.31Å; I22-I27 HydrophobicContact CG2-CD1 4.03Å; I22-I27 HydrophobicContact CG2-CG1 3.67Å; K23-I27 PolarHBondContact O-N 2.98Å; K23-I27 VanDerWaalsContact O-N 3.09Å; P24-I27 PolarHBondContact O-N 3.4Å; I27-Y29 VanDerWaalsContact C-N 3.32Å; I27-Y29 PolarHBondContact O-N 3.38Å; I27-Y30 PolarHBondContact O-N 3.16Å; I27-G31 PolarHBondContact O-N 3.11Å; I27-L38 HydrophobicContact CG2-CD1 3.97Å; I27-L38 HydrophobicContact CG2-CD2 3.74Å; I27-L46 HydrophobicContact CB-CD1 4.12Å; I27-L46 HydrophobicContact CG2-CD1 3.72Å; I27-Y68 HydrophobicContact CD1-CD2 3.9Å; I27-Y68 HydrophobicContact CD1-CG 3.93Å; I27-Y68 HydrophobicContact CG1-CD2 4.42Å; I27-A71 HydrophobicContact CG2-CB 4.4Å; I27-I72 HydrophobicContact CG1-CD1 4.48Å; I27-L298 HydrophobicContact CD1-CD2 3.7Å |
| 28 | L | 98.7 | Very high | 98.7 | Very high | 19 Ų | 19 | 45.6 Ų | 45.6 | 10% | 0.099 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.5 | -43.4 | 178.5 | -73.3 | 165.1 | 0 | 0 | 0 | 112.9 | P24 R32 L38 A43 L46 | P24-L28 WeakPolarHBondContact O-CG 3.39Å; P24-L28 PolarHBondContact O-N 3.45Å; L28-R32 WeakPolarHBondContact O-CB 3.32Å; L28-R32 PolarHBondContact O-N 3.03Å; L28-L38 HydrophobicContact CD2-CD1 4.04Å; L28-A43 HydrophobicContact CD1-CB 3.99Å; L28-L46 HydrophobicContact CD1-CD1 4.17Å; L28-L46 HydrophobicContact CD2-CD1 3.59Å; L28-L46 HydrophobicContact CD2-CG 3.94Å; L28-L46 HydrophobicContact CG-CD1 3.46Å; L28-L46 VanDerWaalsContact CG-CD1 3.46Å; L28-L46 HydrophobicContact CG-CG 4.25Å |
| 29 | Y | 98.9 | Very high | 98.7 | Very high | 98 Ų | 98 | 48.3 Ų | 48.3 | 38% | 0.384 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -59.8 | -50.9 | -179.6 | 172.9 | -94.1 | 0 | 0 | 0 | 110.8 | E25 T26 I27 R33 | E25-Y29 WeakPolarHBondContact O-CB 3.39Å; E25-Y29 PolarHBondContact O-N 3Å; T26-Y29 PolarHBondContact O-N 3.02Å; I27-Y29 VanDerWaalsContact C-N 3.32Å; I27-Y29 PolarHBondContact O-N 3.38Å; Y29-R33 VanDerWaalsContact O-CB 3.25Å; Y29-R33 WeakPolarHBondContact O-CB 3.38Å; Y29-R33 PolarHBondContact O-N 3.37Å; Y29-R33 WeakPolarHBondContact OH-CD 3.36Å; Y29-R33 PolarHBondContact OH-NH1 3.25Å |
| 30 | Y | 98.9 | Very high | 98.6 | Very high | 8 Ų | 8 | 49.1 Ų | 49.1 | 3% | 0.031 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -74.6 | -35 | -178.6 | -75.6 | -66 | 0 | 0 | 0 | 113.2 | T26 I27 R32 R33 R34 A71 I72 E77 A78 R81 | T26-Y30 HydrophobicContact CG2-CD2 3.72Å; T26-Y30 HydrophobicContact CG2-CE2 3.73Å; T26-Y30 WeakPolarHBondContact O-CD2 3.5Å; T26-Y30 PolarHBondContact O-N 3.45Å; I27-Y30 PolarHBondContact O-N 3.16Å; Y30-R32 VanDerWaalsContact C-N 3.33Å; Y30-R32 PolarHBondContact O-N 3.08Å; Y30-R33 PolarHBondContact O-N 2.9Å; Y30-R34 VanDerWaalsContact O-CB 3.25Å; Y30-R34 WeakPolarHBondContact O-CB 3.36Å; Y30-R34 VanDerWaalsContact O-CG 3.29Å; Y30-R34 WeakPolarHBondContact O-CG 3.46Å; Y30-R34 PolarHBondContact O-N 3.19Å; Y30-A71 WeakPolarHBondContact CB-O 3.44Å; Y30-I72 HydrophobicContact CD2-CD1 4.08Å; Y30-E77 HydrophobicContact CE1-CB 4.24Å; Y30-E77 VanDerWaalsContact OH-C 3.23Å; Y30-E77 PolarHBondContact OH-O 3.23Å; Y30-E77 VanDerWaalsContact OH-O 3.07Å; Y30-A78 HydrophobicContact CD1-CB 3.97Å; Y30-A78 HydrophobicContact CD2-CB 3.6Å; Y30-A78 HydrophobicContact CE1-CB 3.94Å; Y30-A78 VanDerWaalsContact CE2-CA 3.43Å; Y30-A78 HydrophobicContact CE2-CB 3.55Å; Y30-A78 HydrophobicContact CG-CB 3.81Å; Y30-A78 VanDerWaalsContact CZ-CA 3.41Å; Y30-A78 PolarHBondContact OH-N 3.31Å; Y30-R81 WeakPolarHBondContact OH-CD 3.38Å |
| 31 | G | 98.7 | Very high | 98.6 | Very high | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.01 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -56.3 | -48.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | I27 G35 I36 | I27-G31 PolarHBondContact O-N 3.11Å; G31-G35 PolarHBondContact O-N 2.72Å; G31-I36 CarbonylContact C-O 3.57Å; G31-I36 PolarHBondContact O-N 3.48Å |
| 32 | R | 98.4 | Very high | 98.6 | Very high | 183 Ų | 183 | 58.2 Ų | 58.2 | 69% | 0.691 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -65.3 | -47.9 | 175.9 | -172.1 | -177.7 | -60.8 | 142.7 | 4.3 | 112.5 | L28 Y30 R34 G35 | L28-R32 WeakPolarHBondContact O-CB 3.32Å; L28-R32 PolarHBondContact O-N 3.03Å; Y30-R32 VanDerWaalsContact C-N 3.33Å; Y30-R32 PolarHBondContact O-N 3.08Å; R32-R34 VanDerWaalsContact C-N 3.27Å; R32-R34 PolarHBondContact O-N 3.21Å; R32-G35 PolarHBondContact O-N 2.73Å |
| 33 | R | 98.6 | Very high | 98.5 | Very high | 130 Ų | 130 | 59 Ų | 59 | 49% | 0.491 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.2 | -33.4 | -176.6 | -178.7 | 171.2 | 174.7 | -167.8 | -13.9 | 112.4 | Y29 Y30 E77 | Y29-R33 VanDerWaalsContact O-CB 3.25Å; Y29-R33 WeakPolarHBondContact O-CB 3.38Å; Y29-R33 PolarHBondContact O-N 3.37Å; Y29-R33 WeakPolarHBondContact OH-CD 3.36Å; Y29-R33 PolarHBondContact OH-NH1 3.25Å; Y30-R33 PolarHBondContact O-N 2.9Å; R33-E77 IonicContact CZ-OE2 3.41Å; R33-E77 IonicContact NH1-OE2 3.18Å; R33-E77 PolarHBondContact NH1-OE2 3.4Å; R33-E77 VanDerWaalsContact NH2-CD 3.3Å; R33-E77 IonicContact NH2-OE1 3.09Å; R33-E77 PolarHBondContact NH2-OE1 3.46Å; R33-E77 IonicContact NH2-OE2 3.41Å; R33-E77 PolarHBondContact NH2-OE2 2.83Å |
| 34 | R | 98.4 | Very high | 98.5 | Very high | 80 Ų | 80 | 64.2 Ų | 64.2 | 30% | 0.302 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -95 | -4.9 | -178.8 | -61.5 | 174.7 | 66.2 | -171.3 | 1.8 | 113.6 | Y30 R32 I36 P70 A71 I72 A73 | Y30-R34 VanDerWaalsContact O-CB 3.25Å; Y30-R34 WeakPolarHBondContact O-CB 3.36Å; Y30-R34 VanDerWaalsContact O-CG 3.29Å; Y30-R34 WeakPolarHBondContact O-CG 3.46Å; Y30-R34 PolarHBondContact O-N 3.19Å; R32-R34 VanDerWaalsContact C-N 3.27Å; R32-R34 PolarHBondContact O-N 3.21Å; R34-I36 VanDerWaalsContact C-N 3.29Å; R34-I36 HydrophobicContact CB-CD1 3.95Å; R34-I36 HydrophobicContact CB-CG1 3.95Å; R34-I36 PolarHBondContact O-N 2.69Å; R34-P70 PolarHBondContact NH1-O 3.07Å; R34-A71 WeakPolarHBondContact CD-O 3.23Å; R34-A71 PolarHBondContact NH1-O 3.4Å; R34-I72 VanDerWaalsContact NH1-C 3.35Å; R34-I72 PolarHBondContact NH1-O 3.21Å; R34-A73 VanDerWaalsContact CZ-O 3.23Å; R34-A73 PolarHBondContact NH1-O 2.94Å; R34-A73 PolarHBondContact NH2-O 3.12Å |
| 35 | G | 98.4 | Very high | 98.4 | Very high | 71 Ų | 71 | 64.2 Ų | 64.2 | 73% | 0.732 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.7 | 27.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | G31 R32 | G31-G35 PolarHBondContact O-N 2.72Å; R32-G35 PolarHBondContact O-N 2.73Å |
| 36 | I | 98.6 | Very high | 98.4 | Very high | 48 Ų | 48 | 58.8 Ų | 58.8 | 25% | 0.246 | 32% | 0.319 | C | S | . | . | trans | -94.4 | 126.9 | 179.4 | -62.8 | 179.4 | 0 | 0 | 0 | 108.3 | G31 R34 P70 | G31-I36 CarbonylContact C-O 3.57Å; G31-I36 PolarHBondContact O-N 3.48Å; R34-I36 VanDerWaalsContact C-N 3.29Å; R34-I36 HydrophobicContact CB-CD1 3.95Å; R34-I36 HydrophobicContact CB-CG1 3.95Å; R34-I36 PolarHBondContact O-N 2.69Å; I36-P70 WeakPolarHBondContact CD1-O 3.46Å; I36-P70 HydrophobicContact CG2-CB 3.86Å | ||
| 37 | A | 98.3 | Very high | 98.3 | Very high | 95 Ų | 95 | 61.2 Ų | 61.2 | 79% | 0.785 | 33% | 0.331 | S | S | * | . | trans | -63.4 | 139.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 38 | L | 98.7 | Very high | 98.3 | Very high | 40 Ų | 40 | 66.5 Ų | 66.5 | 21% | 0.209 | 36% | 0.359 | C | S | . | . | trans | -124.6 | 152.3 | 174.9 | -75.1 | 174.7 | 0 | 0 | 0 | 109.1 | I27 L28 A40 L46 Y67 A71 | I27-L38 HydrophobicContact CG2-CD1 3.97Å; I27-L38 HydrophobicContact CG2-CD2 3.74Å; L28-L38 HydrophobicContact CD2-CD1 4.04Å; L38-A40 PolarHBondContact O-N 2.86Å; L38-L46 HydrophobicContact CB-CD2 4.26Å; L38-L46 HydrophobicContact CD1-CD1 4.45Å; L38-Y67 WeakPolarHBondContact CD2-O 3.35Å; L38-A71 HydrophobicContact CD2-CB 4.06Å | ||
| 39 | P | 98 | Very high | 98.2 | Very high | 57 Ų | 57 | 67.7 Ų | 67.7 | 37% | 0.37 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -73 | -7.6 | -178 | 31.9 | -37.9 | 0 | 0 | 0 | 113.5 | L46 V49 Y67 | P39-L46 HydrophobicContact CG-CD2 3.91Å; P39-V49 HydrophobicContact CB-CB 4.42Å; P39-V49 HydrophobicContact CB-CG1 3.86Å; P39-V49 HydrophobicContact CB-CG2 4.37Å; P39-V49 HydrophobicContact CG-CB 4.29Å; P39-V49 HydrophobicContact CG-CG1 3.89Å; P39-Y67 HydrophobicContact CB-CD1 4.03Å; P39-Y67 HydrophobicContact CB-CE1 4.49Å; P39-Y67 HydrophobicContact CG-CD1 3.79Å; P39-Y67 HydrophobicContact CG-CG 4.21Å |
| 40 | A | 98.3 | Very high | 98.1 | Very high | 22 Ų | 22 | 63.1 Ų | 63.1 | 18% | 0.182 | 35% | 0.349 | C | S | . | . | trans | -149.3 | 164.7 | 174 | 0 | 0 | 0 | 0 | 0 | 111.3 | L38 L46 | L38-A40 PolarHBondContact O-N 2.86Å; A40-L46 HydrophobicContact CB-CD2 3.94Å; A40-L46 HydrophobicContact CB-CG 4.12Å | ||
| 41 | N | 97.4 | Very high | 98 | Very high | 128 Ų | 128 | 63.1 Ų | 63.1 | 68% | 0.684 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -112.8 | 2.9 | -177.4 | 64.7 | -7.8 | 0 | 0 | 0 | 114.3 | ||
| 42 | T | 98.4 | Very high | 98 | Very high | 72 Ų | 72 | 63.3 Ų | 63.3 | 44% | 0.442 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -132.5 | 157.7 | 176.2 | 62.6 | 0 | 0 | 0 | 0 | 110.5 | G45 L46 | T42-G45 PolarHBondContact O-N 2.82Å; T42-G45 PolarHBondContact OG1-N 3.21Å; T42-G45 VanDerWaalsContact OG1-N 3.12Å; T42-L46 PolarHBondContact O-N 2.96Å |
| 43 | A | 97.8 | Very high | 97.8 | Very high | 20 Ų | 20 | 59.7 Ų | 59.7 | 17% | 0.165 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -65.7 | -44.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111 | P24 E25 L28 G45 L46 L47 | P24-A43 HydrophobicContact CB-CB 3.93Å; E25-A43 HydrophobicContact CG-CB 4.18Å; E25-A43 WeakPolarHBondContact OE1-CB 3.37Å; L28-A43 HydrophobicContact CD1-CB 3.99Å; A43-G45 VanDerWaalsContact C-N 3.35Å; A43-G45 PolarHBondContact O-N 3.35Å; A43-L46 PolarHBondContact O-N 3.34Å; A43-L47 WeakPolarHBondContact O-CG 3.5Å; A43-L47 PolarHBondContact O-N 2.95Å |
| 44 | E | 98.1 | Very high | 97.7 | Very high | 144 Ų | 144 | 61.1 Ų | 61.1 | 67% | 0.673 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -58.6 | -44.9 | 172.1 | -175.1 | -178 | 178.8 | 0 | 0 | 111.9 | L46 L47 N48 | E44-L46 VanDerWaalsContact C-N 3.32Å; E44-L46 PolarHBondContact O-N 3.46Å; E44-L47 PolarHBondContact O-N 2.89Å; E44-N48 VanDerWaalsContact O-CG 3.25Å; E44-N48 PolarHBondContact O-N 3.4Å; E44-N48 PolarHBondContact O-ND2 3.16Å |
| 45 | G | 98.2 | Very high | 97.7 | Very high | 18 Ų | 18 | 59.9 Ų | 59.9 | 19% | 0.186 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -61.5 | -39.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | T42 A43 N48 V49 | T42-G45 PolarHBondContact O-N 2.82Å; T42-G45 PolarHBondContact OG1-N 3.21Å; T42-G45 VanDerWaalsContact OG1-N 3.12Å; A43-G45 VanDerWaalsContact C-N 3.35Å; A43-G45 PolarHBondContact O-N 3.35Å; G45-N48 PolarHBondContact O-N 3.47Å; G45-V49 PolarHBondContact O-N 2.69Å |
| 46 | L | 97.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65 | -46.6 | 175 | -80.9 | -174.9 | 0 | 0 | 0 | 111.6 | I27 L28 L38 P39 A40 T42 A43 E44 N48 V49 I50 | I27-L46 HydrophobicContact CB-CD1 4.12Å; I27-L46 HydrophobicContact CG2-CD1 3.72Å; L28-L46 HydrophobicContact CD1-CD1 4.17Å; L28-L46 HydrophobicContact CD2-CD1 3.59Å; L28-L46 HydrophobicContact CD2-CG 3.94Å; L28-L46 HydrophobicContact CG-CD1 3.46Å; L28-L46 VanDerWaalsContact CG-CD1 3.46Å; L28-L46 HydrophobicContact CG-CG 4.25Å; L38-L46 HydrophobicContact CB-CD2 4.26Å; L38-L46 HydrophobicContact CD1-CD1 4.45Å; P39-L46 HydrophobicContact CG-CD2 3.91Å; A40-L46 HydrophobicContact CB-CD2 3.94Å; A40-L46 HydrophobicContact CB-CG 4.12Å; T42-L46 PolarHBondContact O-N 2.96Å; A43-L46 PolarHBondContact O-N 3.34Å; E44-L46 VanDerWaalsContact C-N 3.32Å; E44-L46 PolarHBondContact O-N 3.46Å; L46-N48 PolarHBondContact O-N 3.14Å; L46-V49 PolarHBondContact O-N 3.33Å; L46-I50 HydrophobicContact CB-CD1 4.18Å; L46-I50 HydrophobicContact CD2-CD1 4.23Å; L46-I50 WeakPolarHBondContact O-CB 3.14Å; L46-I50 WeakPolarHBondContact O-CG1 3.42Å; L46-I50 PolarHBondContact O-N 3.3Å |
| 47 | L | 97.4 | Very high | 97.6 | Very high | 51 Ų | 51 | 61 Ų | 61 | 27% | 0.267 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61 | -32.3 | 177.7 | -74 | 176.6 | 0 | 0 | 0 | 112.3 | P24 A43 E44 V49 G51 L298 K301 | P24-L47 HydrophobicContact CB-CG 4.29Å; P24-L47 HydrophobicContact CG-CD1 4.01Å; P24-L47 HydrophobicContact CG-CD2 3.57Å; P24-L47 HydrophobicContact CG-CG 3.68Å; A43-L47 WeakPolarHBondContact O-CG 3.5Å; A43-L47 PolarHBondContact O-N 2.95Å; E44-L47 PolarHBondContact O-N 2.89Å; L47-V49 VanDerWaalsContact C-N 3.29Å; L47-V49 PolarHBondContact O-N 2.97Å; L47-G51 VanDerWaalsContact O-CA 3.22Å; L47-G51 WeakPolarHBondContact O-CA 3.44Å; L47-G51 PolarHBondContact O-N 2.94Å; L47-L298 HydrophobicContact CD2-CD1 3.74Å; L47-K301 HydrophobicContact CD2-CG 4.47Å |
| 48 | N | 97.7 | Very high | 97.6 | Very high | 111 Ų | 111 | 56.8 Ų | 56.8 | 59% | 0.594 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -68.6 | -25.7 | 175 | -70.9 | -24.3 | 0 | 0 | 0 | 113.3 | E44 G45 L46 | E44-N48 VanDerWaalsContact O-CG 3.25Å; E44-N48 PolarHBondContact O-N 3.4Å; E44-N48 PolarHBondContact O-ND2 3.16Å; G45-N48 PolarHBondContact O-N 3.47Å; L46-N48 PolarHBondContact O-N 3.14Å |
| 49 | V | 97.5 | Very high | 97.5 | Very high | 45 Ų | 45 | 57.6 Ų | 57.6 | 27% | 0.273 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -92.6 | -49.2 | 178.4 | 177.5 | 0 | 0 | 0 | 0 | 111.6 | P39 G45 L46 L47 K64 Y67 | P39-V49 HydrophobicContact CB-CB 4.42Å; P39-V49 HydrophobicContact CB-CG1 3.86Å; P39-V49 HydrophobicContact CB-CG2 4.37Å; P39-V49 HydrophobicContact CG-CB 4.29Å; P39-V49 HydrophobicContact CG-CG1 3.89Å; G45-V49 PolarHBondContact O-N 2.69Å; L46-V49 PolarHBondContact O-N 3.33Å; L47-V49 VanDerWaalsContact C-N 3.29Å; L47-V49 PolarHBondContact O-N 2.97Å; V49-K64 PolarHBondContact O-NZ 3.43Å; V49-Y67 HydrophobicContact CG1-CD1 4.1Å; V49-Y67 HydrophobicContact CG1-CD2 4.38Å; V49-Y67 HydrophobicContact CG1-CE1 4Å; V49-Y67 HydrophobicContact CG1-CE2 4.32Å; V49-Y67 HydrophobicContact CG1-CG 4.29Å |
| 50 | I | 96.9 | Very high | 97.6 | Very high | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.005 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -73.2 | -43.4 | -176.4 | -62.5 | 167.8 | 0 | 0 | 0 | 109.8 | L46 K64 Y68 L298 I299 | L46-I50 HydrophobicContact CB-CD1 4.18Å; L46-I50 HydrophobicContact CD2-CD1 4.23Å; L46-I50 WeakPolarHBondContact O-CB 3.14Å; L46-I50 WeakPolarHBondContact O-CG1 3.42Å; L46-I50 PolarHBondContact O-N 3.3Å; I50-K64 VanDerWaalsContact O-CD 3.29Å; I50-K64 WeakPolarHBondContact O-CD 3.44Å; I50-K64 WeakPolarHBondContact O-CE 3.34Å; I50-Y68 HydrophobicContact CD1-CD1 3.75Å; I50-Y68 HydrophobicContact CD1-CG 4.16Å; I50-Y68 HydrophobicContact CG1-CD1 4.12Å; I50-Y68 HydrophobicContact CG2-CD1 3.88Å; I50-Y68 HydrophobicContact CG2-CE1 3.86Å; I50-L298 HydrophobicContact CG2-CG 4.29Å; I50-I299 HydrophobicContact CG2-CG1 3.93Å |
| 51 | G | 97.1 | Very high | 97.6 | Very high | 9 Ų | 9 | 58 Ų | 58 | 9% | 0.093 | 32% | 0.318 | C | S | . | . | trans | -67 | 155.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | L47 I299 | L47-G51 VanDerWaalsContact O-CA 3.22Å; L47-G51 WeakPolarHBondContact O-CA 3.44Å; L47-G51 PolarHBondContact O-N 2.94Å; G51-I299 CarbonylContact C-O 3.44Å; G51-I299 WeakPolarHBondContact CA-O 3.37Å | ||
| 52 | M | 97.4 | Very high | 97.6 | Very high | 5 Ų | 5 | 54.2 Ų | 54.2 | 3% | 0.025 | 30% | 0.298 | C | S | . | . | trans | -121.7 | 126.4 | 177.5 | -68.2 | 175 | 53.9 | 0 | 0 | 110.1 | L56 F61 K64 L268 I299 | M52-L56 HydrophobicContact CE-CB 3.71Å; M52-L56 HydrophobicContact CE-CD1 3.74Å; M52-L56 HydrophobicContact CE-CG 3.77Å; M52-L56 HydrophobicContact CG-CD1 4.37Å; M52-L56 HydrophobicContact SD-CD1 4.21Å; M52-F61 HydrophobicContact CE-CB 4.17Å; M52-F61 HydrophobicContact SD-CB 3.9Å; M52-F61 HydrophobicContact SD-CD2 4.12Å; M52-K64 HydrophobicContact SD-CG 4.15Å; M52-L268 HydrophobicContact CB-CD1 4.28Å; M52-L268 HydrophobicContact CB-CD2 4.48Å; M52-L268 HydrophobicContact CE-CB 4.34Å; M52-L268 WeakPolarHBondContact CE-O 3.32Å; M52-L268 WeakPolarHBondContact O-CD1 3.26Å; M52-I299 HydrophobicContact CG-CG2 4.04Å; M52-I299 PolarHBondContact N-O 3.31Å; M52-I299 HydrophobicContact SD-CG2 3.81Å | ||
| 53 | D | 95.2 | Very high | 97.6 | Very high | 107 Ų | 107 | 52.9 Ų | 52.9 | 57% | 0.572 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -109.8 | -7.6 | 174.8 | -68.1 | -56.6 | 0 | 0 | 0 | 113.1 | K301 | D53-K301 WeakPolarHBondContact OD1-CE 3.44Å; D53-K301 IonicContact OD1-NZ 2.86Å; D53-K301 PolarHBondContact OD1-NZ 3.22Å; D53-K301 IonicContact OD2-NZ 3.25Å; D53-K301 PolarHBondContact OD2-NZ 3.1Å |
| 54 | K | 96.9 | Very high | 97.6 | Very high | 160 Ų | 160 | 53.5 Ų | 53.5 | 70% | 0.696 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -137.8 | 150.2 | -175.8 | -67 | -176.4 | -179.2 | 178 | 0 | 109.4 | L56 | K54-L56 PolarHBondContact O-N 2.92Š|
| 55 | P | 97.5 | Very high | 97.7 | Very high | 53 Ų | 53 | 47.4 Ų | 47.4 | 34% | 0.344 | 27% | 0.265 | S | S | . | . | trans | -55.7 | 131.8 | 174.2 | -23.9 | 34.1 | 0 | 0 | 0 | 111.2 | Y267 L268 | P55-Y267 VanDerWaalsContact CB-O 3.29Å; P55-Y267 WeakPolarHBondContact CB-O 3.31Å; P55-Y267 WeakPolarHBondContact CD-OH 3.28Å; P55-Y267 HydrophobicContact CG-CD1 4.49Å; P55-Y267 HydrophobicContact CG-CD2 3.98Å; P55-Y267 HydrophobicContact CG-CE1 4.07Å; P55-Y267 HydrophobicContact CG-CE2 3.5Å; P55-Y267 HydrophobicContact CG-CG 4.46Å; P55-Y267 VanDerWaalsContact CG-O 3.3Å; P55-Y267 WeakPolarHBondContact CG-O 3.09Å; P55-L268 WeakPolarHBondContact CA-O 3.3Å | ||
| 56 | L | 97.9 | Very high | 97.7 | Very high | 77 Ų | 77 | 51.2 Ų | 51.2 | 40% | 0.403 | 28% | 0.281 | S | S | . | . | trans | -118 | -137.7 | 164.3 | -61.2 | 177.2 | 0 | 0 | 0 | 108.1 | M52 K54 D60 L268 | M52-L56 HydrophobicContact CE-CB 3.71Å; M52-L56 HydrophobicContact CE-CD1 3.74Å; M52-L56 HydrophobicContact CE-CG 3.77Å; M52-L56 HydrophobicContact CG-CD1 4.37Å; M52-L56 HydrophobicContact SD-CD1 4.21Å; K54-L56 PolarHBondContact O-N 2.92Å; L56-D60 HydrophobicContact CB-CB 3.74Å; L56-D60 HydrophobicContact CD1-CB 3.95Å; L56-D60 HydrophobicContact CG-CB 4.42Å; L56-L268 PolarHBondContact N-O 2.96Å | ||
| 57 | T | 98.1 | Very high | 97.7 | Very high | 66 Ų | 66 | 56.1 Ų | 56.1 | 41% | 0.405 | 30% | 0.3 | S | S | . | . | trans | -122.2 | 161.3 | 173.6 | 65.4 | 0 | 0 | 0 | 0 | 109.5 | P59 D60 F61 T269 | T57-P59 VanDerWaalsContact C-N 3.35Å; T57-D60 PolarHBondContact O-N 3.38Å; T57-D60 VanDerWaalsContact O-N 3.14Å; T57-D60 PolarHBondContact OG1-N 3.05Å; T57-D60 PolarHBondContact OG1-OD2 2.9Å; T57-F61 PolarHBondContact O-N 2.84Å; T57-T269 CarbonylContact C-O 3.55Å; T57-T269 WeakPolarHBondContact CA-O 3.45Å | ||
| 58 | L | 97.1 | Very high | 97.8 | Very high | 7 Ų | 7 | 53.7 Ų | 53.7 | 4% | 0.037 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -53.1 | -45.5 | 173.8 | 179.1 | 71.3 | 0 | 0 | 0 | 112.3 | D60 F61 L62 E186 V218 T269 | L58-D60 PolarHBondContact O-N 2.87Å; L58-F61 HydrophobicContact CD1-CD1 3.83Å; L58-F61 HydrophobicContact CD1-CE1 4.23Å; L58-F61 WeakPolarHBondContact O-CB 3.23Å; L58-F61 PolarHBondContact O-N 2.97Å; L58-L62 HydrophobicContact CD1-CD1 4.39Å; L58-L62 HydrophobicContact CD1-CG 4.35Å; L58-L62 HydrophobicContact CG-CD1 4.05Å; L58-L62 HydrophobicContact CG-CG 4.41Å; L58-L62 WeakPolarHBondContact O-CG 3.34Å; L58-L62 PolarHBondContact O-N 2.96Å; L58-E186 HydrophobicContact CD2-CB 4.29Å; L58-V218 HydrophobicContact CB-CG1 4.04Å; L58-V218 HydrophobicContact CB-CG2 4.25Å; L58-V218 HydrophobicContact CD2-CG2 3.58Å; L58-T269 PolarHBondContact N-O 2.78Å |
| 59 | P | 97.9 | Very high | 97.9 | Very high | 56 Ų | 56 | 48.4 Ų | 48.4 | 36% | 0.364 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.8 | -40.9 | 174.3 | -27.1 | 36.5 | 0 | 0 | 0 | 114.7 | T57 F61 L62 A63 | T57-P59 VanDerWaalsContact C-N 3.35Å; P59-F61 VanDerWaalsContact C-N 3.31Å; P59-F61 PolarHBondContact O-N 2.78Å; P59-L62 PolarHBondContact O-N 2.91Å; P59-A63 WeakPolarHBondContact O-CB 3.42Å; P59-A63 PolarHBondContact O-N 2.99Å |
| 60 | D | 98.2 | Very high | 97.9 | Very high | 79 Ų | 79 | 47.7 Ų | 47.7 | 42% | 0.422 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -66.6 | -35.3 | 177.7 | -67.3 | -42.9 | 0 | 0 | 0 | 112 | L56 T57 L58 | L56-D60 HydrophobicContact CB-CB 3.74Å; L56-D60 HydrophobicContact CD1-CB 3.95Å; L56-D60 HydrophobicContact CG-CB 4.42Å; T57-D60 PolarHBondContact O-N 3.38Å; T57-D60 VanDerWaalsContact O-N 3.14Å; T57-D60 PolarHBondContact OG1-N 3.05Å; T57-D60 PolarHBondContact OG1-OD2 2.9Å; L58-D60 PolarHBondContact O-N 2.87Å |
| 61 | F | 98.6 | Very high | 98 | Very high | 9 Ų | 9 | 47.7 Ų | 47.7 | 4% | 0.039 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.9 | -49.6 | 171.5 | 153.5 | -98.9 | 0 | 0 | 0 | 111 | M52 T57 L58 P59 A63 K64 F65 T269 D296 I299 F300 | M52-F61 HydrophobicContact CE-CB 4.17Å; M52-F61 HydrophobicContact SD-CB 3.9Å; M52-F61 HydrophobicContact SD-CD2 4.12Å; T57-F61 PolarHBondContact O-N 2.84Å; L58-F61 HydrophobicContact CD1-CD1 3.83Å; L58-F61 HydrophobicContact CD1-CE1 4.23Å; L58-F61 WeakPolarHBondContact O-CB 3.23Å; L58-F61 PolarHBondContact O-N 2.97Å; P59-F61 VanDerWaalsContact C-N 3.31Å; P59-F61 PolarHBondContact O-N 2.78Å; F61-A63 PolarHBondContact O-N 3.14Å; F61-K64 WeakPolarHBondContact O-CB 3.49Å; F61-K64 VanDerWaalsContact O-CG 3.26Å; F61-K64 WeakPolarHBondContact O-CG 3.19Å; F61-K64 PolarHBondContact O-N 3.09Å; F61-F65 HydrophobicContact CE1-CE2 4.22Å; F61-F65 HydrophobicContact CE2-CE2 4.19Å; F61-F65 AromaticContact CZ-CE2 3.76Å; F61-F65 HydrophobicContact CZ-CE2 3.76Å; F61-F65 HydrophobicContact CZ-CZ 4.28Å; F61-T269 HydrophobicContact CB-CG2 4.28Å; F61-T269 HydrophobicContact CD1-CG2 4.19Å; F61-T269 HydrophobicContact CD2-CG2 4.5Å; F61-T269 HydrophobicContact CG-CG2 4.05Å; F61-D296 HydrophobicContact CE2-CB 3.87Å; F61-D296 HydrophobicContact CZ-CB 4.03Å; F61-D296 VanDerWaalsContact CZ-CG 3.48Å; F61-D296 VanDerWaalsContact CZ-OD2 3.23Å; F61-D296 WeakPolarHBondContact CZ-OD2 3.38Å; F61-I299 HydrophobicContact CD2-CB 4.43Å; F61-I299 HydrophobicContact CD2-CD1 4.26Å; F61-I299 HydrophobicContact CD2-CG2 3.74Å; F61-I299 HydrophobicContact CE2-CB 4.1Å; F61-I299 HydrophobicContact CE2-CD1 3.63Å; F61-I299 HydrophobicContact CE2-CG1 4.48Å; F61-I299 HydrophobicContact CE2-CG2 3.92Å; F61-I299 HydrophobicContact CZ-CD1 4.3Å; F61-F300 AromaticContact CD2-CE1 3.46Å; F61-F300 HydrophobicContact CD2-CE1 3.46Å; F61-F300 VanDerWaalsContact CD2-CE1 3.46Å; F61-F300 AromaticContact CD2-CZ 3.56Å; F61-F300 HydrophobicContact CD2-CZ 3.56Å; F61-F300 AromaticContact CE2-CE1 3.63Å; F61-F300 HydrophobicContact CE2-CE1 3.63Å; F61-F300 HydrophobicContact CE2-CE2 4.06Å; F61-F300 AromaticContact CE2-CZ 3.31Å; F61-F300 HydrophobicContact CE2-CZ 3.31Å; F61-F300 HydrophobicContact CG-CE1 4.36Å; F61-F300 HydrophobicContact CG-CZ 4.35Å; F61-F300 AromaticContact CZ-CZ 3.92Å; F61-F300 HydrophobicContact CZ-CZ 3.92Å |
| 62 | L | 98.2 | Very high | 98.1 | Very high | 48 Ų | 48 | 47.2 Ų | 47.2 | 25% | 0.251 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.2 | -33.6 | 179.2 | -71.1 | 171.4 | 0 | 0 | 0 | 111.9 | L58 P59 K64 F65 D185 | L58-L62 HydrophobicContact CD1-CD1 4.39Å; L58-L62 HydrophobicContact CD1-CG 4.35Å; L58-L62 HydrophobicContact CG-CD1 4.05Å; L58-L62 HydrophobicContact CG-CG 4.41Å; L58-L62 WeakPolarHBondContact O-CG 3.34Å; L58-L62 PolarHBondContact O-N 2.96Å; P59-L62 PolarHBondContact O-N 2.91Å; L62-K64 PolarHBondContact O-N 2.89Å; L62-K64 VanDerWaalsContact O-N 3.14Å; L62-F65 VanDerWaalsContact O-CD2 3.32Å; L62-F65 WeakPolarHBondContact O-CD2 3.49Å; L62-F65 PolarHBondContact O-N 2.78Å; L62-D185 HydrophobicContact CD1-CB 4.03Å |
| 63 | A | 98.3 | Very high | 98.2 | Very high | 45 Ų | 45 | 47 Ų | 47 | 37% | 0.372 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -13.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | P59 F61 F65 D66 | P59-A63 WeakPolarHBondContact O-CB 3.42Å; P59-A63 PolarHBondContact O-N 2.99Å; F61-A63 PolarHBondContact O-N 3.14Å; A63-F65 VanDerWaalsContact C-N 3.25Å; A63-F65 PolarHBondContact O-N 3.28Å; A63-D66 WeakPolarHBondContact O-CB 3.36Å; A63-D66 PolarHBondContact O-N 2.82Å |
| 64 | K | 98.6 | Very high | 98.3 | Very high | 33 Ų | 33 | 42.5 Ų | 42.5 | 14% | 0.143 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -26.2 | 175.5 | -62.8 | -59.9 | -162 | 165.2 | 0 | 112.9 | V49 I50 M52 F61 L62 D66 Y67 Y68 I299 | V49-K64 PolarHBondContact O-NZ 3.43Å; I50-K64 VanDerWaalsContact O-CD 3.29Å; I50-K64 WeakPolarHBondContact O-CD 3.44Å; I50-K64 WeakPolarHBondContact O-CE 3.34Å; M52-K64 HydrophobicContact SD-CG 4.15Å; F61-K64 WeakPolarHBondContact O-CB 3.49Å; F61-K64 VanDerWaalsContact O-CG 3.26Å; F61-K64 WeakPolarHBondContact O-CG 3.19Å; F61-K64 PolarHBondContact O-N 3.09Å; L62-K64 PolarHBondContact O-N 2.89Å; L62-K64 VanDerWaalsContact O-N 3.14Å; K64-D66 VanDerWaalsContact C-N 3.25Å; K64-D66 PolarHBondContact O-N 2.76Å; K64-Y67 HydrophobicContact CD-CD2 4.26Å; K64-Y67 HydrophobicContact CD-CE2 4.04Å; K64-Y67 WeakPolarHBondContact O-CD2 3.44Å; K64-Y67 PolarHBondContact O-N 3.42Å; K64-Y68 WeakPolarHBondContact O-CD1 3.33Å; K64-Y68 WeakPolarHBondContact O-CE1 3.34Å; K64-I299 HydrophobicContact CB-CD1 4.04Å; K64-I299 HydrophobicContact CB-CG1 4.23Å; K64-I299 HydrophobicContact CB-CG2 4.15Å; K64-I299 HydrophobicContact CG-CG2 3.98Å |
| 65 | F | 98.8 | Very high | 98.4 | Very high | 15 Ų | 15 | 36 Ų | 36 | 7% | 0.066 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -63.6 | -32 | 179.8 | -73.9 | -102.9 | 0 | 0 | 0 | 112.2 | D19 F61 L62 A63 Y67 Y68 M69 W117 D296 I299 | D19-F65 HydrophobicContact CB-CE1 4.13Å; F61-F65 HydrophobicContact CE1-CE2 4.22Å; F61-F65 HydrophobicContact CE2-CE2 4.19Å; F61-F65 AromaticContact CZ-CE2 3.76Å; F61-F65 HydrophobicContact CZ-CE2 3.76Å; F61-F65 HydrophobicContact CZ-CZ 4.28Å; L62-F65 VanDerWaalsContact O-CD2 3.32Å; L62-F65 WeakPolarHBondContact O-CD2 3.49Å; L62-F65 PolarHBondContact O-N 2.78Å; A63-F65 VanDerWaalsContact C-N 3.25Å; A63-F65 PolarHBondContact O-N 3.28Å; F65-Y67 PolarHBondContact O-N 3.37Å; F65-Y67 VanDerWaalsContact O-N 3.07Å; F65-Y68 HydrophobicContact CD1-CE2 4.47Å; F65-Y68 AromaticContact CD1-CZ 3.86Å; F65-Y68 WeakPolarHBondContact CD1-OH 3.4Å; F65-Y68 WeakPolarHBondContact CE1-OH 3.27Å; F65-Y68 PolarHBondContact O-N 2.89Å; F65-M69 HydrophobicContact CB-CG 3.93Å; F65-M69 HydrophobicContact CD1-CG 4Å; F65-M69 HydrophobicContact CD1-SD 4.37Å; F65-M69 HydrophobicContact CG-CG 4.48Å; F65-M69 VanDerWaalsContact O-CB 3.32Å; F65-M69 WeakPolarHBondContact O-CB 3.47Å; F65-M69 VanDerWaalsContact O-CG 3.31Å; F65-M69 WeakPolarHBondContact O-CG 2.99Å; F65-M69 PolarHBondContact O-N 3.32Å; F65-W117 HydrophobicContact CB-CH2 3.96Å; F65-W117 HydrophobicContact CB-CZ3 4.45Å; F65-D296 VanDerWaalsContact CZ-OD1 3.29Å; F65-D296 WeakPolarHBondContact CZ-OD1 3.47Å; F65-I299 HydrophobicContact CD2-CD1 3.77Å; F65-I299 HydrophobicContact CE1-CD1 4.48Å; F65-I299 HydrophobicContact CE2-CD1 3.36Å; F65-I299 HydrophobicContact CZ-CD1 3.78Å |
| 66 | D | 98.5 | Very high | 98.5 | Very high | 99 Ų | 99 | 37.2 Ų | 37.2 | 53% | 0.529 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -55.1 | -29.1 | 177.9 | -67.3 | 11 | 0 | 0 | 0 | 113 | A63 K64 P70 W117 | A63-D66 WeakPolarHBondContact O-CB 3.36Å; A63-D66 PolarHBondContact O-N 2.82Å; K64-D66 VanDerWaalsContact C-N 3.25Å; K64-D66 PolarHBondContact O-N 2.76Å; D66-P70 WeakPolarHBondContact O-CD 3.43Å; D66-P70 WeakPolarHBondContact O-CG 3.2Å; D66-W117 WeakPolarHBondContact OD1-CZ3 3.29Å |
| 67 | Y | 98.7 | Very high | 98.5 | Very high | 102 Ų | 102 | 38.6 Ų | 38.6 | 40% | 0.4 | 21% | 0.205 | S | C | . | . | G | 310 helix | trans | -72.6 | -28.5 | -176.4 | -71.7 | -62.5 | 0 | 0 | 0 | 114.2 | L38 P39 V49 K64 F65 | L38-Y67 WeakPolarHBondContact CD2-O 3.35Å; P39-Y67 HydrophobicContact CB-CD1 4.03Å; P39-Y67 HydrophobicContact CB-CE1 4.49Å; P39-Y67 HydrophobicContact CG-CD1 3.79Å; P39-Y67 HydrophobicContact CG-CG 4.21Å; V49-Y67 HydrophobicContact CG1-CD1 4.1Å; V49-Y67 HydrophobicContact CG1-CD2 4.38Å; V49-Y67 HydrophobicContact CG1-CE1 4Å; V49-Y67 HydrophobicContact CG1-CE2 4.32Å; V49-Y67 HydrophobicContact CG1-CG 4.29Å; K64-Y67 HydrophobicContact CD-CD2 4.26Å; K64-Y67 HydrophobicContact CD-CE2 4.04Å; K64-Y67 WeakPolarHBondContact O-CD2 3.44Å; K64-Y67 PolarHBondContact O-N 3.42Å; F65-Y67 PolarHBondContact O-N 3.37Å; F65-Y67 VanDerWaalsContact O-N 3.07Å |
| 68 | Y | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -132.6 | -25.4 | -168.4 | 66.7 | -94.7 | 0 | 0 | 0 | 114.6 | D19 I22 I27 I50 K64 F65 P70 A71 L298 I299 | D19-Y68 VanDerWaalsContact O-CE2 3.25Å; D19-Y68 WeakPolarHBondContact O-CE2 3.28Å; D19-Y68 PolarHBondContact O-OH 3.25Å; I22-Y68 HydrophobicContact CD1-CD2 4.37Å; I22-Y68 HydrophobicContact CD1-CE2 4.17Å; I27-Y68 HydrophobicContact CD1-CD2 3.9Å; I27-Y68 HydrophobicContact CD1-CG 3.93Å; I27-Y68 HydrophobicContact CG1-CD2 4.42Å; I50-Y68 HydrophobicContact CD1-CD1 3.75Å; I50-Y68 HydrophobicContact CD1-CG 4.16Å; I50-Y68 HydrophobicContact CG1-CD1 4.12Å; I50-Y68 HydrophobicContact CG2-CD1 3.88Å; I50-Y68 HydrophobicContact CG2-CE1 3.86Å; K64-Y68 WeakPolarHBondContact O-CD1 3.33Å; K64-Y68 WeakPolarHBondContact O-CE1 3.34Å; F65-Y68 HydrophobicContact CD1-CE2 4.47Å; F65-Y68 AromaticContact CD1-CZ 3.86Å; F65-Y68 WeakPolarHBondContact CD1-OH 3.4Å; F65-Y68 WeakPolarHBondContact CE1-OH 3.27Å; F65-Y68 PolarHBondContact O-N 2.89Å; Y68-P70 VanDerWaalsContact C-N 3.32Å; Y68-A71 WeakPolarHBondContact O-CB 3.33Å; Y68-A71 PolarHBondContact O-N 3.01Å; Y68-L298 HydrophobicContact CD1-CD2 4.35Å; Y68-L298 HydrophobicContact CD2-CD2 4.3Å; Y68-L298 HydrophobicContact CE1-CD2 4.03Å; Y68-L298 HydrophobicContact CE2-CD2 4Å; Y68-L298 HydrophobicContact CG-CD2 4.47Å; Y68-I299 HydrophobicContact CE1-CD1 4.37Å; Y68-I299 HydrophobicContact CE1-CG1 4.36Å |
| 69 | M | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -55.7 | -38.5 | 176.8 | -72.8 | -63.2 | -78.4 | 0 | 0 | 113.8 | D19 F65 A71 I72 A73 L106 L107 W117 | D19-M69 HydrophobicContact CB-CE 3.88Å; D19-M69 HydrophobicContact CB-SD 3.73Å; F65-M69 HydrophobicContact CB-CG 3.93Å; F65-M69 HydrophobicContact CD1-CG 4Å; F65-M69 HydrophobicContact CD1-SD 4.37Å; F65-M69 HydrophobicContact CG-CG 4.48Å; F65-M69 VanDerWaalsContact O-CB 3.32Å; F65-M69 WeakPolarHBondContact O-CB 3.47Å; F65-M69 VanDerWaalsContact O-CG 3.31Å; F65-M69 WeakPolarHBondContact O-CG 2.99Å; F65-M69 PolarHBondContact O-N 3.32Å; M69-A71 PolarHBondContact O-N 3.26Å; M69-A71 VanDerWaalsContact O-N 3.14Å; M69-I72 PolarHBondContact O-N 3.34Å; M69-A73 WeakPolarHBondContact O-CB 3.3Å; M69-A73 PolarHBondContact O-N 2.76Å; M69-L106 HydrophobicContact CE-CB 4.26Å; M69-L107 HydrophobicContact CE-CD2 3.7Å; M69-L107 HydrophobicContact CE-CG 4.37Å; M69-W117 HydrophobicContact CB-CD2 3.73Å; M69-W117 VanDerWaalsContact CB-CE2 3.47Å; M69-W117 HydrophobicContact CB-CE3 4.15Å; M69-W117 HydrophobicContact CB-CG 4.24Å; M69-W117 HydrophobicContact CB-CH2 4.11Å; M69-W117 HydrophobicContact CB-CZ2 3.68Å; M69-W117 HydrophobicContact CB-CZ3 4.32Å; M69-W117 HydrophobicContact CE-CZ2 3.9Å; M69-W117 HydrophobicContact CG-CH2 4.07Å; M69-W117 HydrophobicContact CG-CZ2 3.73Å |
| 70 | P | 98.8 | Very high | 98.7 | Very high | 31 Ų | 31 | 35 Ų | 35 | 20% | 0.201 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -54.4 | -34.7 | 174.5 | -25 | 31.3 | 0 | 0 | 0 | 113.7 | R34 I36 D66 Y68 I72 W117 | R34-P70 PolarHBondContact NH1-O 3.07Å; I36-P70 WeakPolarHBondContact CD1-O 3.46Å; I36-P70 HydrophobicContact CG2-CB 3.86Å; D66-P70 WeakPolarHBondContact O-CD 3.43Å; D66-P70 WeakPolarHBondContact O-CG 3.2Å; Y68-P70 VanDerWaalsContact C-N 3.32Å; P70-I72 PolarHBondContact O-N 3.36Å; P70-W117 HydrophobicContact CB-CB 4.5Å; P70-W117 HydrophobicContact CG-CB 4.13Å |
| 71 | A | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -69.1 | -20.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113 | I27 Y30 R34 L38 Y68 M69 | I27-A71 HydrophobicContact CG2-CB 4.4Å; Y30-A71 WeakPolarHBondContact CB-O 3.44Å; R34-A71 WeakPolarHBondContact CD-O 3.23Å; R34-A71 PolarHBondContact NH1-O 3.4Å; L38-A71 HydrophobicContact CD2-CB 4.06Å; Y68-A71 WeakPolarHBondContact O-CB 3.33Å; Y68-A71 PolarHBondContact O-N 3.01Å; M69-A71 PolarHBondContact O-N 3.26Å; M69-A71 VanDerWaalsContact O-N 3.14Å |
| 72 | I | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -110.6 | -50.4 | -170.7 | -57.9 | -62.5 | 0 | 0 | 0 | 111.8 | I22 I27 Y30 R34 M69 P70 C75 A78 I82 L107 | I22-I72 HydrophobicContact CD1-CB 4.5Å; I22-I72 HydrophobicContact CD1-CG1 4Å; I22-I72 HydrophobicContact CD1-CG2 4.22Å; I27-I72 HydrophobicContact CG1-CD1 4.48Å; Y30-I72 HydrophobicContact CD2-CD1 4.08Å; R34-I72 VanDerWaalsContact NH1-C 3.35Å; R34-I72 PolarHBondContact NH1-O 3.21Å; M69-I72 PolarHBondContact O-N 3.34Å; P70-I72 PolarHBondContact O-N 3.36Å; I72-C75 WeakPolarHBondContact O-CB 3.2Å; I72-C75 PolarHBondContact O-N 3.07Å; I72-A78 HydrophobicContact CD1-CB 4.24Å; I72-A78 HydrophobicContact CG2-CB 4.22Å; I72-I82 HydrophobicContact CG2-CD1 3.92Å; I72-L107 HydrophobicContact CG2-CD2 4.1Å |
| 73 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | 141.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | R34 M69 C75 L106 W117 Q119 | R34-A73 VanDerWaalsContact CZ-O 3.23Å; R34-A73 PolarHBondContact NH1-O 2.94Å; R34-A73 PolarHBondContact NH2-O 3.12Å; M69-A73 WeakPolarHBondContact O-CB 3.3Å; M69-A73 PolarHBondContact O-N 2.76Å; A73-C75 VanDerWaalsContact C-N 3.28Å; A73-C75 PolarHBondContact O-N 3.39Å; A73-L106 WeakPolarHBondContact CB-O 3.5Å; A73-W117 VanDerWaalsContact CB-CD1 3.48Å; A73-Q119 PolarHBondContact O-OE1 2.91Å; A73-Q119 VanDerWaalsContact O-OE1 3.08Å |
| 74 | G | 98.8 | Very high | 98.8 | Very high | 13 Ų | 13 | 33.8 Ų | 33.8 | 13% | 0.134 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.7 | 5.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | L107 N109 | G74-L107 PolarHBondContact N-O 2.8Å; G74-N109 VanDerWaalsContact CA-ND2 3.31Å; G74-N109 WeakPolarHBondContact CA-ND2 3.46Å; G74-N109 PolarHBondContact O-ND2 3.34Å |
| 75 | C | 98.9 | Very high | 98.9 | Very high | 22 Ų | 22 | 33 Ų | 33 | 15% | 0.149 | 15% | 0.152 | C | C | . | . | trans | -117 | 110.6 | 177.7 | -177.4 | 0 | 0 | 0 | 0 | 112.1 | I72 A73 E77 A78 I79 | I72-C75 WeakPolarHBondContact O-CB 3.2Å; I72-C75 PolarHBondContact O-N 3.07Å; A73-C75 VanDerWaalsContact C-N 3.28Å; A73-C75 PolarHBondContact O-N 3.39Å; C75-E77 PolarHBondContact O-N 2.89Å; C75-A78 HydrophobicContact CB-CB 3.8Å; C75-A78 PolarHBondContact O-N 2.94Å; C75-A78 VanDerWaalsContact O-N 3.12Å; C75-I79 WeakPolarHBondContact O-CG1 3.45Å; C75-I79 PolarHBondContact O-N 3.43Å | ||
| 76 | R | 98.9 | Very high | 98.9 | Very high | 79 Ų | 79 | 32.4 Ų | 32.4 | 30% | 0.298 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -55.9 | -46.6 | -179.2 | -63.3 | -177.7 | 170.7 | 72.8 | 8.3 | 113.5 | A78 I79 K80 D123 L124 E128 L132 | R76-A78 VanDerWaalsContact C-N 3.32Å; R76-A78 PolarHBondContact O-N 3.27Å; R76-I79 PolarHBondContact O-N 2.59Å; R76-K80 PolarHBondContact O-N 3.5Å; R76-K80 VanDerWaalsContact O-N 3.16Å; R76-D123 IonicContact CZ-OD1 3.71Å; R76-D123 IonicContact NH1-OD1 3.63Å; R76-D123 PolarHBondContact NH1-OD1 3.2Å; R76-D123 IonicContact NH1-OD2 3.24Å; R76-D123 PolarHBondContact NH2-O 2.56Å; R76-D123 IonicContact NH2-OD1 2.75Å; R76-D123 PolarHBondContact NH2-OD1 2.72Å; R76-D123 VanDerWaalsContact NH2-OD1 3.14Å; R76-D123 IonicContact NH2-OD2 3.53Å; R76-L124 HydrophobicContact CG-CD1 3.95Å; R76-L124 HydrophobicContact CG-CD2 4.17Å; R76-E128 WeakPolarHBondContact CD-OE1 3.44Å; R76-E128 IonicContact CZ-OE1 3.18Å; R76-E128 IonicContact CZ-OE2 3.47Å; R76-E128 VanDerWaalsContact NE-CD 3.28Å; R76-E128 IonicContact NE-OE1 3.98Å; R76-E128 PolarHBondContact NE-OE1 2.84Å; R76-E128 IonicContact NE-OE2 3.94Å; R76-E128 PolarHBondContact NE-OE2 2.95Å; R76-E128 IonicContact NH2-OE1 3.14Å; R76-E128 IonicContact NH2-OE2 2.7Å; R76-E128 PolarHBondContact NH2-OE2 3.26Å; R76-L132 HydrophobicContact CB-CD1 3.87Å; R76-L132 HydrophobicContact CB-CD2 4.44Å; R76-L132 HydrophobicContact CG-CD1 3.85Å |
| 77 | E | 98.9 | Very high | 98.9 | Very high | 106 Ų | 106 | 27.7 Ų | 27.7 | 50% | 0.495 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -63.3 | -38.1 | 178.7 | -67.7 | -176.8 | -157.9 | 0 | 0 | 112 | Y30 R33 C75 R81 | Y30-E77 HydrophobicContact CE1-CB 4.24Å; Y30-E77 VanDerWaalsContact OH-C 3.23Å; Y30-E77 PolarHBondContact OH-O 3.23Å; Y30-E77 VanDerWaalsContact OH-O 3.07Å; R33-E77 IonicContact CZ-OE2 3.41Å; R33-E77 IonicContact NH1-OE2 3.18Å; R33-E77 PolarHBondContact NH1-OE2 3.4Å; R33-E77 VanDerWaalsContact NH2-CD 3.3Å; R33-E77 IonicContact NH2-OE1 3.09Å; R33-E77 PolarHBondContact NH2-OE1 3.46Å; R33-E77 IonicContact NH2-OE2 3.41Å; R33-E77 PolarHBondContact NH2-OE2 2.83Å; C75-E77 PolarHBondContact O-N 2.89Å; E77-R81 WeakPolarHBondContact O-CB 3.39Å; E77-R81 PolarHBondContact O-N 2.88Å; E77-R81 VanDerWaalsContact O-N 3.13Å |
| 78 | A | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -67.1 | -48 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y30 I72 C75 R76 K80 R81 I82 | Y30-A78 HydrophobicContact CD1-CB 3.97Å; Y30-A78 HydrophobicContact CD2-CB 3.6Å; Y30-A78 HydrophobicContact CE1-CB 3.94Å; Y30-A78 VanDerWaalsContact CE2-CA 3.43Å; Y30-A78 HydrophobicContact CE2-CB 3.55Å; Y30-A78 HydrophobicContact CG-CB 3.81Å; Y30-A78 VanDerWaalsContact CZ-CA 3.41Å; Y30-A78 PolarHBondContact OH-N 3.31Å; I72-A78 HydrophobicContact CD1-CB 4.24Å; I72-A78 HydrophobicContact CG2-CB 4.22Å; C75-A78 HydrophobicContact CB-CB 3.8Å; C75-A78 PolarHBondContact O-N 2.94Å; C75-A78 VanDerWaalsContact O-N 3.12Å; R76-A78 VanDerWaalsContact C-N 3.32Å; R76-A78 PolarHBondContact O-N 3.27Å; A78-K80 PolarHBondContact O-N 3.05Å; A78-R81 PolarHBondContact O-N 3.2Å; A78-R81 VanDerWaalsContact O-N 3.15Å; A78-I82 WeakPolarHBondContact O-CG2 3.2Å; A78-I82 PolarHBondContact O-N 3.04Å |
| 79 | I | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.9 | -47.1 | -176.9 | -69.7 | 161.6 | 0 | 0 | 0 | 111.8 | C75 R76 R81 I82 A83 L107 L124 V129 L132 V133 | C75-I79 WeakPolarHBondContact O-CG1 3.45Å; C75-I79 PolarHBondContact O-N 3.43Å; R76-I79 PolarHBondContact O-N 2.59Å; I79-R81 VanDerWaalsContact C-N 3.31Å; I79-R81 PolarHBondContact O-N 2.95Å; I79-I82 VanDerWaalsContact O-CG1 3.23Å; I79-I82 WeakPolarHBondContact O-CG1 3.36Å; I79-A83 PolarHBondContact O-N 3.37Å; I79-L107 HydrophobicContact CD1-CB 4.01Å; I79-L107 HydrophobicContact CG1-CB 4.33Å; I79-L107 HydrophobicContact CG1-CD2 4.41Å; I79-L124 HydrophobicContact CD1-CD2 3.48Å; I79-L124 VanDerWaalsContact CD1-CD2 3.48Å; I79-V129 HydrophobicContact CD1-CG2 4.09Å; I79-V129 HydrophobicContact CG2-CG1 4.08Å; I79-L132 HydrophobicContact CG2-CB 3.89Å; I79-V133 HydrophobicContact CG2-CG2 3.61Å |
| 80 | K | 98.9 | Very high | 98.9 | Very high | 54 Ų | 54 | 27.2 Ų | 27.2 | 24% | 0.235 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.8 | -40.8 | 175.5 | -177.5 | 172.7 | 177.7 | 170.5 | 0 | 111.5 | R76 A78 A83 Y84 L132 Q135 E139 | R76-K80 PolarHBondContact O-N 3.5Å; R76-K80 VanDerWaalsContact O-N 3.16Å; A78-K80 PolarHBondContact O-N 3.05Å; K80-A83 PolarHBondContact O-N 3.32Å; K80-Y84 PolarHBondContact O-N 2.65Å; K80-Y84 VanDerWaalsContact O-N 3.16Å; K80-L132 HydrophobicContact CB-CB 4.46Å; K80-L132 HydrophobicContact CB-CD2 4.39Å; K80-Q135 HydrophobicContact CD-CB 4.25Å; K80-E139 VanDerWaalsContact CE-CD 3.4Å; K80-E139 VanDerWaalsContact CE-OE1 3.23Å; K80-E139 WeakPolarHBondContact CE-OE1 3.44Å; K80-E139 WeakPolarHBondContact CE-OE2 3.29Å; K80-E139 IonicContact NZ-OE1 2.69Å; K80-E139 PolarHBondContact NZ-OE1 2.69Å; K80-E139 IonicContact NZ-OE2 2.71Å; K80-E139 PolarHBondContact NZ-OE2 2.78Å |
| 81 | R | 98.9 | Very high | 98.9 | Very high | 83 Ų | 83 | 27.3 Ų | 27.3 | 31% | 0.313 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -66.2 | -43.9 | -178 | 178.8 | 170.1 | 173.6 | -169.1 | -5 | 112.9 | Y30 E77 A78 I79 A83 Y84 E85 | Y30-R81 WeakPolarHBondContact OH-CD 3.38Å; E77-R81 WeakPolarHBondContact O-CB 3.39Å; E77-R81 PolarHBondContact O-N 2.88Å; E77-R81 VanDerWaalsContact O-N 3.13Å; A78-R81 PolarHBondContact O-N 3.2Å; A78-R81 VanDerWaalsContact O-N 3.15Å; I79-R81 VanDerWaalsContact C-N 3.31Å; I79-R81 PolarHBondContact O-N 2.95Å; R81-A83 VanDerWaalsContact C-N 3.26Å; R81-A83 PolarHBondContact O-N 2.88Å; R81-Y84 PolarHBondContact O-N 3.27Å; R81-E85 HydrophobicContact CG-CG 4.13Å; R81-E85 IonicContact CZ-OE1 2.79Å; R81-E85 VanDerWaalsContact CZ-OE1 3.25Å; R81-E85 IonicContact NE-OE1 3.61Å; R81-E85 PolarHBondContact NE-OE1 3.34Å; R81-E85 IonicContact NE-OE2 3.82Å; R81-E85 IonicContact NH2-OE1 2.69Å; R81-E85 PolarHBondContact NH2-OE1 2.89Å; R81-E85 WeakPolarHBondContact O-CB 3.32Å; R81-E85 WeakPolarHBondContact O-CG 3.43Å; R81-E85 PolarHBondContact O-N 3Å |
| 82 | I | 98.9 | Very high | 98.9 | Very high | 4 Ų | 4 | 34.2 Ų | 34.2 | 2% | 0.021 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.8 | -35.7 | 179.8 | 63.9 | 175.8 | 0 | 0 | 0 | 111.2 | L18 I22 T26 I72 A78 I79 F86 | L18-I82 HydrophobicContact CD1-CG1 4.35Å; L18-I82 HydrophobicContact CD2-CD1 4.26Å; L18-I82 HydrophobicContact CD2-CG1 4.29Å; L18-I82 HydrophobicContact CG-CD1 4.11Å; L18-I82 HydrophobicContact CG-CG1 4.28Å; I22-I82 HydrophobicContact CD1-CD1 3.95Å; I22-I82 HydrophobicContact CD1-CG2 4.33Å; I22-I82 HydrophobicContact CG1-CB 4.37Å; I22-I82 HydrophobicContact CG1-CD1 4.21Å; I22-I82 HydrophobicContact CG1-CG2 4.17Å; I22-I82 HydrophobicContact CG2-CG2 3.68Å; T26-I82 HydrophobicContact CG2-CG2 4.05Å; I72-I82 HydrophobicContact CG2-CD1 3.92Å; A78-I82 WeakPolarHBondContact O-CG2 3.2Å; A78-I82 PolarHBondContact O-N 3.04Å; I79-I82 VanDerWaalsContact O-CG1 3.23Å; I79-I82 WeakPolarHBondContact O-CG1 3.36Å; I82-F86 WeakPolarHBondContact O-CB 3.43Å; I82-F86 PolarHBondContact O-N 3.31Å |
| 83 | A | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.4 | -42.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L18 I79 K80 R81 V133 L137 | L18-A83 HydrophobicContact CD2-CB 4.28Å; I79-A83 PolarHBondContact O-N 3.37Å; K80-A83 PolarHBondContact O-N 3.32Å; R81-A83 VanDerWaalsContact C-N 3.26Å; R81-A83 PolarHBondContact O-N 2.88Å; A83-V133 HydrophobicContact CB-CB 4.38Å; A83-V133 HydrophobicContact CB-CG1 3.97Å; A83-L137 HydrophobicContact CB-CD2 4.1Å; A83-L137 HydrophobicContact CB-CG 4.16Å |
| 84 | Y | 98.9 | Very high | 98.8 | Very high | 68 Ų | 68 | 37.1 Ų | 37.1 | 27% | 0.267 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -64.9 | -48.2 | 174.4 | 178.8 | -90.8 | 0 | 0 | 0 | 112.5 | K80 R81 F86 I87 E88 G136 E139 D143 F144 | K80-Y84 PolarHBondContact O-N 2.65Å; K80-Y84 VanDerWaalsContact O-N 3.16Å; R81-Y84 PolarHBondContact O-N 3.27Å; Y84-F86 VanDerWaalsContact C-N 3.28Å; Y84-F86 PolarHBondContact O-N 3.17Å; Y84-I87 PolarHBondContact O-N 3.18Å; Y84-E88 PolarHBondContact O-N 3.08Å; Y84-G136 WeakPolarHBondContact CA-O 3.05Å; Y84-E139 HydrophobicContact CD2-CB 3.77Å; Y84-E139 HydrophobicContact CE2-CB 4.11Å; Y84-D143 HydrophobicContact CE2-CB 4.33Å; Y84-D143 WeakPolarHBondContact CE2-OD2 3.43Å; Y84-D143 PolarHBondContact OH-OD2 3.07Å; Y84-F144 HydrophobicContact CD1-CE2 4.3Å; Y84-F144 HydrophobicContact CD2-CE2 4.45Å; Y84-F144 AromaticContact CE1-CE2 3.7Å; Y84-F144 HydrophobicContact CE1-CE2 3.7Å; Y84-F144 AromaticContact CE1-CZ 3.73Å; Y84-F144 HydrophobicContact CE1-CZ 3.73Å; Y84-F144 AromaticContact CE2-CE2 3.88Å; Y84-F144 HydrophobicContact CE2-CE2 3.88Å; Y84-F144 HydrophobicContact CE2-CZ 4.4Å; Y84-F144 AromaticContact CZ-CE2 3.48Å; Y84-F144 VanDerWaalsContact CZ-CE2 3.48Å; Y84-F144 AromaticContact CZ-CZ 3.58Å; Y84-F144 VanDerWaalsContact OH-CZ 3.32Å; Y84-F144 WeakPolarHBondContact OH-CZ 3.38Å |
| 85 | E | 98.9 | Very high | 98.9 | Very high | 18 Ų | 18 | 36.7 Ų | 36.7 | 8% | 0.084 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.6 | -31.1 | -180 | -75.1 | -178.3 | 164.9 | 0 | 0 | 112.6 | K23 T26 R81 I87 E88 M89 | K23-E85 HydrophobicContact CD-CB 4.3Å; K23-E85 HydrophobicContact CD-CG 4.43Å; T26-E85 WeakPolarHBondContact CB-OE2 3.05Å; T26-E85 PolarHBondContact OG1-OE1 2.99Å; T26-E85 PolarHBondContact OG1-OE2 2.91Å; R81-E85 HydrophobicContact CG-CG 4.13Å; R81-E85 IonicContact CZ-OE1 2.79Å; R81-E85 VanDerWaalsContact CZ-OE1 3.25Å; R81-E85 IonicContact NE-OE1 3.61Å; R81-E85 PolarHBondContact NE-OE1 3.34Å; R81-E85 IonicContact NE-OE2 3.82Å; R81-E85 IonicContact NH2-OE1 2.69Å; R81-E85 PolarHBondContact NH2-OE1 2.89Å; R81-E85 WeakPolarHBondContact O-CB 3.32Å; R81-E85 WeakPolarHBondContact O-CG 3.43Å; R81-E85 PolarHBondContact O-N 3Å; E85-I87 VanDerWaalsContact C-N 3.33Å; E85-I87 PolarHBondContact O-N 2.81Å; E85-E88 WeakPolarHBondContact O-CB 3.37Å; E85-E88 PolarHBondContact O-N 3.01Å; E85-M89 WeakPolarHBondContact O-CG 3.48Å; E85-M89 PolarHBondContact O-N 3.19Å |
| 86 | F | 98.9 | Very high | 98.9 | Very high | 1 Ų | 1 | 37 Ų | 37 | 0% | 0.004 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -57.7 | -46.2 | 174.1 | 171.8 | -98.9 | 0 | 0 | 0 | 111.3 | V16 L18 A21 I82 Y84 E88 M89 K90 V98 V100 L137 | V16-F86 HydrophobicContact CG1-CE2 4.13Å; V16-F86 HydrophobicContact CG1-CZ 3.66Å; V16-F86 HydrophobicContact CG2-CE2 3.81Å; V16-F86 HydrophobicContact CG2-CZ 4.22Å; L18-F86 HydrophobicContact CD1-CB 3.71Å; L18-F86 HydrophobicContact CD1-CD2 4.27Å; L18-F86 HydrophobicContact CD1-CG 3.93Å; A21-F86 HydrophobicContact CB-CD2 3.82Å; A21-F86 HydrophobicContact CB-CE2 3.98Å; I82-F86 WeakPolarHBondContact O-CB 3.43Å; I82-F86 PolarHBondContact O-N 3.31Å; Y84-F86 VanDerWaalsContact C-N 3.28Å; Y84-F86 PolarHBondContact O-N 3.17Å; F86-E88 PolarHBondContact O-N 3.03Å; F86-M89 PolarHBondContact O-N 3Å; F86-K90 HydrophobicContact CD2-CG 4.36Å; F86-K90 HydrophobicContact CE1-CG 4.03Å; F86-K90 HydrophobicContact CE2-CD 4.33Å; F86-K90 HydrophobicContact CE2-CG 3.87Å; F86-K90 HydrophobicContact CZ-CD 4.33Å; F86-K90 HydrophobicContact CZ-CG 3.68Å; F86-K90 WeakPolarHBondContact O-CG 3.24Å; F86-K90 PolarHBondContact O-N 2.63Å; F86-V98 HydrophobicContact CE1-CG1 3.85Å; F86-V98 HydrophobicContact CE1-CG2 3.89Å; F86-V98 HydrophobicContact CZ-CG1 4.48Å; F86-V98 HydrophobicContact CZ-CG2 3.7Å; F86-V100 HydrophobicContact CD1-CB 4.21Å; F86-V100 HydrophobicContact CD1-CG1 4.35Å; F86-V100 HydrophobicContact CD1-CG2 4.13Å; F86-V100 HydrophobicContact CD2-CG2 4.3Å; F86-V100 HydrophobicContact CE1-CB 3.5Å; F86-V100 HydrophobicContact CE1-CG1 4.02Å; F86-V100 HydrophobicContact CE1-CG2 3.67Å; F86-V100 HydrophobicContact CE2-CB 4.48Å; F86-V100 HydrophobicContact CE2-CG2 3.82Å; F86-V100 HydrophobicContact CG-CG2 4.44Å; F86-V100 HydrophobicContact CZ-CB 3.66Å; F86-V100 HydrophobicContact CZ-CG2 3.48Å; F86-V100 VanDerWaalsContact CZ-CG2 3.48Å; F86-L137 HydrophobicContact CD1-CD2 4.18Å |
| 87 | I | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.6 | -39.8 | 178.6 | -57.9 | -54 | 0 | 0 | 0 | 112 | Y84 E85 M89 K90 A91 V98 L137 G140 F144 V146 A148 | Y84-I87 PolarHBondContact O-N 3.18Å; E85-I87 VanDerWaalsContact C-N 3.33Å; E85-I87 PolarHBondContact O-N 2.81Å; I87-M89 VanDerWaalsContact C-N 3.25Å; I87-M89 PolarHBondContact O-N 3.38Å; I87-K90 PolarHBondContact O-N 2.76Å; I87-A91 WeakPolarHBondContact O-CB 3.41Å; I87-A91 PolarHBondContact O-N 3.34Å; I87-V98 HydrophobicContact CD1-CG1 3.86Å; I87-L137 HydrophobicContact CD1-CD2 3.88Å; I87-L137 HydrophobicContact CG1-CD2 3.92Å; I87-G140 VanDerWaalsContact CG2-C 3.48Å; I87-G140 WeakPolarHBondContact CG2-O 3.29Å; I87-F144 HydrophobicContact CB-CD2 4.33Å; I87-F144 HydrophobicContact CG2-CB 4.2Å; I87-F144 HydrophobicContact CG2-CD2 4.07Å; I87-V146 HydrophobicContact CG2-CB 3.9Å; I87-V146 HydrophobicContact CG2-CG2 4.47Å; I87-A148 HydrophobicContact CD1-CB 3.38Å; I87-A148 HydrophobicContact CG1-CB 4.13Å |
| 88 | E | 98.9 | Very high | 98.9 | Very high | 48 Ų | 48 | 28.2 Ų | 28.2 | 22% | 0.224 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -56.4 | -41.2 | 172.7 | -169.1 | -156 | 163.6 | 0 | 0 | 111.9 | K23 Y84 E85 F86 K92 F144 | K23-E88 IonicContact NZ-OE2 3.74Å; K23-E88 PolarHBondContact NZ-OE2 2.99Å; Y84-E88 PolarHBondContact O-N 3.08Å; E85-E88 WeakPolarHBondContact O-CB 3.37Å; E85-E88 PolarHBondContact O-N 3.01Å; F86-E88 PolarHBondContact O-N 3.03Å; E88-K92 WeakPolarHBondContact O-CG 3.47Å; E88-K92 IonicContact OE1-NZ 3.46Å; E88-K92 PolarHBondContact OE1-NZ 2.86Å; E88-F144 HydrophobicContact CB-CD1 4.46Å; E88-F144 HydrophobicContact CB-CD2 4Å; E88-F144 HydrophobicContact CB-CE1 4.07Å; E88-F144 HydrophobicContact CB-CE2 3.56Å; E88-F144 HydrophobicContact CB-CG 4.44Å; E88-F144 HydrophobicContact CB-CZ 3.6Å; E88-F144 HydrophobicContact CG-CD1 4.23Å; E88-F144 HydrophobicContact CG-CE1 3.67Å; E88-F144 HydrophobicContact CG-CE2 4.09Å; E88-F144 HydrophobicContact CG-CZ 3.58Å |
| 89 | M | 98.8 | Very high | 98.9 | Very high | 43 Ų | 43 | 28.2 Ų | 28.2 | 21% | 0.212 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -70.6 | -46.3 | 179.5 | -70.7 | -173.5 | -62.3 | 0 | 0 | 111.7 | A21 K23 E85 F86 I87 A91 K92 E93 | A21-M89 WeakPolarHBondContact O-CE 3.28Å; K23-M89 HydrophobicContact CD-SD 4.03Å; K23-M89 VanDerWaalsContact CE-CG 3.5Å; K23-M89 WeakPolarHBondContact CE-SD 3.33Å; K23-M89 HydrophobicContact CG-CE 3.88Å; K23-M89 HydrophobicContact CG-SD 3.38Å; K23-M89 WeakPolarHBondContact CG-SD 3.45Å; E85-M89 WeakPolarHBondContact O-CG 3.48Å; E85-M89 PolarHBondContact O-N 3.19Å; F86-M89 PolarHBondContact O-N 3Å; I87-M89 VanDerWaalsContact C-N 3.25Å; I87-M89 PolarHBondContact O-N 3.38Å; M89-A91 VanDerWaalsContact C-N 3.28Å; M89-A91 PolarHBondContact O-N 3.49Å; M89-K92 WeakPolarHBondContact O-CB 3.45Å; M89-K92 PolarHBondContact O-N 3.27Å; M89-E93 PolarHBondContact O-N 3.4Å |
| 90 | K | 98.8 | Very high | 98.9 | Very high | 2 Ų | 2 | 28.2 Ų | 28.2 | 1% | 0.009 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.7 | -31.5 | 179.7 | -66.7 | -59.7 | 178.6 | 176.6 | 0 | 113.1 | E13 F86 I87 K92 E93 V95 T294 | E13-K90 VanDerWaalsContact CD-NZ 3.35Å; E13-K90 IonicContact OE1-NZ 2.76Å; E13-K90 PolarHBondContact OE1-NZ 2.87Å; E13-K90 VanDerWaalsContact OE2-CD 3.28Å; E13-K90 WeakPolarHBondContact OE2-CD 3.29Å; E13-K90 WeakPolarHBondContact OE2-CE 3.32Å; E13-K90 IonicContact OE2-NZ 2.63Å; E13-K90 PolarHBondContact OE2-NZ 3.31Å; F86-K90 HydrophobicContact CD2-CG 4.36Å; F86-K90 HydrophobicContact CE1-CG 4.03Å; F86-K90 HydrophobicContact CE2-CD 4.33Å; F86-K90 HydrophobicContact CE2-CG 3.87Å; F86-K90 HydrophobicContact CZ-CD 4.33Å; F86-K90 HydrophobicContact CZ-CG 3.68Å; F86-K90 WeakPolarHBondContact O-CG 3.24Å; F86-K90 PolarHBondContact O-N 2.63Å; I87-K90 PolarHBondContact O-N 2.76Å; K90-K92 VanDerWaalsContact C-N 3.27Å; K90-K92 PolarHBondContact O-N 2.97Å; K90-E93 IonicContact NZ-OE1 3.83Å; K90-E93 IonicContact NZ-OE2 3.37Å; K90-E93 PolarHBondContact NZ-OE2 2.98Å; K90-E93 PolarHBondContact O-N 3.33Å; K90-E93 VanDerWaalsContact O-N 3.1Å; K90-V95 HydrophobicContact CB-CB 4.09Å; K90-V95 HydrophobicContact CB-CG1 4.46Å; K90-V95 HydrophobicContact CB-CG2 4.3Å; K90-V95 HydrophobicContact CD-CG2 4.31Å; K90-V95 WeakPolarHBondContact O-CB 3.42Å; K90-V95 PolarHBondContact O-N 3.43Å; K90-V95 VanDerWaalsContact O-N 3.17Å; K90-T294 PolarHBondContact NZ-OG1 2.83Å |
| 91 | A | 98.8 | Very high | 98.9 | Very high | 33 Ų | 33 | 25.6 Ų | 25.6 | 27% | 0.273 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -57.9 | -38.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | I87 M89 E93 G94 F144 V146 | I87-A91 WeakPolarHBondContact O-CB 3.41Å; I87-A91 PolarHBondContact O-N 3.34Å; M89-A91 VanDerWaalsContact C-N 3.28Å; M89-A91 PolarHBondContact O-N 3.49Å; A91-E93 PolarHBondContact O-N 3.39Å; A91-G94 PolarHBondContact O-N 2.97Å; A91-G94 VanDerWaalsContact O-N 3.14Å; A91-F144 HydrophobicContact CB-CB 4.05Å; A91-V146 HydrophobicContact CB-CG2 3.62Å |
| 92 | K | 98.6 | Very high | 98.9 | Very high | 145 Ų | 145 | 21.7 Ų | 21.7 | 63% | 0.63 | 11% | 0.112 | S | C | * | . | H | α-helix | trans | -69.7 | -19.8 | 178.8 | -63.1 | 168.2 | -171.6 | 170.7 | 0 | 112.9 | E88 M89 K90 G94 | E88-K92 WeakPolarHBondContact O-CG 3.47Å; E88-K92 IonicContact OE1-NZ 3.46Å; E88-K92 PolarHBondContact OE1-NZ 2.86Å; M89-K92 WeakPolarHBondContact O-CB 3.45Å; M89-K92 PolarHBondContact O-N 3.27Å; K90-K92 VanDerWaalsContact C-N 3.27Å; K90-K92 PolarHBondContact O-N 2.97Å; K92-G94 VanDerWaalsContact C-N 3.3Å |
| 93 | E | 98.6 | Very high | 98.9 | Very high | 35 Ų | 35 | 21.5 Ų | 21.5 | 16% | 0.164 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -0.5 | 176.2 | -62.6 | 175.2 | -135.4 | 0 | 0 | 112.2 | K11 M89 K90 A91 V95 L304 | K11-E93 PolarHBondContact NZ-O 3.32Å; M89-E93 PolarHBondContact O-N 3.4Å; K90-E93 IonicContact NZ-OE1 3.83Å; K90-E93 IonicContact NZ-OE2 3.37Å; K90-E93 PolarHBondContact NZ-OE2 2.98Å; K90-E93 PolarHBondContact O-N 3.33Å; K90-E93 VanDerWaalsContact O-N 3.1Å; A91-E93 PolarHBondContact O-N 3.39Å; E93-V95 VanDerWaalsContact C-N 3.3Å; E93-V95 HydrophobicContact CB-CG2 4.13Å; E93-L304 HydrophobicContact CB-CB 4.5Å; E93-L304 WeakPolarHBondContact OE2-CB 3.34Å; E93-L304 PolarHBondContact OE2-N 3.34Å |
| 94 | G | 98.6 | Very high | 98.9 | Very high | 26 Ų | 26 | 21.5 Ų | 21.5 | 27% | 0.268 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.9 | 21.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | P10 K11 A91 K92 | P10-G94 CarbonylContact C-O 3.48Å; P10-G94 VanDerWaalsContact CA-O 3.27Å; P10-G94 WeakPolarHBondContact CA-O 3.04Å; K11-G94 PolarHBondContact N-O 3.46Å; A91-G94 PolarHBondContact O-N 2.97Å; A91-G94 VanDerWaalsContact O-N 3.14Å; K92-G94 VanDerWaalsContact C-N 3.3Å |
| 95 | V | 98.9 | Very high | 98.9 | Very high | 4 Ų | 4 | 18.3 Ų | 18.3 | 2% | 0.024 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 136.3 | 173.3 | 179.5 | 0 | 0 | 0 | 0 | 109.3 | K11 K90 E93 Y97 V98 V146 L304 | K11-V95 HydrophobicContact CB-CG2 4.45Å; K11-V95 WeakPolarHBondContact O-CA 3.34Å; K90-V95 HydrophobicContact CB-CB 4.09Å; K90-V95 HydrophobicContact CB-CG1 4.46Å; K90-V95 HydrophobicContact CB-CG2 4.3Å; K90-V95 HydrophobicContact CD-CG2 4.31Å; K90-V95 WeakPolarHBondContact O-CB 3.42Å; K90-V95 PolarHBondContact O-N 3.43Å; K90-V95 VanDerWaalsContact O-N 3.17Å; E93-V95 VanDerWaalsContact C-N 3.3Å; E93-V95 HydrophobicContact CB-CG2 4.13Å; V95-Y97 VanDerWaalsContact CG1-O 3.23Å; V95-Y97 WeakPolarHBondContact CG1-O 3.41Å; V95-V98 HydrophobicContact CG1-CB 4Å; V95-V146 HydrophobicContact CG1-CG1 4.2Å; V95-V146 VanDerWaalsContact O-CG2 3.28Å; V95-V146 WeakPolarHBondContact O-CG2 3.12Å; V95-L304 HydrophobicContact CG2-CD2 3.87Å |
| 96 | V | 98.9 | Very high | 98.9 | Very high | 28 Ų | 28 | 18.3 Ų | 18.3 | 17% | 0.17 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | -19.8 | 177.2 | -66 | 0 | 0 | 0 | 0 | 113 | P10 K11 K147 L343 L346 L347 | P10-V96 HydrophobicContact CB-CB 4.48Å; P10-V96 HydrophobicContact CB-CG1 3.71Å; P10-V96 HydrophobicContact CB-CG2 3.9Å; P10-V96 HydrophobicContact CG-CG1 4.24Å; K11-V96 WeakPolarHBondContact O-CG2 3.35Å; K11-V96 PolarHBondContact O-N 3.33Å; V96-K147 PolarHBondContact O-N 3.14Å; V96-L343 HydrophobicContact CG2-CD1 4.07Å; V96-L346 HydrophobicContact CB-CD2 4.18Å; V96-L346 HydrophobicContact CG1-CD2 4.16Å; V96-L346 HydrophobicContact CG2-CD2 3.92Å; V96-L347 HydrophobicContact CG2-CD2 4.03Å |
| 97 | Y | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 133.2 | 171.1 | 176.4 | -113 | 0 | 0 | 0 | 110.4 | V12 E13 L14 V95 E99 K147 R149 L335 L343 | V12-Y97 WeakPolarHBondContact CA-O 3.38Å; V12-Y97 HydrophobicContact CG1-CD1 3.74Å; E13-Y97 PolarHBondContact N-O 3.17Å; E13-Y97 VanDerWaalsContact N-O 3.09Å; L14-Y97 HydrophobicContact CD2-CD1 4.21Å; L14-Y97 HydrophobicContact CD2-CE1 3.78Å; V95-Y97 VanDerWaalsContact CG1-O 3.23Å; V95-Y97 WeakPolarHBondContact CG1-O 3.41Å; Y97-E99 HydrophobicContact CE1-CG 3.75Å; Y97-E99 WeakPolarHBondContact CE1-OE1 3.49Å; Y97-E99 WeakPolarHBondContact OH-CG 3.25Å; Y97-E99 PolarHBondContact OH-OE1 3.1Å; Y97-K147 WeakPolarHBondContact CA-O 3.42Å; Y97-K147 HydrophobicContact CD2-CB 3.96Å; Y97-K147 HydrophobicContact CD2-CD 4.17Å; Y97-K147 HydrophobicContact CD2-CG 3.81Å; Y97-K147 WeakPolarHBondContact CD2-O 3.42Å; Y97-K147 HydrophobicContact CE2-CD 4.43Å; Y97-K147 HydrophobicContact CE2-CG 4.16Å; Y97-R149 HydrophobicContact CE2-CB 4.36Å; Y97-R149 HydrophobicContact CE2-CG 3.85Å; Y97-L335 HydrophobicContact CD2-CD1 3.95Å; Y97-L335 HydrophobicContact CD2-CG 4.44Å; Y97-L335 HydrophobicContact CE1-CD1 4.29Å; Y97-L335 HydrophobicContact CE1-CG 4.35Å; Y97-L335 HydrophobicContact CE2-CD1 3.63Å; Y97-L335 HydrophobicContact CE2-CD2 3.69Å; Y97-L335 HydrophobicContact CE2-CG 3.63Å; Y97-L335 HydrophobicContact CG-CD1 4.38Å; Y97-L335 WeakPolarHBondContact OH-CG 3.49Å; Y97-L343 HydrophobicContact CD1-CD2 3.61Å; Y97-L343 HydrophobicContact CD2-CD2 4.43Å; Y97-L343 HydrophobicContact CE1-CD2 4.45Å; Y97-L343 HydrophobicContact CG-CD2 3.61Å |
| 98 | V | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 137 | 178.1 | 65.2 | 0 | 0 | 0 | 0 | 112.5 | E13 V16 F86 I87 V95 V146 K147 A148 R149 | E13-V98 HydrophobicContact CB-CG2 4.26Å; E13-V98 VanDerWaalsContact O-CA 3.27Å; E13-V98 WeakPolarHBondContact O-CA 3.28Å; V16-V98 HydrophobicContact CG1-CG2 3.67Å; F86-V98 HydrophobicContact CE1-CG1 3.85Å; F86-V98 HydrophobicContact CE1-CG2 3.89Å; F86-V98 HydrophobicContact CZ-CG1 4.48Å; F86-V98 HydrophobicContact CZ-CG2 3.7Å; I87-V98 HydrophobicContact CD1-CG1 3.86Å; V95-V98 HydrophobicContact CG1-CB 4Å; V98-V146 HydrophobicContact CG1-CG1 4.25Å; V98-K147 PolarHBondContact N-O 3.09Å; V98-A148 HydrophobicContact CG1-CB 4.26Å; V98-R149 PolarHBondContact O-N 3.05Å |
| 99 | E | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 106.5 | 165.1 | -68.6 | 173.2 | -166.1 | 0 | 0 | 109 | E13 L14 Y97 R149 I151 V178 R235 S333 F334 | E13-E99 PolarHBondContact O-N 3.03Å; L14-E99 HydrophobicContact CD2-CG 4.19Å; Y97-E99 HydrophobicContact CE1-CG 3.75Å; Y97-E99 WeakPolarHBondContact CE1-OE1 3.49Å; Y97-E99 WeakPolarHBondContact OH-CG 3.25Å; Y97-E99 PolarHBondContact OH-OE1 3.1Å; E99-R149 WeakPolarHBondContact CA-O 3.38Å; E99-R149 HydrophobicContact CG-CB 4.25Å; E99-I151 HydrophobicContact CB-CD1 3.97Å; E99-I151 HydrophobicContact CB-CG1 4.28Å; E99-V178 HydrophobicContact CG-CG2 4.34Å; E99-R235 IonicContact OE1-NH1 3.23Å; E99-R235 PolarHBondContact OE1-NH1 3.17Å; E99-R235 IonicContact OE2-CZ 3.51Å; E99-R235 IonicContact OE2-NH1 3.81Å; E99-R235 PolarHBondContact OE2-NH1 2.81Å; E99-R235 IonicContact OE2-NH2 2.9Å; E99-R235 PolarHBondContact OE2-NH2 3.49Å; E99-S333 WeakPolarHBondContact OE1-CA 3.23Å; E99-F334 PolarHBondContact OE1-N 2.85Å; E99-F334 WeakPolarHBondContact OE2-CD2 3.17Å |
| 100 | V | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 133.5 | -179.7 | 69.6 | 0 | 0 | 0 | 0 | 110.8 | V16 L18 F86 L137 R149 S150 I151 | V16-V100 HydrophobicContact CG1-CG2 4.45Å; V16-V100 WeakPolarHBondContact O-CA 3.49Å; V16-V100 WeakPolarHBondContact O-CG2 3.38Å; L18-V100 HydrophobicContact CB-CG2 3.61Å; L18-V100 HydrophobicContact CD1-CG2 4.32Å; F86-V100 HydrophobicContact CD1-CB 4.21Å; F86-V100 HydrophobicContact CD1-CG1 4.35Å; F86-V100 HydrophobicContact CD1-CG2 4.13Å; F86-V100 HydrophobicContact CD2-CG2 4.3Å; F86-V100 HydrophobicContact CE1-CB 3.5Å; F86-V100 HydrophobicContact CE1-CG1 4.02Å; F86-V100 HydrophobicContact CE1-CG2 3.67Å; F86-V100 HydrophobicContact CE2-CB 4.48Å; F86-V100 HydrophobicContact CE2-CG2 3.82Å; F86-V100 HydrophobicContact CG-CG2 4.44Å; F86-V100 HydrophobicContact CZ-CB 3.66Å; F86-V100 HydrophobicContact CZ-CG2 3.48Å; F86-V100 VanDerWaalsContact CZ-CG2 3.48Å; V100-L137 HydrophobicContact CG1-CD1 3.82Å; V100-L137 HydrophobicContact CG1-CD2 3.89Å; V100-R149 PolarHBondContact N-O 3.1Å; V100-S150 CarbonylContact O-C 3.3Å; V100-S150 WeakPolarHBondContact O-CA 3Å; V100-I151 PolarHBondContact O-N 2.94Å |
| 101 | R | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 149.3 | -176.2 | 70.7 | -169.7 | 59.5 | -164.8 | 9.1 | 112.3 | L14 H15 V16 H17 L18 I151 D181 H214 E260 | L14-R101 PolarHBondContact O-NH2 3.43Å; H15-R101 PolarHBondContact CE1-NH1 3.08Å; H15-R101 VanDerWaalsContact ND1-CZ 3.28Å; H15-R101 PolarHBondContact ND1-NH1 2.95Å; H15-R101 VanDerWaalsContact ND1-NH1 3.15Å; H15-R101 PolarHBondContact ND1-NH2 3.16Å; V16-R101 WeakPolarHBondContact O-CG 3.39Å; V16-R101 PolarHBondContact O-N 2.87Å; H17-R101 CarbonylContact C-O 3.56Å; H17-R101 VanDerWaalsContact CA-O 3.31Å; H17-R101 WeakPolarHBondContact CA-O 3.44Å; H17-R101 VanDerWaalsContact NE2-CD 3.28Å; H17-R101 WeakPolarHBondContact NE2-CD 3.37Å; L18-R101 PolarHBondContact N-O 2.83Å; R101-I151 VanDerWaalsContact CA-O 3.28Å; R101-I151 WeakPolarHBondContact CA-O 3.46Å; R101-I151 HydrophobicContact CB-CB 3.88Å; R101-I151 HydrophobicContact CB-CG2 4.31Å; R101-D181 WeakPolarHBondContact CD-OD2 3.38Å; R101-D181 IonicContact CZ-OD2 3.43Å; R101-D181 IonicContact NE-OD2 2.61Å; R101-D181 IonicContact NH1-OD1 2.72Å; R101-D181 IonicContact NH1-OD2 3.2Å; R101-D181 PolarHBondContact NH1-OD2 3.06Å; R101-H214 PolarHBondContact NH1-CE1 3.45Å; R101-E260 IonicContact CZ-OE2 3.15Å; R101-E260 IonicContact NH1-OE2 3.37Å; R101-E260 PolarHBondContact NH1-OE2 2.88Å; R101-E260 IonicContact NH2-OE1 2.74Å; R101-E260 IonicContact NH2-OE2 2.69Å; R101-E260 PolarHBondContact NH2-OE2 3.41Å |
| 102 | Y | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.7 | 158.1 | 175.7 | 62.5 | -78.8 | 0 | 0 | 0 | 111 | L18 P104 L107 V129 V130 V133 I151 L152 C153 | L18-Y102 HydrophobicContact CB-CD1 4.4Å; L18-Y102 HydrophobicContact CD2-CD1 4.27Å; L18-Y102 HydrophobicContact CD2-CG 4.49Å; Y102-P104 HydrophobicContact CE2-CB 4.05Å; Y102-P104 WeakPolarHBondContact O-CD 3.27Å; Y102-L107 HydrophobicContact CD2-CD1 4.01Å; Y102-V129 HydrophobicContact CE2-CG1 4.06Å; Y102-V130 WeakPolarHBondContact OH-CA 3.44Å; Y102-V133 HydrophobicContact CD1-CG1 4.33Å; Y102-V133 HydrophobicContact CE1-CB 4.13Å; Y102-V133 HydrophobicContact CE1-CG1 3.54Å; Y102-V133 HydrophobicContact CE1-CG2 4.27Å; Y102-V133 HydrophobicContact CE2-CB 4.4Å; Y102-V133 HydrophobicContact CE2-CG2 3.93Å; Y102-V133 WeakPolarHBondContact OH-CB 3.39Å; Y102-I151 PolarHBondContact N-O 2.81Å; Y102-I151 VanDerWaalsContact N-O 3.17Å; Y102-L152 HydrophobicContact CE1-CD2 3.88Å; Y102-L152 HydrophobicContact CE2-CD2 3.98Å; Y102-L152 VanDerWaalsContact CZ-CD2 3.49Å; Y102-L152 WeakPolarHBondContact OH-CD2 3.23Å; Y102-C153 PolarHBondContact O-N 3.07Å |
| 103 | S | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.007 | 11% | 0.11 | C | C | . | . | trans | -90.3 | 114.9 | 167.5 | -175.2 | 0 | 0 | 0 | 0 | 110.2 | H105 L106 C153 | S103-H105 PolarHBondContact O-N 3.42Å; S103-L106 PolarHBondContact O-N 3.29Å; S103-C153 PolarHBondContact OG-O 2.96Å | ||
| 104 | P | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63 | -31.1 | 177.9 | 24.3 | -32.2 | 0 | 0 | 0 | 112 | Y102 L106 L107 A108 P126 V129 V130 L168 | Y102-P104 HydrophobicContact CE2-CB 4.05Å; Y102-P104 WeakPolarHBondContact O-CD 3.27Å; P104-L106 VanDerWaalsContact C-N 3.34Å; P104-L106 PolarHBondContact O-N 3.44Å; P104-L107 PolarHBondContact O-N 2.94Å; P104-A108 PolarHBondContact O-N 2.64Å; P104-P126 HydrophobicContact CB-CB 4.12Å; P104-V129 HydrophobicContact CB-CB 4.31Å; P104-V129 HydrophobicContact CB-CG1 4.19Å; P104-V130 HydrophobicContact CB-CG2 3.68Å; P104-V130 HydrophobicContact CG-CG2 4.06Å; P104-L168 HydrophobicContact CG-CD1 4.06Å |
| 105 | H | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.5 | -40.2 | 175.7 | -62.7 | 79.2 | 0 | 0 | 0 | 112.6 | S103 L107 A108 V112 P116 W161 E164 | S103-H105 PolarHBondContact O-N 3.42Å; H105-L107 PolarHBondContact O-N 2.98Å; H105-A108 PolarHBondContact O-N 3.13Å; H105-V112 HydrophobicContact CB-CG2 3.89Å; H105-P116 WeakPolarHBondContact O-CG 3.42Å; H105-W161 HydrophobicContact CB-CD2 3.66Å; H105-W161 HydrophobicContact CB-CE3 3.31Å; H105-W161 HydrophobicContact CB-CG 4.35Å; H105-W161 HydrophobicContact CB-CH2 4.05Å; H105-W161 HydrophobicContact CB-CZ2 4.36Å; H105-W161 HydrophobicContact CB-CZ3 3.52Å; H105-W161 AromaticContact CD2-CD1 3.96Å; H105-W161 AromaticContact CD2-CD2 3.8Å; H105-W161 AromaticContact CD2-CG 3.59Å; H105-W161 AromaticContact CG-CD2 3.69Å; H105-W161 AromaticContact CG-CE3 3.69Å; H105-W161 AromaticContact CG-CG 3.85Å; H105-E164 IonicContact CD2-OE2 3.67Å; H105-E164 IonicContact CE1-OE2 2.73Å; H105-E164 IonicContact NE2-OE2 2.71Å; H105-E164 PolarHBondContact NE2-OE2 3.41Å |
| 106 | L | 98.9 | Very high | 98.8 | Very high | 19 Ų | 19 | 24 Ų | 24 | 10% | 0.099 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -69.9 | -17.8 | 178.8 | -66.5 | -179.3 | 0 | 0 | 0 | 113.5 | M69 A73 S103 P104 P116 W117 M155 W161 | M69-L106 HydrophobicContact CE-CB 4.26Å; A73-L106 WeakPolarHBondContact CB-O 3.5Å; S103-L106 PolarHBondContact O-N 3.29Å; P104-L106 VanDerWaalsContact C-N 3.34Å; P104-L106 PolarHBondContact O-N 3.44Å; L106-P116 HydrophobicContact CD2-CB 4.15Å; L106-W117 HydrophobicContact CB-CZ2 4.18Å; L106-W117 HydrophobicContact CD1-CZ2 4.31Å; L106-W117 HydrophobicContact CD2-CZ2 3.94Å; L106-W117 HydrophobicContact CG-CZ2 4.37Å; L106-W117 PolarHBondContact O-NE1 2.88Å; L106-M155 HydrophobicContact CD1-CE 4.14Å; L106-M155 HydrophobicContact CD1-SD 4.26Å; L106-W161 HydrophobicContact CD2-CH2 3.94Å; L106-W161 HydrophobicContact CD2-CZ3 3.89Å; L106-W161 HydrophobicContact CG-CZ3 4.24Å |
| 107 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -99.1 | -7.9 | 177 | -68.1 | 171.9 | 0 | 0 | 0 | 112.8 | M69 I72 G74 I79 Y102 P104 H105 V129 | M69-L107 HydrophobicContact CE-CD2 3.7Å; M69-L107 HydrophobicContact CE-CG 4.37Å; I72-L107 HydrophobicContact CG2-CD2 4.1Å; G74-L107 PolarHBondContact N-O 2.8Å; I79-L107 HydrophobicContact CD1-CB 4.01Å; I79-L107 HydrophobicContact CG1-CB 4.33Å; I79-L107 HydrophobicContact CG1-CD2 4.41Å; Y102-L107 HydrophobicContact CD2-CD1 4.01Å; P104-L107 PolarHBondContact O-N 2.94Å; H105-L107 PolarHBondContact O-N 2.98Å; L107-V129 HydrophobicContact CB-CG1 3.67Å; L107-V129 HydrophobicContact CB-CG2 4.07Å; L107-V129 HydrophobicContact CD1-CG1 3.84Å; L107-V129 HydrophobicContact CG-CG1 4.41Å |
| 108 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | trans | -86.9 | 164 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | P104 H105 V112 Q119 L124 P126 V129 | P104-A108 PolarHBondContact O-N 2.64Å; H105-A108 PolarHBondContact O-N 3.13Å; A108-V112 HydrophobicContact CB-CG1 4.09Å; A108-Q119 PolarHBondContact O-NE2 2.95Å; A108-L124 WeakPolarHBondContact CB-O 3.25Å; A108-P126 HydrophobicContact CB-CG 3.89Å; A108-V129 HydrophobicContact CB-CG2 4.16Å | ||
| 109 | N | 98.8 | Very high | 98.7 | Very high | 17 Ų | 17 | 34.7 Ų | 34.7 | 9% | 0.091 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -136.2 | 11.9 | 171.7 | 67.4 | 9.8 | 0 | 0 | 0 | 113.4 | G74 Q119 E121 G122 D123 L124 | G74-N109 VanDerWaalsContact CA-ND2 3.31Å; G74-N109 WeakPolarHBondContact CA-ND2 3.46Å; G74-N109 PolarHBondContact O-ND2 3.34Å; N109-Q119 HydrophobicContact CB-CB 4.23Å; N109-E121 WeakPolarHBondContact O-CA 3.45Å; N109-G122 PolarHBondContact O-N 2.97Å; N109-G122 WeakPolarHBondContact OD1-CA 3.19Å; N109-D123 PolarHBondContact OD1-N 3.46Å; N109-L124 PolarHBondContact N-O 3.5Å; N109-L124 WeakPolarHBondContact OD1-CB 3.36Å; N109-L124 PolarHBondContact OD1-N 2.61Å; N109-L124 PolarHBondContact OD1-O 2.89Å |
| 110 | S | 98.8 | Very high | 98.7 | Very high | 14 Ų | 14 | 38.7 Ų | 38.7 | 10% | 0.098 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -144.9 | 149.3 | 177.7 | -167.4 | 0 | 0 | 0 | 0 | 109.5 | V112 G122 L124 T125 P126 | S110-V112 PolarHBondContact O-N 3.39Å; S110-G122 WeakPolarHBondContact CB-O 3.43Å; S110-G122 PolarHBondContact OG-O 3.39Å; S110-G122 VanDerWaalsContact OG-O 3.1Å; S110-L124 PolarHBondContact N-O 3.46Å; S110-T125 WeakPolarHBondContact O-CA 3.47Å; S110-P126 WeakPolarHBondContact O-CD 3Å |
| 111 | K | 98.5 | Very high | 98.7 | Very high | 160 Ų | 160 | 45.9 Ų | 45.9 | 70% | 0.696 | 24% | 0.24 | S | C | * | . | S | Bend | trans | 52 | 37.7 | -177.5 | -58.5 | -169.5 | -178.1 | 178.7 | 0 | 114.2 | T125 | K111-T125 HydrophobicContact CB-CG2 4.1Å; K111-T125 HydrophobicContact CD-CG2 3.72Å; K111-T125 HydrophobicContact CG-CG2 3.85Å |
| 112 | V | 98.6 | Very high | 98.6 | Very high | 9 Ų | 9 | 47.3 Ų | 47.3 | 6% | 0.055 | 26% | 0.255 | C | S | . | . | trans | -135.7 | 129.9 | 173.6 | 52.9 | 0 | 0 | 0 | 0 | 107.4 | H105 A108 S110 P114 I115 P126 W161 | H105-V112 HydrophobicContact CB-CG2 3.89Å; A108-V112 HydrophobicContact CB-CG1 4.09Å; S110-V112 PolarHBondContact O-N 3.39Å; V112-P114 CarbonylContact O-C 3.56Å; V112-I115 HydrophobicContact CG1-CG1 4.34Å; V112-I115 VanDerWaalsContact O-CG1 3.26Å; V112-I115 WeakPolarHBondContact O-CG1 3.42Å; V112-I115 PolarHBondContact O-N 2.79Å; V112-P126 HydrophobicContact CB-CG 4.37Å; V112-W161 HydrophobicContact CG2-CH2 4.19Å; V112-W161 HydrophobicContact CG2-CZ2 3.54Å | ||
| 113 | E | 97.9 | Very high | 98.6 | Very high | 136 Ų | 136 | 52.4 Ų | 52.4 | 64% | 0.636 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -130 | 119.4 | -177.7 | 179.8 | 57.7 | -134 | 0 | 0 | 109.6 | N160 W161 | E113-N160 PolarHBondContact O-ND2 3.35Å; E113-W161 PolarHBondContact O-NE1 2.87Å |
| 114 | P | 98.6 | Very high | 98.6 | Very high | 58 Ų | 58 | 52.3 Ų | 52.3 | 38% | 0.377 | 28% | 0.282 | S | S | . | . | S | Bend | cis | -70.4 | 152.2 | -6.2 | 30.9 | -35.4 | 0 | 0 | 0 | 112.6 | V112 | V112-P114 CarbonylContact O-C 3.56Š|
| 115 | I | 98.7 | Very high | 98.6 | Very high | 48 Ų | 48 | 53.6 Ų | 53.6 | 25% | 0.246 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -65 | 124.6 | 171.6 | -61.5 | 178.7 | 0 | 0 | 0 | 109.1 | V112 Q119 E121 | V112-I115 HydrophobicContact CG1-CG1 4.34Å; V112-I115 VanDerWaalsContact O-CG1 3.26Å; V112-I115 WeakPolarHBondContact O-CG1 3.42Å; V112-I115 PolarHBondContact O-N 2.79Å; I115-Q119 HydrophobicContact CG2-CB 3.83Å; I115-E121 HydrophobicContact CD1-CB 3.75Å; I115-E121 HydrophobicContact CD1-CG 4.08Å |
| 116 | P | 98.6 | Very high | 98.6 | Very high | 13 Ų | 13 | 53.6 Ų | 53.6 | 8% | 0.084 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -77.3 | 161.8 | -172.3 | 31.9 | -36 | 0 | 0 | 0 | 112.4 | H105 L106 N118 Q119 | H105-P116 WeakPolarHBondContact O-CG 3.42Å; L106-P116 HydrophobicContact CD2-CB 4.15Å; P116-N118 PolarHBondContact O-N 2.88Å; P116-Q119 WeakPolarHBondContact O-CG 3.32Å; P116-Q119 PolarHBondContact O-N 2.74Å; P116-Q119 PolarHBondContact O-NE2 2.76Å |
| 117 | W | 98.5 | Very high | 98.6 | Very high | 53 Ų | 53 | 54.8 Ų | 54.8 | 20% | 0.201 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | 59.1 | 27.6 | 170.8 | -39 | 117.2 | 0 | 0 | 0 | 115.5 | F65 D66 M69 P70 A73 L106 Q119 | F65-W117 HydrophobicContact CB-CH2 3.96Å; F65-W117 HydrophobicContact CB-CZ3 4.45Å; D66-W117 WeakPolarHBondContact OD1-CZ3 3.29Å; M69-W117 HydrophobicContact CB-CD2 3.73Å; M69-W117 VanDerWaalsContact CB-CE2 3.47Å; M69-W117 HydrophobicContact CB-CE3 4.15Å; M69-W117 HydrophobicContact CB-CG 4.24Å; M69-W117 HydrophobicContact CB-CH2 4.11Å; M69-W117 HydrophobicContact CB-CZ2 3.68Å; M69-W117 HydrophobicContact CB-CZ3 4.32Å; M69-W117 HydrophobicContact CE-CZ2 3.9Å; M69-W117 HydrophobicContact CG-CH2 4.07Å; M69-W117 HydrophobicContact CG-CZ2 3.73Å; P70-W117 HydrophobicContact CB-CB 4.5Å; P70-W117 HydrophobicContact CG-CB 4.13Å; A73-W117 VanDerWaalsContact CB-CD1 3.48Å; L106-W117 HydrophobicContact CB-CZ2 4.18Å; L106-W117 HydrophobicContact CD1-CZ2 4.31Å; L106-W117 HydrophobicContact CD2-CZ2 3.94Å; L106-W117 HydrophobicContact CG-CZ2 4.37Å; L106-W117 PolarHBondContact O-NE1 2.88Å; W117-Q119 HydrophobicContact CB-CG 4.27Å; W117-Q119 PolarHBondContact O-N 2.69Å; W117-Q119 VanDerWaalsContact O-N 3.1Å |
| 118 | N | 98.2 | Very high | 98.6 | Very high | 169 Ų | 169 | 57.7 Ų | 57.7 | 90% | 0.904 | 31% | 0.31 | S | S | * | . | G | 310 helix | trans | 54.8 | 27.8 | -177 | -62.8 | 85 | 0 | 0 | 0 | 113.4 | P116 | P116-N118 PolarHBondContact O-N 2.88Š|
| 119 | Q | 98.5 | Very high | 98.6 | Very high | 31 Ų | 31 | 57.7 Ų | 57.7 | 15% | 0.145 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 146.9 | 175.7 | -63.7 | 171.7 | 95.2 | 0 | 0 | 110 | A73 A108 N109 I115 P116 W117 | A73-Q119 PolarHBondContact O-OE1 2.91Å; A73-Q119 VanDerWaalsContact O-OE1 3.08Å; A108-Q119 PolarHBondContact O-NE2 2.95Å; N109-Q119 HydrophobicContact CB-CB 4.23Å; I115-Q119 HydrophobicContact CG2-CB 3.83Å; P116-Q119 WeakPolarHBondContact O-CG 3.32Å; P116-Q119 PolarHBondContact O-N 2.74Å; P116-Q119 PolarHBondContact O-NE2 2.76Å; W117-Q119 HydrophobicContact CB-CG 4.27Å; W117-Q119 PolarHBondContact O-N 2.69Å; W117-Q119 VanDerWaalsContact O-N 3.1Å |
| 120 | A | 98.3 | Very high | 98.6 | Very high | 84 Ų | 84 | 56.9 Ų | 56.9 | 69% | 0.694 | 31% | 0.305 | S | S | * | . | P | Polyproline II helix | trans | -70.1 | 152.8 | 161.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | G122 | A120-G122 PolarHBondContact O-N 3.02Š|
| 121 | E | 98.6 | Very high | 98.6 | Very high | 151 Ų | 151 | 57 Ų | 57 | 71% | 0.706 | 31% | 0.307 | S | S | * | . | P | Polyproline II helix | trans | -58 | 125 | 172.4 | -170.6 | 176.7 | -169.1 | 0 | 0 | 110.3 | N109 I115 | N109-E121 WeakPolarHBondContact O-CA 3.45Å; I115-E121 HydrophobicContact CD1-CB 3.75Å; I115-E121 HydrophobicContact CD1-CG 4.08Å |
| 122 | G | 98.4 | Very high | 98.7 | Very high | 31 Ų | 31 | 50.1 Ų | 50.1 | 32% | 0.32 | 28% | 0.278 | S | S | . | . | trans | -117 | -148.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | N109 S110 A120 | N109-G122 PolarHBondContact O-N 2.97Å; N109-G122 WeakPolarHBondContact OD1-CA 3.19Å; S110-G122 WeakPolarHBondContact CB-O 3.43Å; S110-G122 PolarHBondContact OG-O 3.39Å; S110-G122 VanDerWaalsContact OG-O 3.1Å; A120-G122 PolarHBondContact O-N 3.02Å | ||
| 123 | D | 98.7 | Very high | 98.7 | Very high | 106 Ų | 106 | 49.7 Ų | 49.7 | 57% | 0.567 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -123.6 | 7.2 | -177.1 | 66 | -2.6 | 0 | 0 | 0 | 113 | R76 N109 | R76-D123 IonicContact CZ-OD1 3.71Å; R76-D123 IonicContact NH1-OD1 3.63Å; R76-D123 PolarHBondContact NH1-OD1 3.2Å; R76-D123 IonicContact NH1-OD2 3.24Å; R76-D123 PolarHBondContact NH2-O 2.56Å; R76-D123 IonicContact NH2-OD1 2.75Å; R76-D123 PolarHBondContact NH2-OD1 2.72Å; R76-D123 VanDerWaalsContact NH2-OD1 3.14Å; R76-D123 IonicContact NH2-OD2 3.53Å; N109-D123 PolarHBondContact OD1-N 3.46Å |
| 124 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 25% | 0.245 | C | C | . | . | trans | -98 | 110.2 | -179.3 | -178 | 58.5 | 0 | 0 | 0 | 110.6 | R76 I79 A108 N109 S110 E128 V129 L132 | R76-L124 HydrophobicContact CG-CD1 3.95Å; R76-L124 HydrophobicContact CG-CD2 4.17Å; I79-L124 HydrophobicContact CD1-CD2 3.48Å; I79-L124 VanDerWaalsContact CD1-CD2 3.48Å; A108-L124 WeakPolarHBondContact CB-O 3.25Å; N109-L124 PolarHBondContact N-O 3.5Å; N109-L124 WeakPolarHBondContact OD1-CB 3.36Å; N109-L124 PolarHBondContact OD1-N 2.61Å; N109-L124 PolarHBondContact OD1-O 2.89Å; S110-L124 PolarHBondContact N-O 3.46Å; L124-E128 HydrophobicContact CD1-CB 3.82Å; L124-E128 HydrophobicContact CD1-CG 3.65Å; L124-E128 WeakPolarHBondContact CD1-OE2 3.44Å; L124-V129 HydrophobicContact CD1-CG2 4.3Å; L124-V129 HydrophobicContact CD2-CG2 4.25Å; L124-V129 HydrophobicContact CG-CG2 4.04Å; L124-L132 HydrophobicContact CD1-CD1 3.95Å | ||
| 125 | T | 98.9 | Very high | 98.7 | Very high | 26 Ų | 26 | 44.1 Ų | 44.1 | 16% | 0.16 | 24% | 0.244 | C | C | . | . | trans | -92.8 | 159.3 | -176.9 | 66.7 | 0 | 0 | 0 | 0 | 112.2 | S110 K111 D127 E128 V129 | S110-T125 WeakPolarHBondContact O-CA 3.47Å; K111-T125 HydrophobicContact CB-CG2 4.1Å; K111-T125 HydrophobicContact CD-CG2 3.72Å; K111-T125 HydrophobicContact CG-CG2 3.85Å; T125-D127 PolarHBondContact O-N 3.24Å; T125-E128 PolarHBondContact O-N 3.44Å; T125-E128 VanDerWaalsContact O-N 3.08Å; T125-E128 PolarHBondContact OG1-N 2.85Å; T125-V129 WeakPolarHBondContact O-CG2 3.37Å; T125-V129 PolarHBondContact O-N 2.87Å | ||
| 126 | P | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -53.4 | -39.3 | 173.9 | -26 | 34.1 | 0 | 0 | 0 | 112.6 | P104 A108 S110 V112 E128 V129 V130 L168 | P104-P126 HydrophobicContact CB-CB 4.12Å; A108-P126 HydrophobicContact CB-CG 3.89Å; S110-P126 WeakPolarHBondContact O-CD 3Å; V112-P126 HydrophobicContact CB-CG 4.37Å; P126-E128 PolarHBondContact O-N 2.7Å; P126-V129 WeakPolarHBondContact O-CB 3.35Å; P126-V129 PolarHBondContact O-N 3Å; P126-V130 WeakPolarHBondContact O-CG2 3.31Å; P126-V130 PolarHBondContact O-N 3.09Å; P126-V130 VanDerWaalsContact O-N 3.14Å; P126-L168 HydrophobicContact CB-CD1 4.16Å |
| 127 | D | 98.9 | Very high | 98.8 | Very high | 45 Ų | 45 | 41.2 Ų | 41.2 | 24% | 0.241 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -56 | -46.9 | 175.3 | -171.5 | -67.7 | 0 | 0 | 0 | 113.6 | T125 V130 A131 L168 K171 Y172 | T125-D127 PolarHBondContact O-N 3.24Å; D127-V130 PolarHBondContact O-N 2.9Å; D127-A131 PolarHBondContact O-N 2.93Å; D127-L168 HydrophobicContact CB-CD2 3.8Å; D127-K171 IonicContact OD1-NZ 3.42Å; D127-K171 PolarHBondContact OD1-NZ 2.82Å; D127-K171 WeakPolarHBondContact OD2-CD 3.41Å; D127-K171 IonicContact OD2-NZ 2.96Å; D127-K171 PolarHBondContact OD2-NZ 2.85Å; D127-Y172 PolarHBondContact O-OH 3.05Å; D127-Y172 VanDerWaalsContact O-OH 3.13Å; D127-Y172 PolarHBondContact OD1-OH 3.27Å |
| 128 | E | 98.9 | Very high | 98.8 | Very high | 61 Ų | 61 | 42.8 Ų | 42.8 | 29% | 0.285 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -73.7 | -31.6 | 180 | -178.7 | 177.6 | -170.2 | 0 | 0 | 111.8 | R76 L124 T125 P126 V130 A131 L132 | R76-E128 WeakPolarHBondContact CD-OE1 3.44Å; R76-E128 IonicContact CZ-OE1 3.18Å; R76-E128 IonicContact CZ-OE2 3.47Å; R76-E128 VanDerWaalsContact NE-CD 3.28Å; R76-E128 IonicContact NE-OE1 3.98Å; R76-E128 PolarHBondContact NE-OE1 2.84Å; R76-E128 IonicContact NE-OE2 3.94Å; R76-E128 PolarHBondContact NE-OE2 2.95Å; R76-E128 IonicContact NH2-OE1 3.14Å; R76-E128 IonicContact NH2-OE2 2.7Å; R76-E128 PolarHBondContact NH2-OE2 3.26Å; L124-E128 HydrophobicContact CD1-CB 3.82Å; L124-E128 HydrophobicContact CD1-CG 3.65Å; L124-E128 WeakPolarHBondContact CD1-OE2 3.44Å; T125-E128 PolarHBondContact O-N 3.44Å; T125-E128 VanDerWaalsContact O-N 3.08Å; T125-E128 PolarHBondContact OG1-N 2.85Å; P126-E128 PolarHBondContact O-N 2.7Å; E128-V130 VanDerWaalsContact C-N 3.3Å; E128-V130 PolarHBondContact O-N 2.8Å; E128-A131 PolarHBondContact O-N 2.98Å; E128-L132 HydrophobicContact CG-CD1 4.07Å; E128-L132 HydrophobicContact CG-CG 4.36Å; E128-L132 VanDerWaalsContact O-CG 3.31Å; E128-L132 WeakPolarHBondContact O-CG 3.24Å; E128-L132 PolarHBondContact O-N 2.95Å |
| 129 | V | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -55.3 | -47.7 | 170.3 | 173.5 | 0 | 0 | 0 | 0 | 110.4 | I79 Y102 P104 L107 A108 L124 T125 P126 A131 L132 V133 | I79-V129 HydrophobicContact CD1-CG2 4.09Å; I79-V129 HydrophobicContact CG2-CG1 4.08Å; Y102-V129 HydrophobicContact CE2-CG1 4.06Å; P104-V129 HydrophobicContact CB-CB 4.31Å; P104-V129 HydrophobicContact CB-CG1 4.19Å; L107-V129 HydrophobicContact CB-CG1 3.67Å; L107-V129 HydrophobicContact CB-CG2 4.07Å; L107-V129 HydrophobicContact CD1-CG1 3.84Å; L107-V129 HydrophobicContact CG-CG1 4.41Å; A108-V129 HydrophobicContact CB-CG2 4.16Å; L124-V129 HydrophobicContact CD1-CG2 4.3Å; L124-V129 HydrophobicContact CD2-CG2 4.25Å; L124-V129 HydrophobicContact CG-CG2 4.04Å; T125-V129 WeakPolarHBondContact O-CG2 3.37Å; T125-V129 PolarHBondContact O-N 2.87Å; P126-V129 WeakPolarHBondContact O-CB 3.35Å; P126-V129 PolarHBondContact O-N 3Å; V129-A131 VanDerWaalsContact C-N 3.31Å; V129-A131 PolarHBondContact O-N 3.2Å; V129-L132 PolarHBondContact O-N 2.99Å; V129-L132 VanDerWaalsContact O-N 3.16Å; V129-V133 HydrophobicContact CG1-CG2 4.36Å; V129-V133 WeakPolarHBondContact O-CG2 3.46Å; V129-V133 PolarHBondContact O-N 2.99Å |
| 130 | V | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.4 | -44.5 | 179.7 | 179.7 | 0 | 0 | 0 | 0 | 111.1 | Y102 P104 P126 D127 E128 L132 V133 A134 L152 L168 Y172 V177 | Y102-V130 WeakPolarHBondContact OH-CA 3.44Å; P104-V130 HydrophobicContact CB-CG2 3.68Å; P104-V130 HydrophobicContact CG-CG2 4.06Å; P126-V130 WeakPolarHBondContact O-CG2 3.31Å; P126-V130 PolarHBondContact O-N 3.09Å; P126-V130 VanDerWaalsContact O-N 3.14Å; D127-V130 PolarHBondContact O-N 2.9Å; E128-V130 VanDerWaalsContact C-N 3.3Å; E128-V130 PolarHBondContact O-N 2.8Å; V130-L132 VanDerWaalsContact C-N 3.34Å; V130-L132 PolarHBondContact O-N 3.5Å; V130-V133 PolarHBondContact O-N 3.28Å; V130-A134 WeakPolarHBondContact O-CB 3.22Å; V130-A134 PolarHBondContact O-N 2.86Å; V130-L152 HydrophobicContact CG1-CD1 4.26Å; V130-L152 HydrophobicContact CG1-CD2 4.38Å; V130-L152 HydrophobicContact CG2-CD1 3.8Å; V130-L152 HydrophobicContact CG2-CD2 3.94Å; V130-L168 HydrophobicContact CG2-CB 4.43Å; V130-L168 HydrophobicContact CG2-CD1 4.05Å; V130-Y172 HydrophobicContact CB-CD2 3.93Å; V130-Y172 HydrophobicContact CB-CE2 4Å; V130-Y172 HydrophobicContact CB-CG 4.33Å; V130-Y172 HydrophobicContact CG1-CD1 4.04Å; V130-Y172 HydrophobicContact CG1-CD2 3.46Å; V130-Y172 VanDerWaalsContact CG1-CD2 3.46Å; V130-Y172 HydrophobicContact CG1-CE2 4.03Å; V130-Y172 HydrophobicContact CG1-CG 3.47Å; V130-Y172 VanDerWaalsContact CG1-CG 3.47Å; V130-V177 HydrophobicContact CG1-CG2 3.76Å |
| 131 | A | 98.9 | Very high | 98.9 | Very high | 16 Ų | 16 | 34.7 Ų | 34.7 | 13% | 0.132 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.1 | -40.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | D127 E128 V129 Q135 Y172 | D127-A131 PolarHBondContact O-N 2.93Å; E128-A131 PolarHBondContact O-N 2.98Å; V129-A131 VanDerWaalsContact C-N 3.31Å; V129-A131 PolarHBondContact O-N 3.2Å; A131-Q135 VanDerWaalsContact O-CG 3.25Å; A131-Q135 WeakPolarHBondContact O-CG 3.39Å; A131-Q135 PolarHBondContact O-N 3.43Å; A131-Q135 VanDerWaalsContact O-N 3.07Å; A131-Q135 PolarHBondContact O-NE2 3.47Å; A131-Y172 HydrophobicContact CB-CE1 3.86Å |
| 132 | L | 98.9 | Very high | 98.9 | Very high | 16 Ų | 16 | 35.6 Ų | 35.6 | 8% | 0.084 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -69.4 | -41.3 | -179.9 | -71.7 | 165.1 | 0 | 0 | 0 | 112.5 | R76 I79 K80 L124 E128 V129 V130 Q135 G136 | R76-L132 HydrophobicContact CB-CD1 3.87Å; R76-L132 HydrophobicContact CB-CD2 4.44Å; R76-L132 HydrophobicContact CG-CD1 3.85Å; I79-L132 HydrophobicContact CG2-CB 3.89Å; K80-L132 HydrophobicContact CB-CB 4.46Å; K80-L132 HydrophobicContact CB-CD2 4.39Å; L124-L132 HydrophobicContact CD1-CD1 3.95Å; E128-L132 HydrophobicContact CG-CD1 4.07Å; E128-L132 HydrophobicContact CG-CG 4.36Å; E128-L132 VanDerWaalsContact O-CG 3.31Å; E128-L132 WeakPolarHBondContact O-CG 3.24Å; E128-L132 PolarHBondContact O-N 2.95Å; V129-L132 PolarHBondContact O-N 2.99Å; V129-L132 VanDerWaalsContact O-N 3.16Å; V130-L132 VanDerWaalsContact C-N 3.34Å; V130-L132 PolarHBondContact O-N 3.5Å; L132-Q135 PolarHBondContact O-N 3.35Å; L132-G136 PolarHBondContact O-N 3.18Å; L132-G136 VanDerWaalsContact O-N 3.08Å |
| 133 | V | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64 | -47.3 | 175 | 172.6 | 0 | 0 | 0 | 0 | 109.9 | L18 I79 A83 Y102 V129 V130 Q135 G136 L137 | L18-V133 HydrophobicContact CD2-CG1 3.8Å; L18-V133 HydrophobicContact CD2-CG2 3.9Å; I79-V133 HydrophobicContact CG2-CG2 3.61Å; A83-V133 HydrophobicContact CB-CB 4.38Å; A83-V133 HydrophobicContact CB-CG1 3.97Å; Y102-V133 HydrophobicContact CD1-CG1 4.33Å; Y102-V133 HydrophobicContact CE1-CB 4.13Å; Y102-V133 HydrophobicContact CE1-CG1 3.54Å; Y102-V133 HydrophobicContact CE1-CG2 4.27Å; Y102-V133 HydrophobicContact CE2-CB 4.4Å; Y102-V133 HydrophobicContact CE2-CG2 3.93Å; Y102-V133 WeakPolarHBondContact OH-CB 3.39Å; V129-V133 HydrophobicContact CG1-CG2 4.36Å; V129-V133 WeakPolarHBondContact O-CG2 3.46Å; V129-V133 PolarHBondContact O-N 2.99Å; V130-V133 PolarHBondContact O-N 3.28Å; V133-Q135 VanDerWaalsContact C-N 3.28Å; V133-Q135 PolarHBondContact O-N 2.83Å; V133-G136 PolarHBondContact O-N 3.02Å; V133-L137 HydrophobicContact CG1-CD1 3.86Å; V133-L137 HydrophobicContact CG1-CG 4.03Å; V133-L137 WeakPolarHBondContact O-CG 3.5Å; V133-L137 PolarHBondContact O-N 3.39Å |
| 134 | A | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -55.6 | -43.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | V130 L137 Q138 Q175 T176 | V130-A134 WeakPolarHBondContact O-CB 3.22Å; V130-A134 PolarHBondContact O-N 2.86Å; A134-L137 PolarHBondContact O-N 3.28Å; A134-Q138 WeakPolarHBondContact O-CB 3.42Å; A134-Q138 WeakPolarHBondContact O-CG 3.47Å; A134-Q138 PolarHBondContact O-N 2.82Å; A134-Q175 HydrophobicContact CB-CB 4.23Å; A134-Q175 WeakPolarHBondContact CB-O 3.12Å; A134-T176 HydrophobicContact CB-CG2 4.4Å |
| 135 | Q | 98.9 | Very high | 98.9 | Very high | 76 Ų | 76 | 38.9 Ų | 38.9 | 36% | 0.355 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -60.3 | -46.4 | 174.9 | -72.2 | 168.3 | 39.2 | 0 | 0 | 112.5 | K80 A131 L132 V133 Q138 E139 | K80-Q135 HydrophobicContact CD-CB 4.25Å; A131-Q135 VanDerWaalsContact O-CG 3.25Å; A131-Q135 WeakPolarHBondContact O-CG 3.39Å; A131-Q135 PolarHBondContact O-N 3.43Å; A131-Q135 VanDerWaalsContact O-N 3.07Å; A131-Q135 PolarHBondContact O-NE2 3.47Å; L132-Q135 PolarHBondContact O-N 3.35Å; V133-Q135 VanDerWaalsContact C-N 3.28Å; V133-Q135 PolarHBondContact O-N 2.83Å; Q135-Q138 PolarHBondContact O-N 2.75Å; Q135-E139 WeakPolarHBondContact O-CB 3.37Å; Q135-E139 WeakPolarHBondContact O-CG 3.1Å; Q135-E139 PolarHBondContact O-N 3.38Å |
| 136 | G | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.9 | -41.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y84 L132 V133 G140 | Y84-G136 WeakPolarHBondContact CA-O 3.05Å; L132-G136 PolarHBondContact O-N 3.18Å; L132-G136 VanDerWaalsContact O-N 3.08Å; V133-G136 PolarHBondContact O-N 3.02Å; G136-G140 PolarHBondContact O-N 2.75Å |
| 137 | L | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.5 | -44 | 175.9 | -64.1 | 179.2 | 0 | 0 | 0 | 111.8 | A83 F86 I87 V100 V133 A134 G140 E141 A148 T176 | A83-L137 HydrophobicContact CB-CD2 4.1Å; A83-L137 HydrophobicContact CB-CG 4.16Å; F86-L137 HydrophobicContact CD1-CD2 4.18Å; I87-L137 HydrophobicContact CD1-CD2 3.88Å; I87-L137 HydrophobicContact CG1-CD2 3.92Å; V100-L137 HydrophobicContact CG1-CD1 3.82Å; V100-L137 HydrophobicContact CG1-CD2 3.89Å; V133-L137 HydrophobicContact CG1-CD1 3.86Å; V133-L137 HydrophobicContact CG1-CG 4.03Å; V133-L137 WeakPolarHBondContact O-CG 3.5Å; V133-L137 PolarHBondContact O-N 3.39Å; A134-L137 PolarHBondContact O-N 3.28Å; L137-G140 PolarHBondContact O-N 3.41Å; L137-E141 WeakPolarHBondContact O-CB 3.47Å; L137-E141 PolarHBondContact O-N 2.92Å; L137-A148 HydrophobicContact CB-CB 4.21Å; L137-A148 HydrophobicContact CD2-CB 4.48Å; L137-T176 HydrophobicContact CB-CG2 4.29Å |
| 138 | Q | 98.9 | Very high | 98.9 | Very high | 87 Ų | 87 | 37.5 Ų | 37.5 | 41% | 0.407 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -65.8 | -41.1 | 178.9 | -73.3 | 169.8 | -15.7 | 0 | 0 | 112.5 | A134 Q135 R142 T176 | A134-Q138 WeakPolarHBondContact O-CB 3.42Å; A134-Q138 WeakPolarHBondContact O-CG 3.47Å; A134-Q138 PolarHBondContact O-N 2.82Å; Q135-Q138 PolarHBondContact O-N 2.75Å; Q138-R142 WeakPolarHBondContact O-CB 3.27Å; Q138-R142 PolarHBondContact O-N 3.41Å; Q138-R142 VanDerWaalsContact O-N 3.12Å; Q138-T176 HydrophobicContact CG-CG2 3.74Å |
| 139 | E | 98.9 | Very high | 98.9 | Very high | 64 Ų | 64 | 36.1 Ų | 36.1 | 30% | 0.299 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -63.7 | -42.7 | 173.6 | -74.3 | 172 | -171.2 | 0 | 0 | 110.9 | K80 Y84 Q135 R142 D143 | K80-E139 VanDerWaalsContact CE-CD 3.4Å; K80-E139 VanDerWaalsContact CE-OE1 3.23Å; K80-E139 WeakPolarHBondContact CE-OE1 3.44Å; K80-E139 WeakPolarHBondContact CE-OE2 3.29Å; K80-E139 IonicContact NZ-OE1 2.69Å; K80-E139 PolarHBondContact NZ-OE1 2.69Å; K80-E139 IonicContact NZ-OE2 2.71Å; K80-E139 PolarHBondContact NZ-OE2 2.78Å; Y84-E139 HydrophobicContact CD2-CB 3.77Å; Y84-E139 HydrophobicContact CE2-CB 4.11Å; Q135-E139 WeakPolarHBondContact O-CB 3.37Å; Q135-E139 WeakPolarHBondContact O-CG 3.1Å; Q135-E139 PolarHBondContact O-N 3.38Å; E139-R142 PolarHBondContact O-N 2.97Å; E139-D143 WeakPolarHBondContact O-CB 3.4Å; E139-D143 VanDerWaalsContact O-CG 3.25Å; E139-D143 PolarHBondContact O-N 3.49Å |
| 140 | G | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.9 | -44.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | I87 G136 L137 R142 D143 F144 | I87-G140 VanDerWaalsContact CG2-C 3.48Å; I87-G140 WeakPolarHBondContact CG2-O 3.29Å; G136-G140 PolarHBondContact O-N 2.75Å; L137-G140 PolarHBondContact O-N 3.41Å; G140-R142 VanDerWaalsContact C-N 3.3Å; G140-R142 PolarHBondContact O-N 2.83Å; G140-D143 PolarHBondContact O-N 3.26Å; G140-F144 WeakPolarHBondContact O-CB 3.49Å; G140-F144 WeakPolarHBondContact O-CD2 3.46Å; G140-F144 PolarHBondContact O-N 3.01Å |
| 141 | E | 98.8 | Very high | 98.9 | Very high | 49 Ų | 49 | 36.1 Ų | 36.1 | 23% | 0.229 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -57.4 | -45.2 | 176.8 | 172.4 | 167.6 | 165.2 | 0 | 0 | 110.6 | L137 G145 V146 A148 R149 | L137-E141 WeakPolarHBondContact O-CB 3.47Å; L137-E141 PolarHBondContact O-N 2.92Å; E141-G145 WeakPolarHBondContact O-CA 3.32Å; E141-G145 PolarHBondContact O-N 2.94Å; E141-V146 WeakPolarHBondContact CA-O 3.49Å; E141-V146 WeakPolarHBondContact CB-O 3.45Å; E141-V146 WeakPolarHBondContact CG-O 3.38Å; E141-A148 HydrophobicContact CB-CB 4.5Å; E141-A148 PolarHBondContact OE2-N 2.99Å; E141-R149 IonicContact OE1-NH1 2.75Å; E141-R149 IonicContact OE2-NH1 2.69Å; E141-R149 PolarHBondContact OE2-NH1 3.32Å |
| 142 | R | 98.8 | Very high | 98.9 | Very high | 170 Ų | 170 | 35.3 Ų | 35.3 | 64% | 0.642 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -61.3 | -45.5 | 176.1 | -177.2 | -166.3 | 67.9 | -146.4 | -9 | 112.4 | Q138 E139 G140 | Q138-R142 WeakPolarHBondContact O-CB 3.27Å; Q138-R142 PolarHBondContact O-N 3.41Å; Q138-R142 VanDerWaalsContact O-N 3.12Å; E139-R142 PolarHBondContact O-N 2.97Å; G140-R142 VanDerWaalsContact C-N 3.3Å; G140-R142 PolarHBondContact O-N 2.83Å |
| 143 | D | 98.9 | Very high | 98.9 | Very high | 74 Ų | 74 | 34.6 Ų | 34.6 | 40% | 0.396 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -84.8 | -25.5 | -168.9 | -66.2 | -15.3 | 0 | 0 | 0 | 112.9 | Y84 E139 G140 | Y84-D143 HydrophobicContact CE2-CB 4.33Å; Y84-D143 WeakPolarHBondContact CE2-OD2 3.43Å; Y84-D143 PolarHBondContact OH-OD2 3.07Å; E139-D143 WeakPolarHBondContact O-CB 3.4Å; E139-D143 VanDerWaalsContact O-CG 3.25Å; E139-D143 PolarHBondContact O-N 3.49Å; G140-D143 PolarHBondContact O-N 3.26Å |
| 144 | F | 98.8 | Very high | 98.9 | Very high | 66 Ų | 66 | 34.6 Ų | 34.6 | 29% | 0.289 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -117.1 | -7.7 | -175.8 | -52.7 | -62.3 | 0 | 0 | 0 | 114.6 | Y84 I87 E88 A91 G140 V146 | Y84-F144 HydrophobicContact CD1-CE2 4.3Å; Y84-F144 HydrophobicContact CD2-CE2 4.45Å; Y84-F144 AromaticContact CE1-CE2 3.7Å; Y84-F144 HydrophobicContact CE1-CE2 3.7Å; Y84-F144 AromaticContact CE1-CZ 3.73Å; Y84-F144 HydrophobicContact CE1-CZ 3.73Å; Y84-F144 AromaticContact CE2-CE2 3.88Å; Y84-F144 HydrophobicContact CE2-CE2 3.88Å; Y84-F144 HydrophobicContact CE2-CZ 4.4Å; Y84-F144 AromaticContact CZ-CE2 3.48Å; Y84-F144 VanDerWaalsContact CZ-CE2 3.48Å; Y84-F144 AromaticContact CZ-CZ 3.58Å; Y84-F144 VanDerWaalsContact OH-CZ 3.32Å; Y84-F144 WeakPolarHBondContact OH-CZ 3.38Å; I87-F144 HydrophobicContact CB-CD2 4.33Å; I87-F144 HydrophobicContact CG2-CB 4.2Å; I87-F144 HydrophobicContact CG2-CD2 4.07Å; E88-F144 HydrophobicContact CB-CD1 4.46Å; E88-F144 HydrophobicContact CB-CD2 4Å; E88-F144 HydrophobicContact CB-CE1 4.07Å; E88-F144 HydrophobicContact CB-CE2 3.56Å; E88-F144 HydrophobicContact CB-CG 4.44Å; E88-F144 HydrophobicContact CB-CZ 3.6Å; E88-F144 HydrophobicContact CG-CD1 4.23Å; E88-F144 HydrophobicContact CG-CE1 3.67Å; E88-F144 HydrophobicContact CG-CE2 4.09Å; E88-F144 HydrophobicContact CG-CZ 3.58Å; A91-F144 HydrophobicContact CB-CB 4.05Å; G140-F144 WeakPolarHBondContact O-CB 3.49Å; G140-F144 WeakPolarHBondContact O-CD2 3.46Å; G140-F144 PolarHBondContact O-N 3.01Å; F144-V146 PolarHBondContact O-N 2.8Å |
| 145 | G | 98.4 | Very high | 98.9 | Very high | 66 Ų | 66 | 35.5 Ų | 35.5 | 68% | 0.68 | 18% | 0.177 | S | C | * | . | trans | 72 | 23.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | E141 | E141-G145 WeakPolarHBondContact O-CA 3.32Å; E141-G145 PolarHBondContact O-N 2.94Å | ||
| 146 | V | 98.8 | Very high | 98.9 | Very high | 4 Ų | 4 | 31.9 Ų | 31.9 | 2% | 0.024 | 16% | 0.16 | C | C | . | . | trans | -108.1 | 119.4 | 175.8 | -179 | 0 | 0 | 0 | 0 | 108.6 | I87 A91 V95 V98 E141 F144 A148 | I87-V146 HydrophobicContact CG2-CB 3.9Å; I87-V146 HydrophobicContact CG2-CG2 4.47Å; A91-V146 HydrophobicContact CB-CG2 3.62Å; V95-V146 HydrophobicContact CG1-CG1 4.2Å; V95-V146 VanDerWaalsContact O-CG2 3.28Å; V95-V146 WeakPolarHBondContact O-CG2 3.12Å; V98-V146 HydrophobicContact CG1-CG1 4.25Å; E141-V146 WeakPolarHBondContact CA-O 3.49Å; E141-V146 WeakPolarHBondContact CB-O 3.45Å; E141-V146 WeakPolarHBondContact CG-O 3.38Å; F144-V146 PolarHBondContact O-N 2.8Å; V146-A148 PolarHBondContact O-N 3.4Å | ||
| 147 | K | 98.9 | Very high | 98.8 | Very high | 38 Ų | 38 | 36.2 Ų | 36.2 | 17% | 0.165 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 127 | 178.3 | -177.7 | 171.3 | -68.7 | -157 | 0 | 109.8 | V96 Y97 V98 L335 E339 E342 | V96-K147 PolarHBondContact O-N 3.14Å; Y97-K147 WeakPolarHBondContact CA-O 3.42Å; Y97-K147 HydrophobicContact CD2-CB 3.96Å; Y97-K147 HydrophobicContact CD2-CD 4.17Å; Y97-K147 HydrophobicContact CD2-CG 3.81Å; Y97-K147 WeakPolarHBondContact CD2-O 3.42Å; Y97-K147 HydrophobicContact CE2-CD 4.43Å; Y97-K147 HydrophobicContact CE2-CG 4.16Å; V98-K147 PolarHBondContact N-O 3.09Å; K147-L335 HydrophobicContact CD-CD1 4.14Å; K147-L335 HydrophobicContact CD-CD2 4.01Å; K147-E339 WeakPolarHBondContact CE-OE2 3.09Å; K147-E339 IonicContact NZ-OE2 2.73Å; K147-E339 PolarHBondContact NZ-OE2 3.42Å; K147-E342 IonicContact NZ-OE2 3.48Å; K147-E342 PolarHBondContact NZ-OE2 3.47Å |
| 148 | A | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 125.9 | -170.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | I87 V98 L137 E141 V146 | I87-A148 HydrophobicContact CD1-CB 3.38Å; I87-A148 HydrophobicContact CG1-CB 4.13Å; V98-A148 HydrophobicContact CG1-CB 4.26Å; L137-A148 HydrophobicContact CB-CB 4.21Å; L137-A148 HydrophobicContact CD2-CB 4.48Å; E141-A148 HydrophobicContact CB-CB 4.5Å; E141-A148 PolarHBondContact OE2-N 2.99Å; V146-A148 PolarHBondContact O-N 3.4Å |
| 149 | R | 98.9 | Very high | 98.8 | Very high | 32 Ų | 32 | 35 Ų | 35 | 12% | 0.121 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 161.3 | 171.4 | -62.2 | -64.9 | 174.6 | -90.5 | 1.2 | 109.5 | Y97 V98 E99 V100 E141 T176 V178 L335 E339 | Y97-R149 HydrophobicContact CE2-CB 4.36Å; Y97-R149 HydrophobicContact CE2-CG 3.85Å; V98-R149 PolarHBondContact O-N 3.05Å; E99-R149 WeakPolarHBondContact CA-O 3.38Å; E99-R149 HydrophobicContact CG-CB 4.25Å; V100-R149 PolarHBondContact N-O 3.1Å; E141-R149 IonicContact OE1-NH1 2.75Å; E141-R149 IonicContact OE2-NH1 2.69Å; E141-R149 PolarHBondContact OE2-NH1 3.32Å; R149-T176 CarbonylContact C-O 3.53Å; R149-T176 VanDerWaalsContact CA-O 3.32Å; R149-T176 WeakPolarHBondContact CA-O 3.38Å; R149-T176 WeakPolarHBondContact CB-O 3.38Å; R149-T176 WeakPolarHBondContact CD-O 3.22Å; R149-V178 HydrophobicContact CB-CB 4.4Å; R149-V178 HydrophobicContact CB-CG1 3.73Å; R149-V178 HydrophobicContact CB-CG2 3.75Å; R149-V178 HydrophobicContact CG-CG1 3.72Å; R149-L335 HydrophobicContact CG-CD2 3.91Å; R149-E339 IonicContact CZ-OE2 3.67Å; R149-E339 IonicContact NH2-OE1 3.39Å; R149-E339 IonicContact NH2-OE2 3.95Å; R149-E339 PolarHBondContact NH2-OE2 3.47Å |
| 150 | S | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 149.5 | -177.3 | 52.4 | 0 | 0 | 0 | 0 | 112.5 | V100 T176 V177 V178 | V100-S150 CarbonylContact O-C 3.3Å; V100-S150 WeakPolarHBondContact O-CA 3Å; S150-T176 PolarHBondContact N-O 2.95Å; S150-T176 PolarHBondContact OG-O 3.16Å; S150-T176 PolarHBondContact OG-OG1 3.33Å; S150-V177 CarbonylContact O-C 3.55Å; S150-V177 VanDerWaalsContact O-CA 3.29Å; S150-V177 WeakPolarHBondContact O-CA 3.43Å; S150-V177 WeakPolarHBondContact OG-CA 3.37Å; S150-V177 WeakPolarHBondContact OG-CG2 3.41Å; S150-V177 PolarHBondContact OG-N 2.88Å; S150-V178 PolarHBondContact O-N 3.49Å |
| 151 | I | 99 | Very high | 98.8 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 134.8 | 175.2 | -57.9 | -175.9 | 0 | 0 | 0 | 107.9 | E99 V100 R101 Y102 V178 A179 D181 T212 F334 | E99-I151 HydrophobicContact CB-CD1 3.97Å; E99-I151 HydrophobicContact CB-CG1 4.28Å; V100-I151 PolarHBondContact O-N 2.94Å; R101-I151 VanDerWaalsContact CA-O 3.28Å; R101-I151 WeakPolarHBondContact CA-O 3.46Å; R101-I151 HydrophobicContact CB-CB 3.88Å; R101-I151 HydrophobicContact CB-CG2 4.31Å; Y102-I151 PolarHBondContact N-O 2.81Å; Y102-I151 VanDerWaalsContact N-O 3.17Å; I151-V178 HydrophobicContact CG1-CG2 4.26Å; I151-A179 WeakPolarHBondContact CA-O 3.19Å; I151-A179 HydrophobicContact CD1-CB 4.21Å; I151-A179 HydrophobicContact CG1-CB 4.04Å; I151-A179 HydrophobicContact CG2-CB 4.11Å; I151-D181 HydrophobicContact CG2-CB 3.61Å; I151-T212 HydrophobicContact CD1-CG2 4.19Å; I151-T212 HydrophobicContact CG2-CG2 4.24Å; I151-F334 HydrophobicContact CD1-CD2 4.22Å; I151-F334 HydrophobicContact CD1-CE2 4.31Å |
| 152 | L | 99 | Very high | 98.8 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 124.3 | 179.7 | -53.1 | -175.4 | 0 | 0 | 0 | 110.2 | Y102 V130 V165 L168 V177 A179 I180 D181 | Y102-L152 HydrophobicContact CE1-CD2 3.88Å; Y102-L152 HydrophobicContact CE2-CD2 3.98Å; Y102-L152 VanDerWaalsContact CZ-CD2 3.49Å; Y102-L152 WeakPolarHBondContact OH-CD2 3.23Å; V130-L152 HydrophobicContact CG1-CD1 4.26Å; V130-L152 HydrophobicContact CG1-CD2 4.38Å; V130-L152 HydrophobicContact CG2-CD1 3.8Å; V130-L152 HydrophobicContact CG2-CD2 3.94Å; L152-V165 HydrophobicContact CB-CG1 3.72Å; L152-L168 HydrophobicContact CD1-CB 3.62Å; L152-V177 HydrophobicContact CD1-CG1 4.13Å; L152-V177 HydrophobicContact CD1-CG2 4.24Å; L152-V177 HydrophobicContact CD2-CG2 4.27Å; L152-V177 HydrophobicContact CG-CG1 3.91Å; L152-V177 HydrophobicContact CG-CG2 4.22Å; L152-A179 PolarHBondContact N-O 3.5Å; L152-A179 VanDerWaalsContact N-O 3.12Å; L152-I180 WeakPolarHBondContact O-CA 3.31Å; L152-D181 PolarHBondContact O-N 3.17Å |
| 153 | C | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.007 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 121.8 | -176.3 | -56.9 | 0 | 0 | 0 | 0 | 111.6 | Y102 S103 M155 A183 | Y102-C153 PolarHBondContact O-N 3.07Å; S103-C153 PolarHBondContact OG-O 2.96Å; C153-M155 HydrophobicContact CB-SD 4.31Å; C153-A183 HydrophobicContact CB-CB 4.25Å |
| 154 | C | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 149 | 149.3 | -63.7 | 0 | 0 | 0 | 0 | 109.3 | S162 I180 D181 L182 A183 | C154-S162 WeakPolarHBondContact CB-OG 3.17Å; C154-S162 VanDerWaalsContact SG-CB 3.54Å; C154-S162 PolarHBondContact SG-OG 2.86Å; C154-S162 VanDerWaalsContact SG-OG 3.36Å; C154-I180 WeakPolarHBondContact SG-CD1 3.48Å; C154-D181 VanDerWaalsContact CB-O 3.31Å; C154-D181 WeakPolarHBondContact CB-O 3.28Å; C154-D181 PolarHBondContact N-O 3.05Å; C154-L182 HydrophobicContact CB-CD1 3.8Å; C154-L182 WeakPolarHBondContact O-CA 3.28Å; C154-A183 PolarHBondContact O-N 3.02Å |
| 155 | M | 98.9 | Very high | 98.8 | Very high | 19 Ų | 19 | 25.5 Ų | 25.5 | 9% | 0.094 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 127.2 | 177.2 | -59.5 | -55 | -63.7 | 0 | 0 | 110 | L106 C153 H157 Q158 W161 A183 H197 | L106-M155 HydrophobicContact CD1-CE 4.14Å; L106-M155 HydrophobicContact CD1-SD 4.26Å; C153-M155 HydrophobicContact CB-SD 4.31Å; M155-H157 PolarHBondContact O-N 2.75Å; M155-Q158 HydrophobicContact CB-CB 4.29Å; M155-Q158 CarbonylContact O-C 3.58Å; M155-Q158 WeakPolarHBondContact O-CA 3.06Å; M155-Q158 PolarHBondContact O-N 3.24Å; M155-W161 HydrophobicContact CB-CE3 4.45Å; M155-W161 HydrophobicContact CG-CE3 4.17Å; M155-W161 HydrophobicContact CG-CZ3 4.09Å; M155-A183 WeakPolarHBondContact CA-O 3.38Å; M155-A183 HydrophobicContact SD-CB 4.43Å; M155-H197 PolarHBondContact O-CE1 3.13Å |
| 156 | R | 98.8 | Very high | 98.9 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -32.1 | -176 | -76.3 | 178.4 | 175.9 | -78.5 | -0.4 | 115 | L182 A183 D185 I188 S191 S192 H197 H214 | R156-L182 HydrophobicContact CG-CD1 3.81Å; R156-L182 HydrophobicContact CG-CD2 4.3Å; R156-L182 HydrophobicContact CG-CG 3.9Å; R156-A183 WeakPolarHBondContact CG-O 3.48Å; R156-A183 PolarHBondContact N-O 3.11Å; R156-D185 VanDerWaalsContact CD-C 3.45Å; R156-D185 WeakPolarHBondContact CD-O 3.3Å; R156-I188 HydrophobicContact CB-CD1 4.33Å; R156-S191 PolarHBondContact NH1-OG 3.15Å; R156-S192 PolarHBondContact NH1-OG 3.43Å; R156-H197 PolarHBondContact O-NE2 3.12Å; R156-H214 PolarHBondContact NH2-O 2.86Å |
| 157 | H | 98.6 | Very high | 98.9 | Very high | 90 Ų | 90 | 26.9 Ų | 26.9 | 42% | 0.417 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -3.5 | 179.4 | 69.5 | -79.1 | 0 | 0 | 0 | 113.9 | M155 I188 | M155-H157 PolarHBondContact O-N 2.75Å; H157-I188 HydrophobicContact CB-CD1 3.7Å |
| 158 | Q | 98.8 | Very high | 98.9 | Very high | 28 Ų | 28 | 25.2 Ų | 25.2 | 13% | 0.131 | 13% | 0.127 | C | C | . | . | trans | -130.7 | 66.9 | -178.4 | -57.5 | -67 | -6 | 0 | 0 | 111.8 | M155 N160 W161 | M155-Q158 HydrophobicContact CB-CB 4.29Å; M155-Q158 CarbonylContact O-C 3.58Å; M155-Q158 WeakPolarHBondContact O-CA 3.06Å; M155-Q158 PolarHBondContact O-N 3.24Å; Q158-N160 WeakPolarHBondContact CA-OD1 3.33Å; Q158-N160 PolarHBondContact O-N 2.89Å; Q158-N160 PolarHBondContact OE1-OD1 3.07Å; Q158-N160 VanDerWaalsContact OE1-OD1 3.13Å; Q158-W161 HydrophobicContact CB-CB 4.36Å; Q158-W161 HydrophobicContact CB-CD2 3.46Å; Q158-W161 VanDerWaalsContact CB-CD2 3.46Å; Q158-W161 HydrophobicContact CB-CE3 3.61Å; Q158-W161 HydrophobicContact CB-CG 3.82Å; Q158-W161 HydrophobicContact CB-CH2 4.45Å; Q158-W161 HydrophobicContact CB-CZ2 4.32Å; Q158-W161 HydrophobicContact CB-CZ3 4.12Å; Q158-W161 HydrophobicContact CG-CD2 3.82Å; Q158-W161 HydrophobicContact CG-CE3 3.78Å; Q158-W161 HydrophobicContact CG-CH2 3.74Å; Q158-W161 HydrophobicContact CG-CZ2 3.75Å; Q158-W161 HydrophobicContact CG-CZ3 3.75Å; Q158-W161 PolarHBondContact O-N 3.4Å; Q158-W161 VanDerWaalsContact O-N 3.12Å | ||
| 159 | P | 98.8 | Very high | 98.9 | Very high | 35 Ų | 35 | 25.3 Ų | 25.3 | 23% | 0.227 | 13% | 0.128 | C | C | . | . | G | 310 helix | trans | -61.2 | -24.2 | 176.7 | 25.6 | -34.7 | 0 | 0 | 0 | 113.3 | W161 S162 F194 G196 H197 | P159-W161 VanDerWaalsContact C-N 3.25Å; P159-W161 PolarHBondContact O-N 3.25Å; P159-S162 PolarHBondContact O-N 3.49Å; P159-F194 HydrophobicContact CB-CB 3.78Å; P159-F194 HydrophobicContact CB-CD2 4.23Å; P159-F194 HydrophobicContact CB-CG 4.44Å; P159-F194 HydrophobicContact CG-CB 4.18Å; P159-F194 HydrophobicContact CG-CD2 3.94Å; P159-F194 HydrophobicContact CG-CG 4.37Å; P159-G196 WeakPolarHBondContact O-CA 3.48Å; P159-H197 WeakPolarHBondContact CA-CE1 3.28Å |
| 160 | N | 98.8 | Very high | 98.9 | Very high | 89 Ų | 89 | 26.2 Ų | 26.2 | 48% | 0.476 | 13% | 0.133 | S | C | . | . | G | 310 helix | trans | -65.2 | -22.8 | 175.7 | 61.8 | -46.5 | 0 | 0 | 0 | 113.8 | E113 Q158 | E113-N160 PolarHBondContact O-ND2 3.35Å; Q158-N160 WeakPolarHBondContact CA-OD1 3.33Å; Q158-N160 PolarHBondContact O-N 2.89Å; Q158-N160 PolarHBondContact OE1-OD1 3.07Å; Q158-N160 VanDerWaalsContact OE1-OD1 3.13Å |
| 161 | W | 98.9 | Very high | 98.9 | Very high | 10 Ų | 10 | 31.7 Ų | 31.7 | 4% | 0.038 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -81.9 | -23.6 | 177.8 | -62.8 | -6.9 | 0 | 0 | 0 | 112.9 | H105 L106 V112 E113 M155 Q158 P159 E164 V165 | H105-W161 HydrophobicContact CB-CD2 3.66Å; H105-W161 HydrophobicContact CB-CE3 3.31Å; H105-W161 HydrophobicContact CB-CG 4.35Å; H105-W161 HydrophobicContact CB-CH2 4.05Å; H105-W161 HydrophobicContact CB-CZ2 4.36Å; H105-W161 HydrophobicContact CB-CZ3 3.52Å; H105-W161 AromaticContact CD2-CD1 3.96Å; H105-W161 AromaticContact CD2-CD2 3.8Å; H105-W161 AromaticContact CD2-CG 3.59Å; H105-W161 AromaticContact CG-CD2 3.69Å; H105-W161 AromaticContact CG-CE3 3.69Å; H105-W161 AromaticContact CG-CG 3.85Å; L106-W161 HydrophobicContact CD2-CH2 3.94Å; L106-W161 HydrophobicContact CD2-CZ3 3.89Å; L106-W161 HydrophobicContact CG-CZ3 4.24Å; V112-W161 HydrophobicContact CG2-CH2 4.19Å; V112-W161 HydrophobicContact CG2-CZ2 3.54Å; E113-W161 PolarHBondContact O-NE1 2.87Å; M155-W161 HydrophobicContact CB-CE3 4.45Å; M155-W161 HydrophobicContact CG-CE3 4.17Å; M155-W161 HydrophobicContact CG-CZ3 4.09Å; Q158-W161 HydrophobicContact CB-CB 4.36Å; Q158-W161 HydrophobicContact CB-CD2 3.46Å; Q158-W161 VanDerWaalsContact CB-CD2 3.46Å; Q158-W161 HydrophobicContact CB-CE3 3.61Å; Q158-W161 HydrophobicContact CB-CG 3.82Å; Q158-W161 HydrophobicContact CB-CH2 4.45Å; Q158-W161 HydrophobicContact CB-CZ2 4.32Å; Q158-W161 HydrophobicContact CB-CZ3 4.12Å; Q158-W161 HydrophobicContact CG-CD2 3.82Å; Q158-W161 HydrophobicContact CG-CE3 3.78Å; Q158-W161 HydrophobicContact CG-CH2 3.74Å; Q158-W161 HydrophobicContact CG-CZ2 3.75Å; Q158-W161 HydrophobicContact CG-CZ3 3.75Å; Q158-W161 PolarHBondContact O-N 3.4Å; Q158-W161 VanDerWaalsContact O-N 3.12Å; P159-W161 VanDerWaalsContact C-N 3.25Å; P159-W161 PolarHBondContact O-N 3.25Å; W161-E164 WeakPolarHBondContact O-CB 3.17Å; W161-E164 PolarHBondContact O-N 3.43Å; W161-V165 WeakPolarHBondContact O-CG2 3.47Å; W161-V165 PolarHBondContact O-N 3.45Å |
| 162 | S | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.6 | -38.3 | -168.7 | -58.7 | 0 | 0 | 0 | 0 | 114.9 | C154 P159 E164 V165 V166 G196 H197 A200 | C154-S162 WeakPolarHBondContact CB-OG 3.17Å; C154-S162 VanDerWaalsContact SG-CB 3.54Å; C154-S162 PolarHBondContact SG-OG 2.86Å; C154-S162 VanDerWaalsContact SG-OG 3.36Å; P159-S162 PolarHBondContact O-N 3.49Å; S162-E164 VanDerWaalsContact C-N 3.27Å; S162-E164 PolarHBondContact O-N 2.95Å; S162-V165 PolarHBondContact O-N 3Å; S162-V166 PolarHBondContact O-N 2.84Å; S162-V166 VanDerWaalsContact O-N 3.16Å; S162-G196 VanDerWaalsContact CB-O 3.26Å; S162-G196 WeakPolarHBondContact CB-O 3.26Å; S162-H197 PolarHBondContact OG-CE1 2.71Å; S162-H197 VanDerWaalsContact OG-CE1 3.23Å; S162-H197 PolarHBondContact OG-ND1 3.41Å; S162-A200 WeakPolarHBondContact O-CB 3.14Å |
| 163 | P | 98.9 | Very high | 98.8 | Very high | 57 Ų | 57 | 37 Ų | 37 | 37% | 0.37 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -59.1 | -37.8 | 172.5 | -26.2 | 36.2 | 0 | 0 | 0 | 112.9 | V166 E167 | P163-V166 VanDerWaalsContact O-CG1 3.28Å; P163-V166 WeakPolarHBondContact O-CG1 3.13Å; P163-E167 WeakPolarHBondContact O-CG 3.46Å; P163-E167 PolarHBondContact O-N 2.69Å |
| 164 | E | 98.9 | Very high | 98.7 | Very high | 66 Ų | 66 | 44.6 Ų | 44.6 | 31% | 0.308 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -70.8 | -38.9 | 176.1 | -173.3 | 177 | -162.8 | 0 | 0 | 111.3 | H105 W161 S162 V166 E167 L168 | H105-E164 IonicContact CD2-OE2 3.67Å; H105-E164 IonicContact CE1-OE2 2.73Å; H105-E164 IonicContact NE2-OE2 2.71Å; H105-E164 PolarHBondContact NE2-OE2 3.41Å; W161-E164 WeakPolarHBondContact O-CB 3.17Å; W161-E164 PolarHBondContact O-N 3.43Å; S162-E164 VanDerWaalsContact C-N 3.27Å; S162-E164 PolarHBondContact O-N 2.95Å; E164-V166 PolarHBondContact O-N 3.46Å; E164-E167 PolarHBondContact O-N 3.16Å; E164-L168 HydrophobicContact CG-CD1 4.12Å; E164-L168 HydrophobicContact CG-CG 4.28Å; E164-L168 VanDerWaalsContact O-CG 3.3Å; E164-L168 WeakPolarHBondContact O-CG 3.44Å; E164-L168 PolarHBondContact O-N 3.32Å |
| 165 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -56.4 | -48.9 | 177.5 | 176.7 | 0 | 0 | 0 | 0 | 111.3 | L152 W161 S162 E167 L168 C169 I180 | L152-V165 HydrophobicContact CB-CG1 3.72Å; W161-V165 WeakPolarHBondContact O-CG2 3.47Å; W161-V165 PolarHBondContact O-N 3.45Å; S162-V165 PolarHBondContact O-N 3Å; V165-E167 PolarHBondContact O-N 2.54Å; V165-L168 WeakPolarHBondContact O-CB 3.15Å; V165-L168 PolarHBondContact O-N 3.44Å; V165-C169 PolarHBondContact O-N 2.85Å; V165-C169 PolarHBondContact O-SG 3.39Å; V165-I180 HydrophobicContact CB-CD1 4.46Å; V165-I180 HydrophobicContact CG1-CD1 3.92Å; V165-I180 HydrophobicContact CG1-CG1 3.85Å |
| 166 | V | 98.9 | Very high | 98.5 | Very high | 3 Ų | 3 | 47.9 Ų | 47.9 | 2% | 0.018 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.3 | -35.2 | -180 | 67 | 0 | 0 | 0 | 0 | 112.5 | S162 P163 E164 L168 C169 K170 I180 A200 E203 A204 | S162-V166 PolarHBondContact O-N 2.84Å; S162-V166 VanDerWaalsContact O-N 3.16Å; P163-V166 VanDerWaalsContact O-CG1 3.28Å; P163-V166 WeakPolarHBondContact O-CG1 3.13Å; E164-V166 PolarHBondContact O-N 3.46Å; V166-L168 VanDerWaalsContact C-N 3.34Å; V166-C169 WeakPolarHBondContact O-CB 3.47Å; V166-C169 PolarHBondContact O-N 3.12Å; V166-K170 WeakPolarHBondContact O-CG 3.45Å; V166-K170 PolarHBondContact O-N 2.96Å; V166-I180 HydrophobicContact CB-CD1 4.03Å; V166-A200 HydrophobicContact CB-CB 4.25Å; V166-A200 HydrophobicContact CG1-CB 4.02Å; V166-E203 HydrophobicContact CG1-CB 4.34Å; V166-E203 HydrophobicContact CG1-CG 4.2Å; V166-E203 HydrophobicContact CG2-CB 4.3Å; V166-E203 HydrophobicContact CG2-CG 4.09Å; V166-A204 HydrophobicContact CG2-CB 4.07Å |
| 167 | E | 98.9 | Very high | 98.5 | Very high | 96 Ų | 96 | 48 Ų | 48 | 45% | 0.449 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -66 | -37.2 | 174.2 | -71 | -56.9 | 132.3 | 0 | 0 | 111.9 | P163 E164 V165 K170 K171 | P163-E167 WeakPolarHBondContact O-CG 3.46Å; P163-E167 PolarHBondContact O-N 2.69Å; E164-E167 PolarHBondContact O-N 3.16Å; V165-E167 PolarHBondContact O-N 2.54Å; E167-K170 PolarHBondContact O-N 3.48Å; E167-K170 IonicContact OE1-NZ 3.57Å; E167-K170 PolarHBondContact OE1-NZ 3.47Å; E167-K170 IonicContact OE2-NZ 3.58Å; E167-K170 PolarHBondContact OE2-NZ 3.23Å; E167-K171 WeakPolarHBondContact O-CB 3.45Å; E167-K171 PolarHBondContact O-N 3.14Å |
| 168 | L | 98.9 | Very high | 98.6 | Very high | 4 Ų | 4 | 44.8 Ų | 44.8 | 2% | 0.021 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.6 | -40.1 | 172 | -68.3 | 174.7 | 0 | 0 | 0 | 111.7 | P104 P126 D127 V130 L152 E164 V165 V166 K170 K171 Y172 | P104-L168 HydrophobicContact CG-CD1 4.06Å; P126-L168 HydrophobicContact CB-CD1 4.16Å; D127-L168 HydrophobicContact CB-CD2 3.8Å; V130-L168 HydrophobicContact CG2-CB 4.43Å; V130-L168 HydrophobicContact CG2-CD1 4.05Å; L152-L168 HydrophobicContact CD1-CB 3.62Å; E164-L168 HydrophobicContact CG-CD1 4.12Å; E164-L168 HydrophobicContact CG-CG 4.28Å; E164-L168 VanDerWaalsContact O-CG 3.3Å; E164-L168 WeakPolarHBondContact O-CG 3.44Å; E164-L168 PolarHBondContact O-N 3.32Å; V165-L168 WeakPolarHBondContact O-CB 3.15Å; V165-L168 PolarHBondContact O-N 3.44Å; V166-L168 VanDerWaalsContact C-N 3.34Å; L168-K170 VanDerWaalsContact C-N 3.33Å; L168-K170 PolarHBondContact O-N 3.34Å; L168-K171 PolarHBondContact O-N 2.93Å; L168-Y172 HydrophobicContact CD2-CD2 4.2Å; L168-Y172 HydrophobicContact CD2-CE2 3.89Å; L168-Y172 WeakPolarHBondContact O-CB 3.41Å; L168-Y172 WeakPolarHBondContact O-CD2 3.5Å; L168-Y172 PolarHBondContact O-N 3.49Å |
| 169 | C | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.007 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.6 | -47.1 | 172.7 | -66.3 | 0 | 0 | 0 | 0 | 111.4 | V165 V166 K171 Y172 Q173 V177 A179 I209 | V165-C169 PolarHBondContact O-N 2.85Å; V165-C169 PolarHBondContact O-SG 3.39Å; V166-C169 WeakPolarHBondContact O-CB 3.47Å; V166-C169 PolarHBondContact O-N 3.12Å; C169-K171 PolarHBondContact O-N 3.43Å; C169-Y172 PolarHBondContact O-N 3.42Å; C169-Q173 WeakPolarHBondContact O-CB 3.3Å; C169-Q173 PolarHBondContact O-N 3.42Å; C169-V177 HydrophobicContact CB-CG1 4.1Å; C169-A179 PolarHBondContact SG-O 3.15Å; C169-I209 HydrophobicContact CB-CD1 4.24Å; C169-I209 HydrophobicContact CB-CG1 4.35Å; C169-I209 HydrophobicContact CB-CG2 3.73Å |
| 170 | K | 98.9 | Very high | 98.6 | Very high | 51 Ų | 51 | 41.8 Ų | 41.8 | 22% | 0.222 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.6 | -42.7 | 176.5 | -70.4 | 161.8 | 59.9 | -178.3 | 0 | 112.1 | V166 E167 L168 Q173 E203 I209 | V166-K170 WeakPolarHBondContact O-CG 3.45Å; V166-K170 PolarHBondContact O-N 2.96Å; E167-K170 PolarHBondContact O-N 3.48Å; E167-K170 IonicContact OE1-NZ 3.57Å; E167-K170 PolarHBondContact OE1-NZ 3.47Å; E167-K170 IonicContact OE2-NZ 3.58Å; E167-K170 PolarHBondContact OE2-NZ 3.23Å; L168-K170 VanDerWaalsContact C-N 3.33Å; L168-K170 PolarHBondContact O-N 3.34Å; K170-Q173 WeakPolarHBondContact O-CG 3.19Å; K170-Q173 PolarHBondContact O-NE2 2.78Å; K170-E203 HydrophobicContact CD-CG 4.43Å; K170-E203 IonicContact NZ-OE1 3.51Å; K170-E203 PolarHBondContact NZ-OE1 3.41Å; K170-I209 HydrophobicContact CG-CD1 3.97Å; K170-I209 HydrophobicContact CG-CG1 3.89Å |
| 171 | K | 98.9 | Very high | 98.6 | Very high | 115 Ų | 115 | 37.5 Ų | 37.5 | 50% | 0.5 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -67 | -42.5 | -178.8 | -177.7 | 179.4 | 177.1 | -169.7 | 0 | 112.6 | D127 E167 L168 C169 | D127-K171 IonicContact OD1-NZ 3.42Å; D127-K171 PolarHBondContact OD1-NZ 2.82Å; D127-K171 WeakPolarHBondContact OD2-CD 3.41Å; D127-K171 IonicContact OD2-NZ 2.96Å; D127-K171 PolarHBondContact OD2-NZ 2.85Å; E167-K171 WeakPolarHBondContact O-CB 3.45Å; E167-K171 PolarHBondContact O-N 3.14Å; L168-K171 PolarHBondContact O-N 2.93Å; C169-K171 PolarHBondContact O-N 3.43Å |
| 172 | Y | 98.8 | Very high | 98.6 | Very high | 13 Ų | 13 | 37 Ų | 37 | 5% | 0.051 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -103.7 | 13.8 | -171.3 | -69.5 | -79.6 | 0 | 0 | 0 | 113.7 | D127 V130 A131 L168 C169 Q174 Q175 V177 | D127-Y172 PolarHBondContact O-OH 3.05Å; D127-Y172 VanDerWaalsContact O-OH 3.13Å; D127-Y172 PolarHBondContact OD1-OH 3.27Å; V130-Y172 HydrophobicContact CB-CD2 3.93Å; V130-Y172 HydrophobicContact CB-CE2 4Å; V130-Y172 HydrophobicContact CB-CG 4.33Å; V130-Y172 HydrophobicContact CG1-CD1 4.04Å; V130-Y172 HydrophobicContact CG1-CD2 3.46Å; V130-Y172 VanDerWaalsContact CG1-CD2 3.46Å; V130-Y172 HydrophobicContact CG1-CE2 4.03Å; V130-Y172 HydrophobicContact CG1-CG 3.47Å; V130-Y172 VanDerWaalsContact CG1-CG 3.47Å; A131-Y172 HydrophobicContact CB-CE1 3.86Å; L168-Y172 HydrophobicContact CD2-CD2 4.2Å; L168-Y172 HydrophobicContact CD2-CE2 3.89Å; L168-Y172 WeakPolarHBondContact O-CB 3.41Å; L168-Y172 WeakPolarHBondContact O-CD2 3.5Å; L168-Y172 PolarHBondContact O-N 3.49Å; C169-Y172 PolarHBondContact O-N 3.42Å; Y172-Q174 PolarHBondContact O-N 3.47Å; Y172-Q174 VanDerWaalsContact O-N 3.07Å; Y172-Q175 HydrophobicContact CD1-CB 4.07Å; Y172-Q175 HydrophobicContact CD1-CG 4.49Å; Y172-Q175 CarbonylContact O-C 3.26Å; Y172-Q175 VanDerWaalsContact O-C 3.26Å; Y172-Q175 WeakPolarHBondContact O-CA 3.47Å; Y172-Q175 PolarHBondContact O-N 2.96Å; Y172-V177 PolarHBondContact O-N 2.72Å |
| 173 | Q | 97 | Very high | 98.6 | Very high | 99 Ų | 99 | 37.2 Ų | 37.2 | 46% | 0.463 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -25.3 | 179.8 | 67.9 | -177.2 | -78 | 0 | 0 | 114.8 | C169 K170 V177 | C169-Q173 WeakPolarHBondContact O-CB 3.3Å; C169-Q173 PolarHBondContact O-N 3.42Å; K170-Q173 WeakPolarHBondContact O-CG 3.19Å; K170-Q173 PolarHBondContact O-NE2 2.78Å; Q173-V177 VanDerWaalsContact CA-O 3.28Å; Q173-V177 WeakPolarHBondContact CA-O 3.47Å |
| 174 | Q | 96.4 | Very high | 98.6 | Very high | 161 Ų | 161 | 35 Ų | 35 | 75% | 0.752 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.3 | 4.7 | 176.1 | -58.5 | -57.9 | -44.1 | 0 | 0 | 112.7 | Y172 | Y172-Q174 PolarHBondContact O-N 3.47Å; Y172-Q174 VanDerWaalsContact O-N 3.07Å |
| 175 | Q | 96.8 | Very high | 98.5 | Very high | 80 Ų | 80 | 33.6 Ų | 33.6 | 37% | 0.374 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -132.4 | 67.2 | -175.4 | -66.1 | 178.3 | 56.6 | 0 | 0 | 108.4 | A134 Y172 V177 | A134-Q175 HydrophobicContact CB-CB 4.23Å; A134-Q175 WeakPolarHBondContact CB-O 3.12Å; Y172-Q175 HydrophobicContact CD1-CB 4.07Å; Y172-Q175 HydrophobicContact CD1-CG 4.49Å; Y172-Q175 CarbonylContact O-C 3.26Å; Y172-Q175 VanDerWaalsContact O-C 3.26Å; Y172-Q175 WeakPolarHBondContact O-CA 3.47Å; Y172-Q175 PolarHBondContact O-N 2.96Å; Q175-V177 PolarHBondContact O-N 3.25Å |
| 176 | T | 98.6 | Very high | 98.5 | Very high | 8 Ų | 8 | 33.9 Ų | 33.9 | 5% | 0.049 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.6 | -25.4 | 179.7 | 73.9 | 0 | 0 | 0 | 0 | 117.3 | A134 L137 Q138 R149 S150 V178 | A134-T176 HydrophobicContact CB-CG2 4.4Å; L137-T176 HydrophobicContact CB-CG2 4.29Å; Q138-T176 HydrophobicContact CG-CG2 3.74Å; R149-T176 CarbonylContact C-O 3.53Å; R149-T176 VanDerWaalsContact CA-O 3.32Å; R149-T176 WeakPolarHBondContact CA-O 3.38Å; R149-T176 WeakPolarHBondContact CB-O 3.38Å; R149-T176 WeakPolarHBondContact CD-O 3.22Å; S150-T176 PolarHBondContact N-O 2.95Å; S150-T176 PolarHBondContact OG-O 3.16Å; S150-T176 PolarHBondContact OG-OG1 3.33Å; T176-V178 PolarHBondContact O-N 3.39Å |
| 177 | V | 98.9 | Very high | 98.4 | Very high | 3 Ų | 3 | 37.6 Ų | 37.6 | 2% | 0.018 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 123.5 | -177.1 | -176.1 | 0 | 0 | 0 | 0 | 111.3 | V130 S150 L152 C169 Y172 Q173 Q175 | V130-V177 HydrophobicContact CG1-CG2 3.76Å; S150-V177 CarbonylContact O-C 3.55Å; S150-V177 VanDerWaalsContact O-CA 3.29Å; S150-V177 WeakPolarHBondContact O-CA 3.43Å; S150-V177 WeakPolarHBondContact OG-CA 3.37Å; S150-V177 WeakPolarHBondContact OG-CG2 3.41Å; S150-V177 PolarHBondContact OG-N 2.88Å; L152-V177 HydrophobicContact CD1-CG1 4.13Å; L152-V177 HydrophobicContact CD1-CG2 4.24Å; L152-V177 HydrophobicContact CD2-CG2 4.27Å; L152-V177 HydrophobicContact CG-CG1 3.91Å; L152-V177 HydrophobicContact CG-CG2 4.22Å; C169-V177 HydrophobicContact CB-CG1 4.1Å; Y172-V177 PolarHBondContact O-N 2.72Å; Q173-V177 VanDerWaalsContact CA-O 3.28Å; Q173-V177 WeakPolarHBondContact CA-O 3.47Å; Q175-V177 PolarHBondContact O-N 3.25Å |
| 178 | V | 98.9 | Very high | 98.4 | Very high | 21 Ų | 21 | 35.1 Ų | 35.1 | 13% | 0.127 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | -20.7 | -177.7 | -67.9 | 0 | 0 | 0 | 0 | 113.9 | E99 R149 S150 I151 T176 H210 F334 | E99-V178 HydrophobicContact CG-CG2 4.34Å; R149-V178 HydrophobicContact CB-CB 4.4Å; R149-V178 HydrophobicContact CB-CG1 3.73Å; R149-V178 HydrophobicContact CB-CG2 3.75Å; R149-V178 HydrophobicContact CG-CG1 3.72Å; S150-V178 PolarHBondContact O-N 3.49Å; I151-V178 HydrophobicContact CG1-CG2 4.26Å; T176-V178 PolarHBondContact O-N 3.39Å; V178-H210 WeakPolarHBondContact O-CB 3.26Å; V178-F334 HydrophobicContact CB-CB 3.81Å; V178-F334 HydrophobicContact CG2-CB 3.79Å; V178-F334 HydrophobicContact CG2-CD2 4.49Å |
| 179 | A | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 167.2 | -176 | 0 | 0 | 0 | 0 | 0 | 113.8 | I151 L152 C169 H210 F334 | I151-A179 WeakPolarHBondContact CA-O 3.19Å; I151-A179 HydrophobicContact CD1-CB 4.21Å; I151-A179 HydrophobicContact CG1-CB 4.04Å; I151-A179 HydrophobicContact CG2-CB 4.11Å; L152-A179 PolarHBondContact N-O 3.5Å; L152-A179 VanDerWaalsContact N-O 3.12Å; C169-A179 PolarHBondContact SG-O 3.15Å; A179-H210 CarbonylContact C-O 3.16Å; A179-H210 VanDerWaalsContact CA-O 3.24Å; A179-H210 WeakPolarHBondContact CA-O 3.36Å; A179-H210 HydrophobicContact CB-CB 3.78Å; A179-H210 VanDerWaalsContact CB-O 3.31Å; A179-H210 WeakPolarHBondContact CB-O 3.45Å; A179-F334 HydrophobicContact CB-CD2 3.33Å; A179-F334 HydrophobicContact CB-CE2 3.49Å; A179-F334 VanDerWaalsContact CB-CE2 3.49Å; A179-F334 HydrophobicContact CB-CG 4.14Å; A179-F334 HydrophobicContact CB-CZ 4.44Å |
| 180 | I | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 146.7 | 163.7 | -169.1 | 168.8 | 0 | 0 | 0 | 110.1 | L152 C154 V165 V166 A200 Y201 A204 I209 H210 R211 T212 | L152-I180 WeakPolarHBondContact O-CA 3.31Å; C154-I180 WeakPolarHBondContact SG-CD1 3.48Å; V165-I180 HydrophobicContact CB-CD1 4.46Å; V165-I180 HydrophobicContact CG1-CD1 3.92Å; V165-I180 HydrophobicContact CG1-CG1 3.85Å; V166-I180 HydrophobicContact CB-CD1 4.03Å; I180-A200 HydrophobicContact CD1-CB 4.31Å; I180-Y201 HydrophobicContact CD1-CE2 4.32Å; I180-Y201 HydrophobicContact CG1-CE2 4.44Å; I180-Y201 HydrophobicContact CG2-CD1 4.38Å; I180-Y201 HydrophobicContact CG2-CE1 4.01Å; I180-A204 HydrophobicContact CG2-CB 3.96Å; I180-I209 HydrophobicContact CB-CG2 4.44Å; I180-I209 HydrophobicContact CG2-CG2 4.38Å; I180-H210 WeakPolarHBondContact CG2-O 3.41Å; I180-H210 PolarHBondContact N-O 2.84Å; I180-R211 HydrophobicContact CG2-CG 4Å; I180-T212 PolarHBondContact O-N 3.1Å |
| 181 | D | 99 | Very high | 98.2 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 163.9 | 170.7 | -173.5 | 21.7 | 0 | 0 | 0 | 111.5 | R101 I151 L152 C154 Y201 T212 V213 H214 | R101-D181 WeakPolarHBondContact CD-OD2 3.38Å; R101-D181 IonicContact CZ-OD2 3.43Å; R101-D181 IonicContact NE-OD2 2.61Å; R101-D181 IonicContact NH1-OD1 2.72Å; R101-D181 IonicContact NH1-OD2 3.2Å; R101-D181 PolarHBondContact NH1-OD2 3.06Å; I151-D181 HydrophobicContact CG2-CB 3.61Å; L152-D181 PolarHBondContact O-N 3.17Å; C154-D181 VanDerWaalsContact CB-O 3.31Å; C154-D181 WeakPolarHBondContact CB-O 3.28Å; C154-D181 PolarHBondContact N-O 3.05Å; D181-Y201 WeakPolarHBondContact CA-OH 3.43Å; D181-Y201 PolarHBondContact O-OH 2.88Å; D181-T212 VanDerWaalsContact CA-O 3.32Å; D181-T212 WeakPolarHBondContact CA-O 3.41Å; D181-T212 HydrophobicContact CB-CG2 3.73Å; D181-V213 WeakPolarHBondContact OD1-CA 3.46Å; D181-H214 PolarHBondContact OD1-N 2.83Å; D181-H214 IonicContact OD1-ND1 2.81Å; D181-H214 PolarHBondContact OD1-ND1 3.27Å; D181-H214 IonicContact OD2-CE1 3.67Å; D181-H214 PolarHBondContact OD2-CE1 3.47Å; D181-H214 IonicContact OD2-ND1 3.61Å; D181-H214 PolarHBondContact OD2-ND1 3.4Å; D181-H214 VanDerWaalsContact OD2-ND1 3.07Å |
| 182 | L | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 112.5 | 168.5 | 175.3 | 65.1 | 0 | 0 | 0 | 107.8 | C154 R156 Y201 V213 H214 L231 | C154-L182 HydrophobicContact CB-CD1 3.8Å; C154-L182 WeakPolarHBondContact O-CA 3.28Å; R156-L182 HydrophobicContact CG-CD1 3.81Å; R156-L182 HydrophobicContact CG-CD2 4.3Å; R156-L182 HydrophobicContact CG-CG 3.9Å; L182-Y201 HydrophobicContact CB-CE2 4.14Å; L182-Y201 WeakPolarHBondContact CB-OH 3.44Å; L182-Y201 PolarHBondContact N-OH 2.79Å; L182-V213 HydrophobicContact CB-CG1 4.24Å; L182-V213 HydrophobicContact CD2-CG1 4.4Å; L182-H214 VanDerWaalsContact O-CB 3.31Å; L182-H214 WeakPolarHBondContact O-CB 3.47Å; L182-H214 PolarHBondContact O-N 2.6Å; L182-H214 PolarHBondContact O-ND1 2.92Å; L182-L231 HydrophobicContact CD2-CD1 3.78Å |
| 183 | A | 98.7 | Very high | 98.2 | Very high | 3 Ų | 3 | 37.6 Ų | 37.6 | 3% | 0.025 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | -178.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112 | C153 C154 M155 R156 | C153-A183 HydrophobicContact CB-CB 4.25Å; C154-A183 PolarHBondContact O-N 3.02Å; M155-A183 WeakPolarHBondContact CA-O 3.38Å; M155-A183 HydrophobicContact SD-CB 4.43Å; R156-A183 WeakPolarHBondContact CG-O 3.48Å; R156-A183 PolarHBondContact N-O 3.11Å |
| 184 | G | 98.4 | Very high | 98.3 | Very high | 11 Ų | 11 | 35.9 Ų | 35.9 | 11% | 0.113 | 20% | 0.203 | C | C | . | . | S | Bend | trans | 93.7 | -164.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | E186 | G184-E186 PolarHBondContact O-N 3.43Š|
| 185 | D | 98.5 | Very high | 98.4 | Very high | 36 Ų | 36 | 32.5 Ų | 32.5 | 19% | 0.193 | 19% | 0.194 | C | C | . | . | trans | -65.8 | 105 | -169.9 | -173.5 | -1.7 | 0 | 0 | 0 | 113 | L62 R156 T187 I188 | L62-D185 HydrophobicContact CD1-CB 4.03Å; R156-D185 VanDerWaalsContact CD-C 3.45Å; R156-D185 WeakPolarHBondContact CD-O 3.3Å; D185-T187 VanDerWaalsContact CG-OG1 3.26Å; D185-T187 PolarHBondContact O-N 2.73Å; D185-T187 VanDerWaalsContact OD1-CB 3.29Å; D185-T187 WeakPolarHBondContact OD1-CB 3.45Å; D185-T187 WeakPolarHBondContact OD1-CG2 3.5Å; D185-T187 PolarHBondContact OD1-N 3.36Å; D185-T187 PolarHBondContact OD1-OG1 3.19Å; D185-T187 PolarHBondContact OD2-OG1 3.14Å; D185-I188 HydrophobicContact CB-CD1 4.09Å; D185-I188 HydrophobicContact CB-CG1 4.15Å; D185-I188 WeakPolarHBondContact O-CG1 3.49Å | ||
| 186 | E | 98.1 | Very high | 98.5 | Very high | 6 Ų | 6 | 29.2 Ų | 29.2 | 3% | 0.028 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -19.9 | 178.2 | -166.8 | -179.2 | -171.5 | 0 | 0 | 112.9 | L58 G184 I188 A215 G216 E217 V218 G219 V223 | L58-E186 HydrophobicContact CD2-CB 4.29Å; G184-E186 PolarHBondContact O-N 3.43Å; E186-I188 PolarHBondContact O-N 3.17Å; E186-A215 VanDerWaalsContact OE1-CA 3.24Å; E186-A215 WeakPolarHBondContact OE1-CA 3.47Å; E186-G216 PolarHBondContact OE1-N 3.09Å; E186-E217 WeakPolarHBondContact OE2-CB 3.33Å; E186-E217 PolarHBondContact OE2-N 3.42Å; E186-V218 HydrophobicContact CB-CG2 3.91Å; E186-V218 PolarHBondContact OE2-N 3.08Å; E186-G219 VanDerWaalsContact CD-CA 3.46Å; E186-G219 WeakPolarHBondContact OE1-CA 3.38Å; E186-G219 PolarHBondContact OE2-N 3.43Å; E186-V223 HydrophobicContact CG-CG1 3.98Å; E186-V223 WeakPolarHBondContact OE1-CB 3.47Å; E186-V223 WeakPolarHBondContact OE1-CG1 3.42Å |
| 187 | T | 96.9 | Very high | 98.5 | Very high | 81 Ų | 81 | 28.9 Ų | 28.9 | 50% | 0.497 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -9.4 | -175.5 | 73.7 | 0 | 0 | 0 | 0 | 113.7 | D185 P189 V218 | D185-T187 VanDerWaalsContact CG-OG1 3.26Å; D185-T187 PolarHBondContact O-N 2.73Å; D185-T187 VanDerWaalsContact OD1-CB 3.29Å; D185-T187 WeakPolarHBondContact OD1-CB 3.45Å; D185-T187 WeakPolarHBondContact OD1-CG2 3.5Å; D185-T187 PolarHBondContact OD1-N 3.36Å; D185-T187 PolarHBondContact OD1-OG1 3.19Å; D185-T187 PolarHBondContact OD2-OG1 3.14Å; T187-P189 WeakPolarHBondContact O-CD 3.29Å; T187-V218 HydrophobicContact CG2-CG2 3.94Å |
| 188 | I | 98.4 | Very high | 98.5 | Very high | 44 Ų | 44 | 29.8 Ų | 29.8 | 23% | 0.226 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -63.8 | 114.4 | 176.9 | -60.1 | 172.1 | 0 | 0 | 0 | 109.3 | R156 H157 D185 E186 G190 S191 F194 | R156-I188 HydrophobicContact CB-CD1 4.33Å; H157-I188 HydrophobicContact CB-CD1 3.7Å; D185-I188 HydrophobicContact CB-CD1 4.09Å; D185-I188 HydrophobicContact CB-CG1 4.15Å; D185-I188 WeakPolarHBondContact O-CG1 3.49Å; E186-I188 PolarHBondContact O-N 3.17Å; I188-G190 PolarHBondContact O-N 3.17Å; I188-S191 VanDerWaalsContact O-CB 3.25Å; I188-S191 WeakPolarHBondContact O-CB 3.49Å; I188-S191 PolarHBondContact O-N 2.86Å; I188-S191 VanDerWaalsContact O-N 3.08Å; I188-S191 PolarHBondContact O-OG 2.71Å; I188-F194 HydrophobicContact CG2-CE2 4.08Å; I188-F194 HydrophobicContact CG2-CZ 3.93Å |
| 189 | P | 97.7 | Very high | 98.5 | Very high | 117 Ų | 117 | 34 Ų | 34 | 76% | 0.76 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | 126.2 | -172.5 | -26.3 | 35.6 | 0 | 0 | 0 | 113 | T187 S191 | T187-P189 WeakPolarHBondContact O-CD 3.29Å; P189-S191 PolarHBondContact O-N 2.74Å |
| 190 | G | 97.7 | Very high | 98.5 | Very high | 36 Ų | 36 | 34.1 Ų | 34.1 | 37% | 0.371 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.7 | 14.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | I188 S192 L193 | I188-G190 PolarHBondContact O-N 3.17Å; G190-S192 VanDerWaalsContact C-N 3.27Å; G190-S192 PolarHBondContact O-N 3.25Å; G190-L193 WeakPolarHBondContact O-CB 3.22Å; G190-L193 PolarHBondContact O-N 3.4Å |
| 191 | S | 98.4 | Very high | 98.5 | Very high | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.014 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -58.2 | -36.2 | -175.8 | 54.3 | 0 | 0 | 0 | 0 | 113.1 | R156 I188 P189 L193 F194 H197 | R156-S191 PolarHBondContact NH1-OG 3.15Å; I188-S191 VanDerWaalsContact O-CB 3.25Å; I188-S191 WeakPolarHBondContact O-CB 3.49Å; I188-S191 PolarHBondContact O-N 2.86Å; I188-S191 VanDerWaalsContact O-N 3.08Å; I188-S191 PolarHBondContact O-OG 2.71Å; P189-S191 PolarHBondContact O-N 2.74Å; S191-L193 PolarHBondContact O-N 2.9Å; S191-F194 PolarHBondContact O-N 3.18Å; S191-H197 PolarHBondContact O-CD2 3.06Å; S191-H197 VanDerWaalsContact O-CD2 3.22Å |
| 192 | S | 98.4 | Very high | 98.5 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.007 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -59.8 | -22.5 | 176 | -32.6 | 0 | 0 | 0 | 0 | 113.1 | R156 G190 E226 | R156-S192 PolarHBondContact NH1-OG 3.43Å; G190-S192 VanDerWaalsContact C-N 3.27Å; G190-S192 PolarHBondContact O-N 3.25Å; S192-E226 WeakPolarHBondContact CB-OE2 3.22Å; S192-E226 PolarHBondContact OG-OE2 3Å |
| 193 | L | 98.8 | Very high | 98.5 | Very high | 81 Ų | 81 | 41.8 Ų | 41.8 | 42% | 0.424 | 24% | 0.24 | S | C | . | . | G | 310 helix | trans | -101.3 | 3.8 | -175.4 | -55.2 | -178.7 | 0 | 0 | 0 | 113.4 | G190 S191 E226 I230 | G190-L193 WeakPolarHBondContact O-CB 3.22Å; G190-L193 PolarHBondContact O-N 3.4Å; S191-L193 PolarHBondContact O-N 2.9Å; L193-E226 HydrophobicContact CD2-CB 4.35Å; L193-E226 HydrophobicContact CD2-CG 4.07Å; L193-E226 HydrophobicContact CG-CG 4.36Å; L193-I230 HydrophobicContact CD2-CB 4.21Å; L193-I230 HydrophobicContact CD2-CG1 3.95Å; L193-I230 HydrophobicContact CD2-CG2 3.98Å |
| 194 | F | 98.8 | Very high | 98.5 | Very high | 63 Ų | 63 | 41.6 Ų | 41.6 | 28% | 0.276 | 24% | 0.239 | S | C | . | . | trans | -61.3 | 135.4 | 175.2 | -64.5 | -24.4 | 0 | 0 | 0 | 110.4 | P159 I188 S191 G196 H197 V198 | P159-F194 HydrophobicContact CB-CB 3.78Å; P159-F194 HydrophobicContact CB-CD2 4.23Å; P159-F194 HydrophobicContact CB-CG 4.44Å; P159-F194 HydrophobicContact CG-CB 4.18Å; P159-F194 HydrophobicContact CG-CD2 3.94Å; P159-F194 HydrophobicContact CG-CG 4.37Å; I188-F194 HydrophobicContact CG2-CE2 4.08Å; I188-F194 HydrophobicContact CG2-CZ 3.93Å; S191-F194 PolarHBondContact O-N 3.18Å; F194-G196 VanDerWaalsContact C-N 3.31Å; F194-G196 PolarHBondContact O-N 3.32Å; F194-G196 VanDerWaalsContact O-N 3.16Å; F194-H197 PolarHBondContact O-N 3.15Å; F194-V198 PolarHBondContact O-N 3.26Å; F194-V198 VanDerWaalsContact O-N 3.14Å | ||
| 195 | P | 98.8 | Very high | 98.5 | Very high | 89 Ų | 89 | 44.4 Ų | 44.4 | 58% | 0.578 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -52.7 | -44.2 | -170.7 | -30.6 | 35.4 | 0 | 0 | 0 | 114.2 | H197 V198 E199 | P195-H197 VanDerWaalsContact C-N 3.3Å; P195-H197 PolarHBondContact O-N 3.08Å; P195-V198 PolarHBondContact O-N 2.94Å; P195-E199 VanDerWaalsContact O-CB 3.3Å; P195-E199 WeakPolarHBondContact O-CB 3.49Å; P195-E199 VanDerWaalsContact O-CG 3.22Å; P195-E199 WeakPolarHBondContact O-CG 3.38Å; P195-E199 PolarHBondContact O-N 2.91Å |
| 196 | G | 98.8 | Very high | 98.6 | Very high | 12 Ų | 12 | 50.5 Ų | 50.5 | 12% | 0.124 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.2 | -35.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | P159 S162 F194 A200 | P159-G196 WeakPolarHBondContact O-CA 3.48Å; S162-G196 VanDerWaalsContact CB-O 3.26Å; S162-G196 WeakPolarHBondContact CB-O 3.26Å; F194-G196 VanDerWaalsContact C-N 3.31Å; F194-G196 PolarHBondContact O-N 3.32Å; F194-G196 VanDerWaalsContact O-N 3.16Å; G196-A200 VanDerWaalsContact O-CB 3.28Å; G196-A200 WeakPolarHBondContact O-CB 3.4Å; G196-A200 PolarHBondContact O-N 2.85Å; G196-A200 VanDerWaalsContact O-N 3.16Å |
| 197 | H | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -70.4 | -51.3 | 173.8 | -60.4 | -41.2 | 0 | 0 | 0 | 110.7 | M155 R156 P159 S162 S191 F194 P195 E199 A200 Y201 | M155-H197 PolarHBondContact O-CE1 3.13Å; R156-H197 PolarHBondContact O-NE2 3.12Å; P159-H197 WeakPolarHBondContact CA-CE1 3.28Å; S162-H197 PolarHBondContact OG-CE1 2.71Å; S162-H197 VanDerWaalsContact OG-CE1 3.23Å; S162-H197 PolarHBondContact OG-ND1 3.41Å; S191-H197 PolarHBondContact O-CD2 3.06Å; S191-H197 VanDerWaalsContact O-CD2 3.22Å; F194-H197 PolarHBondContact O-N 3.15Å; P195-H197 VanDerWaalsContact C-N 3.3Å; P195-H197 PolarHBondContact O-N 3.08Å; H197-E199 VanDerWaalsContact C-N 3.32Å; H197-E199 PolarHBondContact O-N 3.24Å; H197-A200 PolarHBondContact O-N 3.36Å; H197-Y201 VanDerWaalsContact O-CD2 3.31Å; H197-Y201 WeakPolarHBondContact O-CD2 3.16Å; H197-Y201 PolarHBondContact O-N 2.93Å |
| 198 | V | 98.9 | Very high | 98.7 | Very high | 22 Ų | 22 | 51.3 Ų | 51.3 | 13% | 0.133 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.4 | -45.1 | -178.8 | 177 | 0 | 0 | 0 | 0 | 111.3 | F194 P195 Y201 Q202 I230 L231 | F194-V198 PolarHBondContact O-N 3.26Å; F194-V198 VanDerWaalsContact O-N 3.14Å; P195-V198 PolarHBondContact O-N 2.94Å; V198-Y201 PolarHBondContact O-N 3.26Å; V198-Q202 HydrophobicContact CG1-CG 4.42Å; V198-Q202 WeakPolarHBondContact O-CB 3.49Å; V198-Q202 VanDerWaalsContact O-CG 3.26Å; V198-Q202 WeakPolarHBondContact O-CG 3.29Å; V198-Q202 PolarHBondContact O-N 2.88Å; V198-I230 HydrophobicContact CG1-CG2 4.19Å; V198-I230 HydrophobicContact CG2-CG2 4.08Å; V198-L231 HydrophobicContact CG2-CD2 4.12Å |
| 199 | E | 98.9 | Very high | 98.7 | Very high | 110 Ų | 110 | 49.7 Ų | 49.7 | 51% | 0.514 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.4 | -43.7 | 177.4 | -72.3 | 169.1 | -166.4 | 0 | 0 | 111.9 | P195 H197 Y201 Q202 E203 | P195-E199 VanDerWaalsContact O-CB 3.3Å; P195-E199 WeakPolarHBondContact O-CB 3.49Å; P195-E199 VanDerWaalsContact O-CG 3.22Å; P195-E199 WeakPolarHBondContact O-CG 3.38Å; P195-E199 PolarHBondContact O-N 2.91Å; H197-E199 VanDerWaalsContact C-N 3.32Å; H197-E199 PolarHBondContact O-N 3.24Å; E199-Y201 PolarHBondContact O-N 3.24Å; E199-Q202 PolarHBondContact O-N 3.46Å; E199-E203 WeakPolarHBondContact O-CB 3.48Å; E199-E203 PolarHBondContact O-N 3.31Å |
| 200 | A | 98.9 | Very high | 98.7 | Very high | 2 Ų | 2 | 46.9 Ų | 46.9 | 2% | 0.017 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.8 | -41.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | S162 V166 I180 G196 H197 E203 A204 | S162-A200 WeakPolarHBondContact O-CB 3.14Å; V166-A200 HydrophobicContact CB-CB 4.25Å; V166-A200 HydrophobicContact CG1-CB 4.02Å; I180-A200 HydrophobicContact CD1-CB 4.31Å; G196-A200 VanDerWaalsContact O-CB 3.28Å; G196-A200 WeakPolarHBondContact O-CB 3.4Å; G196-A200 PolarHBondContact O-N 2.85Å; G196-A200 VanDerWaalsContact O-N 3.16Å; H197-A200 PolarHBondContact O-N 3.36Å; A200-E203 PolarHBondContact O-N 3.23Å; A200-A204 WeakPolarHBondContact O-CB 3.22Å; A200-A204 PolarHBondContact O-N 3.48Å |
| 201 | Y | 98.9 | Very high | 98.8 | Very high | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.008 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -72.7 | -33.9 | 177.4 | -84.9 | -99.3 | 0 | 0 | 0 | 112.8 | I180 D181 L182 H197 V198 E199 A204 V205 R211 T212 V213 L231 | I180-Y201 HydrophobicContact CD1-CE2 4.32Å; I180-Y201 HydrophobicContact CG1-CE2 4.44Å; I180-Y201 HydrophobicContact CG2-CD1 4.38Å; I180-Y201 HydrophobicContact CG2-CE1 4.01Å; D181-Y201 WeakPolarHBondContact CA-OH 3.43Å; D181-Y201 PolarHBondContact O-OH 2.88Å; L182-Y201 HydrophobicContact CB-CE2 4.14Å; L182-Y201 WeakPolarHBondContact CB-OH 3.44Å; L182-Y201 PolarHBondContact N-OH 2.79Å; H197-Y201 VanDerWaalsContact O-CD2 3.31Å; H197-Y201 WeakPolarHBondContact O-CD2 3.16Å; H197-Y201 PolarHBondContact O-N 2.93Å; V198-Y201 PolarHBondContact O-N 3.26Å; E199-Y201 PolarHBondContact O-N 3.24Å; Y201-A204 WeakPolarHBondContact O-CB 3.29Å; Y201-A204 PolarHBondContact O-N 2.93Å; Y201-V205 WeakPolarHBondContact O-CG2 3.37Å; Y201-V205 PolarHBondContact O-N 3.12Å; Y201-R211 HydrophobicContact CD1-CB 4.12Å; Y201-R211 HydrophobicContact CD1-CG 3.88Å; Y201-R211 HydrophobicContact CE1-CB 3.98Å; Y201-R211 HydrophobicContact CE1-CG 4.14Å; Y201-T212 PolarHBondContact OH-O 2.65Å; Y201-V213 HydrophobicContact CD1-CG2 4.48Å; Y201-V213 HydrophobicContact CE1-CG2 3.54Å; Y201-V213 WeakPolarHBondContact OH-CG2 3.45Å; Y201-L231 HydrophobicContact CD1-CB 3.79Å; Y201-L231 WeakPolarHBondContact CD1-O 3.37Å; Y201-L231 HydrophobicContact CD2-CD2 4.11Å; Y201-L231 HydrophobicContact CE1-CB 4.28Å; Y201-L231 HydrophobicContact CG-CB 3.92Å; Y201-L231 HydrophobicContact CG-CD2 4.03Å; Y201-L231 HydrophobicContact CG-CG 4.43Å |
| 202 | Q | 98.9 | Very high | 98.8 | Very high | 117 Ų | 117 | 46.4 Ų | 46.4 | 55% | 0.547 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63 | -42.4 | 170.5 | -75.1 | 175.4 | 3.6 | 0 | 0 | 111.6 | V198 E199 A204 V205 K206 | V198-Q202 HydrophobicContact CG1-CG 4.42Å; V198-Q202 WeakPolarHBondContact O-CB 3.49Å; V198-Q202 VanDerWaalsContact O-CG 3.26Å; V198-Q202 WeakPolarHBondContact O-CG 3.29Å; V198-Q202 PolarHBondContact O-N 2.88Å; E199-Q202 PolarHBondContact O-N 3.46Å; Q202-A204 VanDerWaalsContact C-N 3.33Å; Q202-V205 PolarHBondContact O-N 3.04Å; Q202-K206 WeakPolarHBondContact O-CB 3.33Å; Q202-K206 PolarHBondContact O-N 2.91Å |
| 203 | E | 98.9 | Very high | 98.9 | Very high | 42 Ų | 42 | 46.4 Ų | 46.4 | 20% | 0.196 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66 | -37.2 | 173.8 | 179.7 | 56.8 | -155 | 0 | 0 | 111.3 | V166 K170 E199 A200 K206 S207 | V166-E203 HydrophobicContact CG1-CB 4.34Å; V166-E203 HydrophobicContact CG1-CG 4.2Å; V166-E203 HydrophobicContact CG2-CB 4.3Å; V166-E203 HydrophobicContact CG2-CG 4.09Å; K170-E203 HydrophobicContact CD-CG 4.43Å; K170-E203 IonicContact NZ-OE1 3.51Å; K170-E203 PolarHBondContact NZ-OE1 3.41Å; E199-E203 WeakPolarHBondContact O-CB 3.48Å; E199-E203 PolarHBondContact O-N 3.31Å; A200-E203 PolarHBondContact O-N 3.23Å; E203-K206 PolarHBondContact O-N 3.49Å; E203-K206 IonicContact OE2-NZ 3.77Å; E203-S207 VanDerWaalsContact O-CB 3.27Å; E203-S207 WeakPolarHBondContact O-CB 3.27Å; E203-S207 PolarHBondContact O-N 2.86Å; E203-S207 PolarHBondContact OE1-OG 3.36Å |
| 204 | A | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.5 | -45.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | V166 I180 A200 Y201 Q202 K206 S207 G208 I209 R211 | V166-A204 HydrophobicContact CG2-CB 4.07Å; I180-A204 HydrophobicContact CG2-CB 3.96Å; A200-A204 WeakPolarHBondContact O-CB 3.22Å; A200-A204 PolarHBondContact O-N 3.48Å; Y201-A204 WeakPolarHBondContact O-CB 3.29Å; Y201-A204 PolarHBondContact O-N 2.93Å; Q202-A204 VanDerWaalsContact C-N 3.33Å; A204-K206 PolarHBondContact O-N 3.29Å; A204-S207 PolarHBondContact O-N 3.3Å; A204-G208 PolarHBondContact O-N 3.44Å; A204-I209 HydrophobicContact CB-CB 3.94Å; A204-I209 HydrophobicContact CB-CG2 4.34Å; A204-I209 PolarHBondContact O-N 3.08Å; A204-R211 HydrophobicContact CB-CG 3.97Å |
| 205 | V | 98.9 | Very high | 98.9 | Very high | 69 Ų | 69 | 40.1 Ų | 40.1 | 42% | 0.418 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -58 | -49.3 | 173.1 | 171.5 | 0 | 0 | 0 | 0 | 110.9 | Y201 Q202 S207 G208 K232 | Y201-V205 WeakPolarHBondContact O-CG2 3.37Å; Y201-V205 PolarHBondContact O-N 3.12Å; Q202-V205 PolarHBondContact O-N 3.04Å; V205-S207 VanDerWaalsContact C-N 3.32Å; V205-S207 PolarHBondContact O-N 2.8Å; V205-G208 PolarHBondContact O-N 3.1Å; V205-K232 HydrophobicContact CG2-CB 3.75Å; V205-K232 HydrophobicContact CG2-CG 4.16Å |
| 206 | K | 98.9 | Very high | 98.9 | Very high | 164 Ų | 164 | 35.9 Ų | 35.9 | 71% | 0.713 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -64.1 | -36.3 | -177.5 | -180 | -177.6 | 165.5 | -157 | 0 | 112.9 | Q202 E203 A204 | Q202-K206 WeakPolarHBondContact O-CB 3.33Å; Q202-K206 PolarHBondContact O-N 2.91Å; E203-K206 PolarHBondContact O-N 3.49Å; E203-K206 IonicContact OE2-NZ 3.77Å; A204-K206 PolarHBondContact O-N 3.29Å |
| 207 | S | 98.6 | Very high | 98.9 | Very high | 47 Ų | 47 | 35.6 Ų | 35.6 | 33% | 0.329 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -94 | 2.6 | -177.1 | -76.1 | 0 | 0 | 0 | 0 | 113.8 | E203 A204 V205 I209 | E203-S207 VanDerWaalsContact O-CB 3.27Å; E203-S207 WeakPolarHBondContact O-CB 3.27Å; E203-S207 PolarHBondContact O-N 2.86Å; E203-S207 PolarHBondContact OE1-OG 3.36Å; A204-S207 PolarHBondContact O-N 3.3Å; V205-S207 VanDerWaalsContact C-N 3.32Å; V205-S207 PolarHBondContact O-N 2.8Å; S207-I209 VanDerWaalsContact C-N 3.29Å; S207-I209 PolarHBondContact O-N 3.3Å |
| 208 | G | 98.6 | Very high | 98.8 | Very high | 57 Ų | 57 | 37.6 Ų | 37.6 | 59% | 0.588 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68.8 | 23.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | A204 V205 | A204-G208 PolarHBondContact O-N 3.44Å; V205-G208 PolarHBondContact O-N 3.1Å |
| 209 | I | 98.9 | Very high | 98.7 | Very high | 10 Ų | 10 | 37.1 Ų | 37.1 | 5% | 0.051 | 20% | 0.201 | C | C | . | . | trans | -81 | 128.4 | 172.9 | -57.8 | -59.3 | 0 | 0 | 0 | 108.4 | C169 K170 I180 A204 S207 R211 | C169-I209 HydrophobicContact CB-CD1 4.24Å; C169-I209 HydrophobicContact CB-CG1 4.35Å; C169-I209 HydrophobicContact CB-CG2 3.73Å; K170-I209 HydrophobicContact CG-CD1 3.97Å; K170-I209 HydrophobicContact CG-CG1 3.89Å; I180-I209 HydrophobicContact CB-CG2 4.44Å; I180-I209 HydrophobicContact CG2-CG2 4.38Å; A204-I209 HydrophobicContact CB-CB 3.94Å; A204-I209 HydrophobicContact CB-CG2 4.34Å; A204-I209 PolarHBondContact O-N 3.08Å; S207-I209 VanDerWaalsContact C-N 3.29Å; S207-I209 PolarHBondContact O-N 3.3Å; I209-R211 PolarHBondContact O-NH1 3.36Å | ||
| 210 | H | 98.9 | Very high | 98.7 | Very high | 58 Ų | 58 | 34.6 Ų | 34.6 | 27% | 0.269 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 155.1 | 179.5 | -72.9 | -63.6 | 0 | 0 | 0 | 113.1 | V178 A179 I180 E234 F334 | V178-H210 WeakPolarHBondContact O-CB 3.26Å; A179-H210 CarbonylContact C-O 3.16Å; A179-H210 VanDerWaalsContact CA-O 3.24Å; A179-H210 WeakPolarHBondContact CA-O 3.36Å; A179-H210 HydrophobicContact CB-CB 3.78Å; A179-H210 VanDerWaalsContact CB-O 3.31Å; A179-H210 WeakPolarHBondContact CB-O 3.45Å; I180-H210 WeakPolarHBondContact CG2-O 3.41Å; I180-H210 PolarHBondContact N-O 2.84Å; H210-E234 WeakPolarHBondContact CA-OE2 3.47Å; H210-E234 WeakPolarHBondContact CB-OE2 3.14Å; H210-E234 IonicContact CE1-OE1 2.69Å; H210-E234 IonicContact CG-OE2 2.82Å; H210-E234 IonicContact ND1-OE1 3.56Å; H210-E234 PolarHBondContact ND1-OE1 3.32Å; H210-E234 IonicContact ND1-OE2 3.76Å; H210-E234 PolarHBondContact ND1-OE2 3.16Å; H210-F334 HydrophobicContact CB-CB 4Å; H210-F334 HydrophobicContact CB-CD1 3.35Å; H210-F334 HydrophobicContact CB-CD2 3.97Å; H210-F334 HydrophobicContact CB-CE1 3.64Å; H210-F334 HydrophobicContact CB-CE2 4.18Å; H210-F334 HydrophobicContact CB-CG 3.51Å; H210-F334 HydrophobicContact CB-CZ 4.02Å; H210-F334 AromaticContact CD2-CD1 3.82Å; H210-F334 AromaticContact CD2-CG 3.98Å; H210-F334 AromaticContact CG-CD1 3.33Å; H210-F334 AromaticContact CG-CE1 3.93Å; H210-F334 AromaticContact CG-CG 3.74Å; H210-F334 AromaticContact ND1-CD1 3.62Å |
| 211 | R | 98.9 | Very high | 98.7 | Very high | 29 Ų | 29 | 34.8 Ų | 34.8 | 11% | 0.109 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 120.8 | -167.8 | -62.6 | 160.9 | -54 | -68.4 | -4.2 | 110.9 | I180 Y201 A204 I209 K232 T233 E234 R235 | I180-R211 HydrophobicContact CG2-CG 4Å; Y201-R211 HydrophobicContact CD1-CB 4.12Å; Y201-R211 HydrophobicContact CD1-CG 3.88Å; Y201-R211 HydrophobicContact CE1-CB 3.98Å; Y201-R211 HydrophobicContact CE1-CG 4.14Å; A204-R211 HydrophobicContact CB-CG 3.97Å; I209-R211 PolarHBondContact O-NH1 3.36Å; R211-K232 PolarHBondContact NE-O 3.17Å; R211-T233 PolarHBondContact O-OG1 3.25Å; R211-E234 IonicContact CZ-OE1 2.83Å; R211-E234 IonicContact CZ-OE2 3.36Å; R211-E234 PolarHBondContact N-OE2 2.85Å; R211-E234 IonicContact NH1-OE2 3.63Å; R211-E234 PolarHBondContact NH1-OE2 2.71Å; R211-E234 IonicContact NH2-OE1 3.67Å; R211-E234 PolarHBondContact NH2-OE1 3.32Å; R211-E234 IonicContact NH2-OE2 3.58Å; R211-E234 PolarHBondContact NH2-OE2 3.04Å; R211-E234 WeakPolarHBondContact O-CB 3.42Å; R211-E234 PolarHBondContact O-N 3.14Å; R211-R235 PolarHBondContact O-N 3.32Å |
| 212 | T | 99 | Very high | 98.7 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 157.3 | 161.9 | -172 | 0 | 0 | 0 | 0 | 108.7 | I151 I180 D181 Y201 T233 R235 E260 F334 | I151-T212 HydrophobicContact CD1-CG2 4.19Å; I151-T212 HydrophobicContact CG2-CG2 4.24Å; I180-T212 PolarHBondContact O-N 3.1Å; D181-T212 VanDerWaalsContact CA-O 3.32Å; D181-T212 WeakPolarHBondContact CA-O 3.41Å; D181-T212 HydrophobicContact CB-CG2 3.73Å; Y201-T212 PolarHBondContact OH-O 2.65Å; T212-T233 VanDerWaalsContact CA-OG1 3.29Å; T212-T233 WeakPolarHBondContact CA-OG1 3.42Å; T212-R235 PolarHBondContact OG1-O 3.39Å; T212-E260 PolarHBondContact OG1-OE1 2.92Å; T212-E260 PolarHBondContact OG1-OE2 3.41Å; T212-F334 HydrophobicContact CG2-CE2 4.34Å |
| 213 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 130.7 | 179.5 | 173.3 | 0 | 0 | 0 | 0 | 108.4 | D181 L182 Y201 A215 A227 L231 T233 R235 G237 | D181-V213 WeakPolarHBondContact OD1-CA 3.46Å; L182-V213 HydrophobicContact CB-CG1 4.24Å; L182-V213 HydrophobicContact CD2-CG1 4.4Å; Y201-V213 HydrophobicContact CD1-CG2 4.48Å; Y201-V213 HydrophobicContact CE1-CG2 3.54Å; Y201-V213 WeakPolarHBondContact OH-CG2 3.45Å; V213-A215 HydrophobicContact CG1-CB 4.14Å; V213-A215 PolarHBondContact O-N 3.01Å; V213-A227 HydrophobicContact CB-CB 3.94Å; V213-A227 HydrophobicContact CG1-CB 3.66Å; V213-A227 HydrophobicContact CG2-CB 4.34Å; V213-L231 HydrophobicContact CG1-CD1 4.29Å; V213-L231 HydrophobicContact CG2-CB 4.27Å; V213-L231 HydrophobicContact CG2-CD1 3.99Å; V213-T233 PolarHBondContact N-OG1 3.24Å; V213-R235 PolarHBondContact N-O 2.91Å; V213-G237 PolarHBondContact O-N 3.42Å |
| 214 | H | 98.9 | Very high | 98.7 | Very high | 12 Ų | 12 | 33 Ų | 33 | 6% | 0.056 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 111.8 | 164 | -73.1 | 62.5 | 0 | 0 | 0 | 109.1 | H15 H17 R101 R156 D181 L182 H238 | H15-H214 AromaticContact CE1-CD2 3.86Å; H15-H214 AromaticContact CE1-CE1 3.36Å; H15-H214 PolarHBondContact CE1-CE1 3.35Å; H15-H214 AromaticContact CE1-ND1 3.93Å; H15-H214 AromaticContact CE1-NE2 3.31Å; H15-H214 PolarHBondContact CE1-NE2 3.36Å; H15-H214 VanDerWaalsContact CE1-NE2 3.31Å; H15-H214 AromaticContact NE2-CD2 4Å; H15-H214 AromaticContact NE2-CE1 3.51Å; H15-H214 AromaticContact NE2-NE2 3.17Å; H15-H214 PolarHBondContact NE2-NE2 2.98Å; H15-H214 VanDerWaalsContact NE2-NE2 3.17Å; H17-H214 AromaticContact NE2-CE1 3.49Å; H17-H214 PolarHBondContact NE2-CE1 2.9Å; H17-H214 AromaticContact NE2-NE2 3.43Å; H17-H214 PolarHBondContact NE2-NE2 3.3Å; R101-H214 PolarHBondContact NH1-CE1 3.45Å; R156-H214 PolarHBondContact NH2-O 2.86Å; D181-H214 PolarHBondContact OD1-N 2.83Å; D181-H214 IonicContact OD1-ND1 2.81Å; D181-H214 PolarHBondContact OD1-ND1 3.27Å; D181-H214 IonicContact OD2-CE1 3.67Å; D181-H214 PolarHBondContact OD2-CE1 3.47Å; D181-H214 IonicContact OD2-ND1 3.61Å; D181-H214 PolarHBondContact OD2-ND1 3.4Å; D181-H214 VanDerWaalsContact OD2-ND1 3.07Å; L182-H214 VanDerWaalsContact O-CB 3.31Å; L182-H214 WeakPolarHBondContact O-CB 3.47Å; L182-H214 PolarHBondContact O-N 2.6Å; L182-H214 PolarHBondContact O-ND1 2.92Å; H214-H238 AromaticContact CD2-CD2 3.55Å; H214-H238 AromaticContact CD2-NE2 3.16Å; H214-H238 PolarHBondContact CD2-NE2 3.02Å; H214-H238 AromaticContact NE2-NE2 3.64Å |
| 215 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 145.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | E186 V213 E217 V223 V224 A227 L236 G237 G239 | E186-A215 VanDerWaalsContact OE1-CA 3.24Å; E186-A215 WeakPolarHBondContact OE1-CA 3.47Å; V213-A215 HydrophobicContact CG1-CB 4.14Å; V213-A215 PolarHBondContact O-N 3.01Å; A215-E217 PolarHBondContact O-N 3.38Å; A215-V223 HydrophobicContact CB-CG1 4.06Å; A215-V224 HydrophobicContact CB-CG2 4.23Å; A215-A227 HydrophobicContact CB-CB 3.8Å; A215-L236 HydrophobicContact CB-CD2 4Å; A215-G237 PolarHBondContact N-O 2.93Å; A215-G237 VanDerWaalsContact N-O 3.15Å; A215-G239 WeakPolarHBondContact O-CA 3.35Å; A215-G239 PolarHBondContact O-N 3.44Å |
| 216 | G | 98.7 | Very high | 98.7 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | S | Bend | trans | 70.5 | 20.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | E186 G219 G239 Y240 H241 | E186-G216 PolarHBondContact OE1-N 3.09Å; G216-G219 WeakPolarHBondContact CA-O 3.36Å; G216-G239 CarbonylContact O-C 3.52Å; G216-Y240 PolarHBondContact O-N 3.32Å; G216-H241 PolarHBondContact O-N 3.41Å; G216-H241 PolarHBondContact O-ND1 3.03Å |
| 217 | E | 98.6 | Very high | 98.7 | Very high | 6 Ų | 6 | 26.5 Ų | 26.5 | 3% | 0.028 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -75.3 | -63.7 | 172.1 | -170.5 | -158.6 | 158.1 | 0 | 0 | 109.1 | E186 A215 H238 Y240 H241 T269 A271 | E186-E217 WeakPolarHBondContact OE2-CB 3.33Å; E186-E217 PolarHBondContact OE2-N 3.42Å; A215-E217 PolarHBondContact O-N 3.38Å; E217-H238 HydrophobicContact CB-CB 3.8Å; E217-H238 VanDerWaalsContact CB-CD2 3.45Å; E217-H238 WeakPolarHBondContact CB-CD2 3.4Å; E217-H238 HydrophobicContact CG-CB 4.01Å; E217-H238 VanDerWaalsContact CG-CD2 3.49Å; E217-H238 WeakPolarHBondContact CG-CD2 3.31Å; E217-H238 IonicContact OE2-CD2 2.68Å; E217-H238 IonicContact OE2-NE2 3.79Å; E217-Y240 HydrophobicContact CG-CE2 4.24Å; E217-H241 PolarHBondContact O-CE1 3.41Å; E217-H241 PolarHBondContact O-ND1 2.81Å; E217-T269 PolarHBondContact OE1-OG1 3.3Å; E217-A271 HydrophobicContact CG-CB 3.83Å; E217-A271 WeakPolarHBondContact O-CB 3.4Å |
| 218 | V | 97.9 | Very high | 98.7 | Very high | 43 Ų | 43 | 24.8 Ų | 24.8 | 26% | 0.261 | 15% | 0.145 | S | C | . | . | S | Bend | trans | -119.7 | -17.2 | 174.1 | -59.8 | 0 | 0 | 0 | 0 | 111.8 | L58 E186 T187 A271 | L58-V218 HydrophobicContact CB-CG1 4.04Å; L58-V218 HydrophobicContact CB-CG2 4.25Å; L58-V218 HydrophobicContact CD2-CG2 3.58Å; E186-V218 HydrophobicContact CB-CG2 3.91Å; E186-V218 PolarHBondContact OE2-N 3.08Å; T187-V218 HydrophobicContact CG2-CG2 3.94Å; V218-A271 HydrophobicContact CG1-CB 4.05Å |
| 219 | G | 97.4 | Very high | 98.7 | Very high | 11 Ų | 11 | 24.6 Ų | 24.6 | 11% | 0.113 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -77 | 162.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | E186 G216 H241 | E186-G219 VanDerWaalsContact CD-CA 3.46Å; E186-G219 WeakPolarHBondContact OE1-CA 3.38Å; E186-G219 PolarHBondContact OE2-N 3.43Å; G216-G219 WeakPolarHBondContact CA-O 3.36Å; G219-H241 WeakPolarHBondContact O-CB 3.28Å; G219-H241 VanDerWaalsContact O-CG 3.31Å |
| 220 | S | 98.5 | Very high | 98.7 | Very high | 57 Ų | 57 | 27.8 Ų | 27.8 | 40% | 0.399 | 15% | 0.146 | S | C | . | . | trans | -78.3 | 173.7 | -178.1 | 68.4 | 0 | 0 | 0 | 0 | 112.8 | E222 V223 | S220-E222 PolarHBondContact O-N 2.9Å; S220-E222 PolarHBondContact OG-N 2.96Å; S220-V223 PolarHBondContact O-N 3.4Å | ||
| 221 | A | 98.6 | Very high | 98.7 | Very high | 7 Ų | 7 | 25 Ų | 25 | 6% | 0.058 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -52.6 | -22.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | V224 K225 D245 L248 | A221-V224 WeakPolarHBondContact O-CB 3.45Å; A221-V224 PolarHBondContact O-N 3.46Å; A221-K225 WeakPolarHBondContact O-CG 3.45Å; A221-K225 PolarHBondContact O-N 2.84Å; A221-D245 HydrophobicContact CB-CB 3.79Å; A221-L248 HydrophobicContact CB-CD2 3.98Å; A221-L248 WeakPolarHBondContact O-CD2 3.48Å |
| 222 | E | 98.7 | Very high | 98.7 | Very high | 103 Ų | 103 | 28.9 Ų | 28.9 | 48% | 0.481 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -68.4 | -36.8 | 175.1 | -65.6 | -57.7 | 127.7 | 0 | 0 | 111.9 | S220 V224 K225 E226 | S220-E222 PolarHBondContact O-N 2.9Å; S220-E222 PolarHBondContact OG-N 2.96Å; E222-V224 PolarHBondContact O-N 3.22Å; E222-K225 WeakPolarHBondContact O-CB 3.45Å; E222-K225 PolarHBondContact O-N 2.92Å; E222-K225 VanDerWaalsContact O-N 3.12Å; E222-K225 IonicContact OE1-NZ 3.51Å; E222-K225 PolarHBondContact OE1-NZ 2.68Å; E222-E226 WeakPolarHBondContact O-CG 3.43Å; E222-E226 PolarHBondContact O-N 2.83Å |
| 223 | V | 98.8 | Very high | 98.7 | Very high | 20 Ų | 20 | 29.3 Ų | 29.3 | 12% | 0.121 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.5 | -34.2 | 175.2 | -173.4 | 0 | 0 | 0 | 0 | 110.5 | E186 A215 S220 E226 A227 | E186-V223 HydrophobicContact CG-CG1 3.98Å; E186-V223 WeakPolarHBondContact OE1-CB 3.47Å; E186-V223 WeakPolarHBondContact OE1-CG1 3.42Å; A215-V223 HydrophobicContact CB-CG1 4.06Å; S220-V223 PolarHBondContact O-N 3.4Å; V223-E226 PolarHBondContact O-N 3.06Å; V223-A227 PolarHBondContact O-N 2.61Å |
| 224 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.7 | -43.8 | 171.9 | 179.4 | 0 | 0 | 0 | 0 | 111.1 | A215 A221 E222 E226 A227 V228 L236 L248 L252 | A215-V224 HydrophobicContact CB-CG2 4.23Å; A221-V224 WeakPolarHBondContact O-CB 3.45Å; A221-V224 PolarHBondContact O-N 3.46Å; E222-V224 PolarHBondContact O-N 3.22Å; V224-E226 VanDerWaalsContact C-N 3.32Å; V224-E226 PolarHBondContact O-N 3.06Å; V224-A227 WeakPolarHBondContact O-CB 3.15Å; V224-A227 PolarHBondContact O-N 3.35Å; V224-V228 HydrophobicContact CG1-CG2 4.37Å; V224-V228 WeakPolarHBondContact O-CG2 3.14Å; V224-V228 PolarHBondContact O-N 2.97Å; V224-L236 HydrophobicContact CG1-CD1 3.62Å; V224-L236 HydrophobicContact CG1-CD2 4.02Å; V224-L248 HydrophobicContact CB-CD2 4.03Å; V224-L248 HydrophobicContact CG1-CD2 3.92Å; V224-L252 HydrophobicContact CG1-CD1 3.87Å |
| 225 | K | 98.9 | Very high | 98.7 | Very high | 53 Ų | 53 | 32.2 Ų | 32.2 | 23% | 0.23 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.3 | -43.4 | 174.5 | -71.2 | 171.9 | -172.5 | 167.3 | 0 | 111.3 | A221 E222 A227 V228 D229 D245 L248 | A221-K225 WeakPolarHBondContact O-CG 3.45Å; A221-K225 PolarHBondContact O-N 2.84Å; E222-K225 WeakPolarHBondContact O-CB 3.45Å; E222-K225 PolarHBondContact O-N 2.92Å; E222-K225 VanDerWaalsContact O-N 3.12Å; E222-K225 IonicContact OE1-NZ 3.51Å; E222-K225 PolarHBondContact OE1-NZ 2.68Å; K225-A227 PolarHBondContact O-N 3.04Å; K225-V228 PolarHBondContact O-N 3.44Å; K225-D229 WeakPolarHBondContact O-CA 3.39Å; K225-D229 VanDerWaalsContact O-CB 3.24Å; K225-D229 WeakPolarHBondContact O-CB 3.18Å; K225-D229 PolarHBondContact O-N 2.97Å; K225-D245 WeakPolarHBondContact CE-OD2 3.27Å; K225-D245 IonicContact NZ-OD2 3.05Å; K225-D245 PolarHBondContact NZ-OD2 2.73Å; K225-L248 HydrophobicContact CG-CD1 3.86Å; K225-L248 HydrophobicContact CG-CD2 3.86Å; K225-L248 HydrophobicContact CG-CG 4.43Å |
| 226 | E | 98.9 | Very high | 98.7 | Very high | 44 Ų | 44 | 32.2 Ų | 32.2 | 21% | 0.206 | 17% | 0.167 | C | C | . | . | I | π-helix | trans | -60.2 | -45.3 | 175.3 | -66.5 | 172.8 | 165.5 | 0 | 0 | 111.6 | S192 L193 E222 V223 V224 V228 I230 L231 | S192-E226 WeakPolarHBondContact CB-OE2 3.22Å; S192-E226 PolarHBondContact OG-OE2 3Å; L193-E226 HydrophobicContact CD2-CB 4.35Å; L193-E226 HydrophobicContact CD2-CG 4.07Å; L193-E226 HydrophobicContact CG-CG 4.36Å; E222-E226 WeakPolarHBondContact O-CG 3.43Å; E222-E226 PolarHBondContact O-N 2.83Å; V223-E226 PolarHBondContact O-N 3.06Å; V224-E226 VanDerWaalsContact C-N 3.32Å; V224-E226 PolarHBondContact O-N 3.06Å; E226-V228 VanDerWaalsContact C-N 3.35Å; E226-V228 PolarHBondContact O-N 2.79Å; E226-I230 WeakPolarHBondContact O-CA 3.41Å; E226-I230 VanDerWaalsContact O-CB 3.23Å; E226-I230 WeakPolarHBondContact O-CB 3.41Å; E226-I230 PolarHBondContact O-N 2.69Å; E226-L231 PolarHBondContact O-N 3.36Å |
| 227 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | I | π-helix | trans | -59.9 | -43 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | V213 A215 V223 V224 K225 L231 K232 T233 L236 | V213-A227 HydrophobicContact CB-CB 3.94Å; V213-A227 HydrophobicContact CG1-CB 3.66Å; V213-A227 HydrophobicContact CG2-CB 4.34Å; A215-A227 HydrophobicContact CB-CB 3.8Å; V223-A227 PolarHBondContact O-N 2.61Å; V224-A227 WeakPolarHBondContact O-CB 3.15Å; V224-A227 PolarHBondContact O-N 3.35Å; K225-A227 PolarHBondContact O-N 3.04Å; A227-L231 CarbonylContact O-C 3.43Å; A227-L231 WeakPolarHBondContact O-CB 3.49Å; A227-K232 PolarHBondContact O-N 3.49Å; A227-K232 VanDerWaalsContact O-N 3.09Å; A227-T233 HydrophobicContact CB-CG2 4.14Å; A227-T233 WeakPolarHBondContact O-CB 3.41Å; A227-T233 PolarHBondContact O-N 3.22Å; A227-L236 HydrophobicContact CB-CD2 4.07Å |
| 228 | V | 98.9 | Very high | 98.7 | Very high | 11 Ų | 11 | 31.9 Ų | 31.9 | 7% | 0.067 | 17% | 0.166 | C | C | . | . | I | π-helix | trans | -79.6 | -50.2 | -177.6 | 176 | 0 | 0 | 0 | 0 | 111.8 | V224 K225 E226 K232 T233 L236 L252 M257 | V224-V228 HydrophobicContact CG1-CG2 4.37Å; V224-V228 WeakPolarHBondContact O-CG2 3.14Å; V224-V228 PolarHBondContact O-N 2.97Å; K225-V228 PolarHBondContact O-N 3.44Å; E226-V228 VanDerWaalsContact C-N 3.35Å; E226-V228 PolarHBondContact O-N 2.79Å; V228-K232 VanDerWaalsContact O-CA 3.29Å; V228-K232 WeakPolarHBondContact O-CA 3.29Å; V228-K232 PolarHBondContact O-N 3.44Å; V228-T233 HydrophobicContact CG2-CG2 4Å; V228-L236 HydrophobicContact CG2-CD2 4.46Å; V228-L252 HydrophobicContact CB-CD2 4.38Å; V228-L252 HydrophobicContact CG1-CD2 3.88Å; V228-L252 HydrophobicContact CG2-CD1 4.43Å; V228-L252 HydrophobicContact CG2-CD2 3.83Å; V228-M257 HydrophobicContact CG2-CE 3.91Å |
| 229 | D | 98.8 | Very high | 98.8 | Very high | 53 Ų | 53 | 30 Ų | 30 | 28% | 0.283 | 16% | 0.155 | S | C | . | . | I | π-helix | trans | -86.5 | -27.5 | -169.6 | -66.9 | -31.7 | 0 | 0 | 0 | 113 | K225 K232 R251 | K225-D229 WeakPolarHBondContact O-CA 3.39Å; K225-D229 VanDerWaalsContact O-CB 3.24Å; K225-D229 WeakPolarHBondContact O-CB 3.18Å; K225-D229 PolarHBondContact O-N 2.97Å; D229-K232 WeakPolarHBondContact O-CE 3.43Å; D229-K232 PolarHBondContact O-NZ 3.45Å; D229-R251 VanDerWaalsContact CG-NH1 3.35Å; D229-R251 IonicContact OD1-CZ 3.1Å; D229-R251 IonicContact OD1-NH1 3.98Å; D229-R251 PolarHBondContact OD1-NH1 3.21Å; D229-R251 IonicContact OD1-NH2 3.38Å; D229-R251 PolarHBondContact OD1-NH2 3.2Å; D229-R251 IonicContact OD2-NH1 3.47Å; D229-R251 PolarHBondContact OD2-NH1 3.16Å |
| 230 | I | 98.8 | Very high | 98.8 | Very high | 77 Ų | 77 | 30.1 Ų | 30.1 | 40% | 0.395 | 15% | 0.152 | S | C | . | . | I | π-helix | trans | -104 | -54.7 | -179.4 | -50.1 | -58.2 | 0 | 0 | 0 | 110.7 | L193 V198 E226 K232 | L193-I230 HydrophobicContact CD2-CB 4.21Å; L193-I230 HydrophobicContact CD2-CG1 3.95Å; L193-I230 HydrophobicContact CD2-CG2 3.98Å; V198-I230 HydrophobicContact CG1-CG2 4.19Å; V198-I230 HydrophobicContact CG2-CG2 4.08Å; E226-I230 WeakPolarHBondContact O-CA 3.41Å; E226-I230 VanDerWaalsContact O-CB 3.23Å; E226-I230 WeakPolarHBondContact O-CB 3.41Å; E226-I230 PolarHBondContact O-N 2.69Å; I230-K232 VanDerWaalsContact C-N 3.26Å; I230-K232 PolarHBondContact O-N 3.12Å |
| 231 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -79.2 | -9.6 | -178.7 | -55.2 | -178 | 0 | 0 | 0 | 113 | L182 V198 Y201 V213 E226 A227 T233 | L182-L231 HydrophobicContact CD2-CD1 3.78Å; V198-L231 HydrophobicContact CG2-CD2 4.12Å; Y201-L231 HydrophobicContact CD1-CB 3.79Å; Y201-L231 WeakPolarHBondContact CD1-O 3.37Å; Y201-L231 HydrophobicContact CD2-CD2 4.11Å; Y201-L231 HydrophobicContact CE1-CB 4.28Å; Y201-L231 HydrophobicContact CG-CB 3.92Å; Y201-L231 HydrophobicContact CG-CD2 4.03Å; Y201-L231 HydrophobicContact CG-CG 4.43Å; V213-L231 HydrophobicContact CG1-CD1 4.29Å; V213-L231 HydrophobicContact CG2-CB 4.27Å; V213-L231 HydrophobicContact CG2-CD1 3.99Å; E226-L231 PolarHBondContact O-N 3.36Å; A227-L231 CarbonylContact O-C 3.43Å; A227-L231 WeakPolarHBondContact O-CB 3.49Å; L231-T233 PolarHBondContact O-N 3.05Å |
| 232 | K | 98.9 | Very high | 98.9 | Very high | 109 Ų | 109 | 29.1 Ų | 29.1 | 47% | 0.474 | 14% | 0.14 | S | C | . | . | trans | 56.6 | 38.6 | 176.5 | -53.6 | -52.2 | -170 | -176 | 0 | 112.6 | V205 R211 A227 V228 D229 I230 | V205-K232 HydrophobicContact CG2-CB 3.75Å; V205-K232 HydrophobicContact CG2-CG 4.16Å; R211-K232 PolarHBondContact NE-O 3.17Å; A227-K232 PolarHBondContact O-N 3.49Å; A227-K232 VanDerWaalsContact O-N 3.09Å; V228-K232 VanDerWaalsContact O-CA 3.29Å; V228-K232 WeakPolarHBondContact O-CA 3.29Å; V228-K232 PolarHBondContact O-N 3.44Å; D229-K232 WeakPolarHBondContact O-CE 3.43Å; D229-K232 PolarHBondContact O-NZ 3.45Å; I230-K232 VanDerWaalsContact C-N 3.26Å; I230-K232 PolarHBondContact O-N 3.12Å | ||
| 233 | T | 98.9 | Very high | 98.9 | Very high | 9 Ų | 9 | 26.4 Ų | 26.4 | 6% | 0.055 | 13% | 0.128 | C | C | . | . | trans | -60.6 | 147.5 | -179.9 | -158.8 | 0 | 0 | 0 | 0 | 112.1 | R211 T212 V213 A227 V228 L231 R235 L236 M257 | R211-T233 PolarHBondContact O-OG1 3.25Å; T212-T233 VanDerWaalsContact CA-OG1 3.29Å; T212-T233 WeakPolarHBondContact CA-OG1 3.42Å; V213-T233 PolarHBondContact N-OG1 3.24Å; A227-T233 HydrophobicContact CB-CG2 4.14Å; A227-T233 WeakPolarHBondContact O-CB 3.41Å; A227-T233 PolarHBondContact O-N 3.22Å; V228-T233 HydrophobicContact CG2-CG2 4Å; L231-T233 PolarHBondContact O-N 3.05Å; T233-R235 WeakPolarHBondContact CG2-O 3.44Å; T233-R235 PolarHBondContact OG1-O 2.7Å; T233-L236 HydrophobicContact CG2-CD2 3.99Å; T233-L236 HydrophobicContact CG2-CG 4.36Å; T233-M257 HydrophobicContact CG2-CE 4.27Å | ||
| 234 | E | 98.9 | Very high | 98.8 | Very high | 70 Ų | 70 | 31.7 Ų | 31.7 | 33% | 0.327 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -99.3 | -21.3 | 176.4 | -63.9 | 167.2 | 120.9 | 0 | 0 | 111.7 | H210 R211 F334 | H210-E234 WeakPolarHBondContact CA-OE2 3.47Å; H210-E234 WeakPolarHBondContact CB-OE2 3.14Å; H210-E234 IonicContact CE1-OE1 2.69Å; H210-E234 IonicContact CG-OE2 2.82Å; H210-E234 IonicContact ND1-OE1 3.56Å; H210-E234 PolarHBondContact ND1-OE1 3.32Å; H210-E234 IonicContact ND1-OE2 3.76Å; H210-E234 PolarHBondContact ND1-OE2 3.16Å; R211-E234 IonicContact CZ-OE1 2.83Å; R211-E234 IonicContact CZ-OE2 3.36Å; R211-E234 PolarHBondContact N-OE2 2.85Å; R211-E234 IonicContact NH1-OE2 3.63Å; R211-E234 PolarHBondContact NH1-OE2 2.71Å; R211-E234 IonicContact NH2-OE1 3.67Å; R211-E234 PolarHBondContact NH2-OE1 3.32Å; R211-E234 IonicContact NH2-OE2 3.58Å; R211-E234 PolarHBondContact NH2-OE2 3.04Å; R211-E234 WeakPolarHBondContact O-CB 3.42Å; R211-E234 PolarHBondContact O-N 3.14Å; E234-F334 HydrophobicContact CB-CE1 4.06Å; E234-F334 HydrophobicContact CB-CZ 4.43Å |
| 235 | R | 98.9 | Very high | 98.8 | Very high | 3 Ų | 3 | 33.6 Ų | 33.6 | 1% | 0.011 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 155.3 | 175.9 | -48.2 | -167.1 | -49.6 | -146.3 | 0.1 | 110.4 | E99 R211 T212 V213 T233 H258 E260 S332 F334 | E99-R235 IonicContact OE1-NH1 3.23Å; E99-R235 PolarHBondContact OE1-NH1 3.17Å; E99-R235 IonicContact OE2-CZ 3.51Å; E99-R235 IonicContact OE2-NH1 3.81Å; E99-R235 PolarHBondContact OE2-NH1 2.81Å; E99-R235 IonicContact OE2-NH2 2.9Å; E99-R235 PolarHBondContact OE2-NH2 3.49Å; R211-R235 PolarHBondContact O-N 3.32Å; T212-R235 PolarHBondContact OG1-O 3.39Å; V213-R235 PolarHBondContact N-O 2.91Å; T233-R235 WeakPolarHBondContact CG2-O 3.44Å; T233-R235 PolarHBondContact OG1-O 2.7Å; R235-H258 WeakPolarHBondContact CA-O 3.45Å; R235-H258 HydrophobicContact CB-CB 4.26Å; R235-H258 HydrophobicContact CG-CB 3.92Å; R235-E260 HydrophobicContact CB-CG 4.37Å; R235-E260 IonicContact CZ-OE1 3.5Å; R235-E260 IonicContact NE-OE1 3.83Å; R235-E260 PolarHBondContact NE-OE1 3.17Å; R235-E260 IonicContact NH2-OE1 2.88Å; R235-E260 PolarHBondContact NH2-OE1 2.9Å; R235-S332 VanDerWaalsContact CD-O 3.24Å; R235-S332 WeakPolarHBondContact CD-O 3.16Å; R235-S332 PolarHBondContact NH1-O 2.89Å; R235-F334 HydrophobicContact CB-CZ 4.42Å; R235-F334 HydrophobicContact CG-CE1 3.99Å; R235-F334 HydrophobicContact CG-CZ 3.69Å; R235-F334 VanDerWaalsContact CZ-CD2 3.49Å |
| 236 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 118.3 | 174 | -72.9 | 164.6 | 0 | 0 | 0 | 109.3 | A215 V224 A227 V228 T233 H238 L252 M257 H258 F259 E260 | A215-L236 HydrophobicContact CB-CD2 4Å; V224-L236 HydrophobicContact CG1-CD1 3.62Å; V224-L236 HydrophobicContact CG1-CD2 4.02Å; A227-L236 HydrophobicContact CB-CD2 4.07Å; V228-L236 HydrophobicContact CG2-CD2 4.46Å; T233-L236 HydrophobicContact CG2-CD2 3.99Å; T233-L236 HydrophobicContact CG2-CG 4.36Å; L236-H238 PolarHBondContact O-N 3.05Å; L236-L252 HydrophobicContact CD1-CD1 3.92Å; L236-M257 HydrophobicContact CD1-CG 3.81Å; L236-M257 HydrophobicContact CD1-SD 4.16Å; L236-M257 HydrophobicContact CG-CG 4.26Å; L236-M257 HydrophobicContact CG-SD 3.98Å; L236-H258 PolarHBondContact N-O 2.82Å; L236-F259 HydrophobicContact CB-CD1 4.31Å; L236-F259 HydrophobicContact CD1-CD1 4.1Å; L236-F259 HydrophobicContact CD1-CE1 3.66Å; L236-F259 HydrophobicContact CD1-CZ 4.35Å; L236-E260 WeakPolarHBondContact O-CB 3.49Å; L236-E260 PolarHBondContact O-N 3.11Å |
| 237 | G | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 118 | 159.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | V213 A215 G239 E260 | V213-G237 PolarHBondContact O-N 3.42Å; A215-G237 PolarHBondContact N-O 2.93Å; A215-G237 VanDerWaalsContact N-O 3.15Å; G237-G239 PolarHBondContact O-N 3.03Å; G237-E260 WeakPolarHBondContact CA-OE2 3.11Å |
| 238 | H | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 67.3 | -89.4 | -174.1 | -43 | -70.1 | 0 | 0 | 0 | 114.2 | H15 H214 E217 L236 Y240 E260 I261 D295 | H15-H238 AromaticContact CE1-NE2 3.81Å; H15-H238 AromaticContact NE2-CE1 3.8Å; H15-H238 AromaticContact NE2-NE2 3.72Å; H214-H238 AromaticContact CD2-CD2 3.55Å; H214-H238 AromaticContact CD2-NE2 3.16Å; H214-H238 PolarHBondContact CD2-NE2 3.02Å; H214-H238 AromaticContact NE2-NE2 3.64Å; E217-H238 HydrophobicContact CB-CB 3.8Å; E217-H238 VanDerWaalsContact CB-CD2 3.45Å; E217-H238 WeakPolarHBondContact CB-CD2 3.4Å; E217-H238 HydrophobicContact CG-CB 4.01Å; E217-H238 VanDerWaalsContact CG-CD2 3.49Å; E217-H238 WeakPolarHBondContact CG-CD2 3.31Å; E217-H238 IonicContact OE2-CD2 2.68Å; E217-H238 IonicContact OE2-NE2 3.79Å; L236-H238 PolarHBondContact O-N 3.05Å; H238-Y240 HydrophobicContact CB-CD2 3.99Å; H238-Y240 HydrophobicContact CB-CE1 4.18Å; H238-Y240 HydrophobicContact CB-CE2 3.57Å; H238-Y240 HydrophobicContact CB-CG 4.47Å; H238-Y240 AromaticContact CG-CE2 4Å; H238-Y240 AromaticContact ND1-CE2 3.92Å; H238-Y240 AromaticContact ND1-CZ 3.78Å; H238-Y240 PolarHBondContact ND1-OH 2.98Å; H238-Y240 PolarHBondContact O-N 2.87Å; H238-E260 WeakPolarHBondContact CA-O 3.45Å; H238-E260 PolarHBondContact N-O 3.46Å; H238-I261 VanDerWaalsContact O-CD1 3.29Å; H238-I261 WeakPolarHBondContact O-CD1 3.4Å; H238-D295 IonicContact CE1-OD2 3.07Å; H238-D295 PolarHBondContact CE1-OD2 3.24Å |
| 239 | G | 98.7 | Very high | 98.8 | Very high | 3 Ų | 3 | 36.1 Ų | 36.1 | 3% | 0.031 | 19% | 0.186 | C | C | . | . | trans | 73.9 | 14.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 116 | A215 G216 G237 H241 T242 | A215-G239 WeakPolarHBondContact O-CA 3.35Å; A215-G239 PolarHBondContact O-N 3.44Å; G216-G239 CarbonylContact O-C 3.52Å; G237-G239 PolarHBondContact O-N 3.03Å; G239-H241 PolarHBondContact O-N 2.95Å; G239-T242 WeakPolarHBondContact O-CB 3.46Å; G239-T242 PolarHBondContact O-N 2.83Å; G239-T242 VanDerWaalsContact O-N 3.09Å; G239-T242 PolarHBondContact O-OG1 2.7Å | ||
| 240 | Y | 98.8 | Very high | 98.8 | Very high | 14 Ų | 14 | 36.6 Ų | 36.6 | 6% | 0.055 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -56 | -45.9 | -176.1 | -46.1 | -48.3 | 0 | 0 | 0 | 113.1 | G216 E217 H238 T242 L243 I261 C262 A271 H278 A279 | G216-Y240 PolarHBondContact O-N 3.32Å; E217-Y240 HydrophobicContact CG-CE2 4.24Å; H238-Y240 HydrophobicContact CB-CD2 3.99Å; H238-Y240 HydrophobicContact CB-CE1 4.18Å; H238-Y240 HydrophobicContact CB-CE2 3.57Å; H238-Y240 HydrophobicContact CB-CG 4.47Å; H238-Y240 AromaticContact CG-CE2 4Å; H238-Y240 AromaticContact ND1-CE2 3.92Å; H238-Y240 AromaticContact ND1-CZ 3.78Å; H238-Y240 PolarHBondContact ND1-OH 2.98Å; H238-Y240 PolarHBondContact O-N 2.87Å; Y240-T242 PolarHBondContact O-N 3.38Å; Y240-T242 VanDerWaalsContact O-N 3.14Å; Y240-L243 PolarHBondContact O-N 3.39Å; Y240-I261 HydrophobicContact CD1-CD1 3.87Å; Y240-I261 HydrophobicContact CE1-CB 4.49Å; Y240-I261 HydrophobicContact CE1-CD1 3.64Å; Y240-I261 HydrophobicContact CE1-CG2 3.95Å; Y240-C262 WeakPolarHBondContact OH-CA 3.37Å; Y240-C262 PolarHBondContact OH-N 2.95Å; Y240-C262 PolarHBondContact OH-O 3.37Å; Y240-C262 VanDerWaalsContact OH-O 3.08Å; Y240-A271 HydrophobicContact CD2-CB 4.08Å; Y240-A271 HydrophobicContact CE2-CB 4.08Å; Y240-H278 AromaticContact CE1-CE1 3.88Å; Y240-A279 HydrophobicContact CD1-CB 4.21Å |
| 241 | H | 98.8 | Very high | 98.8 | Very high | 41 Ų | 41 | 37 Ų | 37 | 19% | 0.19 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -73.7 | 0.2 | -177.7 | -66.2 | 77.8 | 0 | 0 | 0 | 113.3 | G216 E217 G219 G239 L243 E244 A271 | G216-H241 PolarHBondContact O-N 3.41Å; G216-H241 PolarHBondContact O-ND1 3.03Å; E217-H241 PolarHBondContact O-CE1 3.41Å; E217-H241 PolarHBondContact O-ND1 2.81Å; G219-H241 WeakPolarHBondContact O-CB 3.28Å; G219-H241 VanDerWaalsContact O-CG 3.31Å; G239-H241 PolarHBondContact O-N 2.95Å; H241-L243 PolarHBondContact O-N 3.33Å; H241-E244 HydrophobicContact CB-CG 4.34Å; H241-E244 IonicContact CD2-OE1 3.27Å; H241-E244 PolarHBondContact CD2-OE1 3.46Å; H241-E244 VanDerWaalsContact CD2-OE1 3.27Å; H241-E244 IonicContact CD2-OE2 3.76Å; H241-E244 WeakPolarHBondContact O-CB 3.37Å; H241-E244 WeakPolarHBondContact O-CG 3.38Å; H241-E244 PolarHBondContact O-N 3.22Å; H241-A271 PolarHBondContact CE1-O 2.92Å |
| 242 | T | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.006 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -56.7 | -34.9 | 166.8 | -59 | 0 | 0 | 0 | 0 | 111.1 | G239 Y240 E244 D245 L248 Y249 L252 F259 | G239-T242 WeakPolarHBondContact O-CB 3.46Å; G239-T242 PolarHBondContact O-N 2.83Å; G239-T242 VanDerWaalsContact O-N 3.09Å; G239-T242 PolarHBondContact O-OG1 2.7Å; Y240-T242 PolarHBondContact O-N 3.38Å; Y240-T242 VanDerWaalsContact O-N 3.14Å; T242-E244 PolarHBondContact O-N 3.29Å; T242-D245 PolarHBondContact O-N 3.08Å; T242-L248 HydrophobicContact CG2-CD2 4.31Å; T242-L248 HydrophobicContact CG2-CG 4.25Å; T242-Y249 HydrophobicContact CG2-CD2 4.26Å; T242-L252 HydrophobicContact CG2-CD1 3.77Å; T242-F259 HydrophobicContact CG2-CE1 4.09Å; T242-F259 HydrophobicContact CG2-CZ 4.2Å |
| 243 | L | 98.6 | Very high | 98.8 | Very high | 47 Ų | 47 | 36.3 Ų | 36.3 | 25% | 0.246 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -68.4 | -10.6 | -178.2 | -62.7 | -174.2 | 0 | 0 | 0 | 114 | Y240 H241 D245 Y249 A279 R282 | Y240-L243 PolarHBondContact O-N 3.39Å; H241-L243 PolarHBondContact O-N 3.33Å; L243-D245 VanDerWaalsContact C-N 3.27Å; L243-Y249 HydrophobicContact CD2-CD1 3.9Å; L243-Y249 HydrophobicContact CD2-CD2 3.47Å; L243-Y249 VanDerWaalsContact CD2-CD2 3.47Å; L243-Y249 HydrophobicContact CD2-CE1 4Å; L243-Y249 HydrophobicContact CD2-CE2 3.59Å; L243-Y249 HydrophobicContact CD2-CG 3.61Å; L243-A279 HydrophobicContact CD1-CB 3.54Å; L243-A279 HydrophobicContact CG-CB 4.4Å; L243-R282 HydrophobicContact CD1-CB 3.84Å; L243-R282 HydrophobicContact CD1-CG 4.1Å; L243-R282 HydrophobicContact CD2-CG 4.08Å |
| 244 | E | 98.6 | Very high | 98.8 | Very high | 130 Ų | 130 | 43.8 Ų | 43.8 | 61% | 0.607 | 21% | 0.214 | S | C | * | . | G | 310 helix | trans | -72.1 | -23.8 | 173.8 | -58.7 | -174.2 | 141.4 | 0 | 0 | 112.3 | H241 T242 | H241-E244 HydrophobicContact CB-CG 4.34Å; H241-E244 IonicContact CD2-OE1 3.27Å; H241-E244 PolarHBondContact CD2-OE1 3.46Å; H241-E244 VanDerWaalsContact CD2-OE1 3.27Å; H241-E244 IonicContact CD2-OE2 3.76Å; H241-E244 WeakPolarHBondContact O-CB 3.37Å; H241-E244 WeakPolarHBondContact O-CG 3.38Å; H241-E244 PolarHBondContact O-N 3.22Å; T242-E244 PolarHBondContact O-N 3.29Å |
| 245 | D | 98.8 | Very high | 98.8 | Very high | 41 Ų | 41 | 45.3 Ų | 45.3 | 22% | 0.219 | 22% | 0.222 | C | C | . | . | trans | -116.9 | 98.1 | 174.6 | -175 | -25.1 | 0 | 0 | 0 | 109.5 | A221 K225 T242 L243 A247 L248 Y249 | A221-D245 HydrophobicContact CB-CB 3.79Å; K225-D245 WeakPolarHBondContact CE-OD2 3.27Å; K225-D245 IonicContact NZ-OD2 3.05Å; K225-D245 PolarHBondContact NZ-OD2 2.73Å; T242-D245 PolarHBondContact O-N 3.08Å; L243-D245 VanDerWaalsContact C-N 3.27Å; D245-A247 PolarHBondContact O-N 3.2Å; D245-A247 WeakPolarHBondContact OD1-CB 3.46Å; D245-A247 PolarHBondContact OD1-N 3.43Å; D245-L248 HydrophobicContact CB-CB 3.83Å; D245-L248 WeakPolarHBondContact O-CB 3.28Å; D245-L248 PolarHBondContact O-N 2.89Å; D245-L248 PolarHBondContact OD1-N 3.31Å; D245-Y249 PolarHBondContact O-N 3.1Å | ||
| 246 | Q | 98.6 | Very high | 98.8 | Very high | 80 Ų | 80 | 50.3 Ų | 50.3 | 37% | 0.374 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60.2 | -33 | -177.6 | -176.5 | 59.7 | 56.7 | 0 | 0 | 112.5 | D250 R282 | Q246-D250 PolarHBondContact NE2-OD1 3.18Å; Q246-D250 PolarHBondContact NE2-OD2 3.17Å; Q246-D250 WeakPolarHBondContact O-CB 3.44Å; Q246-D250 VanDerWaalsContact O-CG 3.23Å; Q246-D250 PolarHBondContact O-N 3.41Å; Q246-R282 VanDerWaalsContact OE1-NH2 3.11Å |
| 247 | A | 98.8 | Very high | 98.8 | Very high | 73 Ų | 73 | 51 Ų | 51 | 60% | 0.603 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -71.5 | -39.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | D245 R251 | D245-A247 PolarHBondContact O-N 3.2Å; D245-A247 WeakPolarHBondContact OD1-CB 3.46Å; D245-A247 PolarHBondContact OD1-N 3.43Å; A247-R251 WeakPolarHBondContact O-CB 3.36Å; A247-R251 PolarHBondContact O-N 3.24Å |
| 248 | L | 98.8 | Very high | 98.8 | Very high | 7 Ų | 7 | 51 Ų | 51 | 4% | 0.037 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.5 | -50 | 171.9 | 178.4 | 63.1 | 0 | 0 | 0 | 110.8 | A221 V224 K225 T242 D245 D250 R251 L252 | A221-L248 HydrophobicContact CB-CD2 3.98Å; A221-L248 WeakPolarHBondContact O-CD2 3.48Å; V224-L248 HydrophobicContact CB-CD2 4.03Å; V224-L248 HydrophobicContact CG1-CD2 3.92Å; K225-L248 HydrophobicContact CG-CD1 3.86Å; K225-L248 HydrophobicContact CG-CD2 3.86Å; K225-L248 HydrophobicContact CG-CG 4.43Å; T242-L248 HydrophobicContact CG2-CD2 4.31Å; T242-L248 HydrophobicContact CG2-CG 4.25Å; D245-L248 HydrophobicContact CB-CB 3.83Å; D245-L248 WeakPolarHBondContact O-CB 3.28Å; D245-L248 PolarHBondContact O-N 2.89Å; D245-L248 PolarHBondContact OD1-N 3.31Å; L248-D250 VanDerWaalsContact C-N 3.35Å; L248-D250 PolarHBondContact O-N 3.41Å; L248-R251 WeakPolarHBondContact O-CB 3.41Å; L248-R251 PolarHBondContact O-N 3.49Å; L248-L252 HydrophobicContact CD1-CD1 4.03Å; L248-L252 HydrophobicContact CD1-CD2 4.4Å; L248-L252 HydrophobicContact CD1-CG 4.02Å; L248-L252 HydrophobicContact CG-CD1 4.03Å; L248-L252 HydrophobicContact CG-CG 4.33Å; L248-L252 WeakPolarHBondContact O-CG 3.48Å; L248-L252 PolarHBondContact O-N 3Å |
| 249 | Y | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.5 | -46.2 | 179.3 | 174 | -119.4 | 0 | 0 | 0 | 112.6 | T242 L243 D245 R251 L252 R253 R282 L283 D286 | T242-Y249 HydrophobicContact CG2-CD2 4.26Å; L243-Y249 HydrophobicContact CD2-CD1 3.9Å; L243-Y249 HydrophobicContact CD2-CD2 3.47Å; L243-Y249 VanDerWaalsContact CD2-CD2 3.47Å; L243-Y249 HydrophobicContact CD2-CE1 4Å; L243-Y249 HydrophobicContact CD2-CE2 3.59Å; L243-Y249 HydrophobicContact CD2-CG 3.61Å; D245-Y249 PolarHBondContact O-N 3.1Å; Y249-R251 VanDerWaalsContact C-N 3.34Å; Y249-R251 PolarHBondContact O-N 3.36Å; Y249-L252 PolarHBondContact O-N 3.11Å; Y249-R253 HydrophobicContact CD2-CG 4.22Å; Y249-R253 HydrophobicContact CE1-CG 4.44Å; Y249-R253 HydrophobicContact CE2-CG 3.74Å; Y249-R253 PolarHBondContact O-N 3.15Å; Y249-R253 WeakPolarHBondContact OH-CD 3.31Å; Y249-R282 HydrophobicContact CE1-CG 4.33Å; Y249-L283 HydrophobicContact CE2-CD2 3.59Å; Y249-D286 WeakPolarHBondContact CE1-OD2 3.25Å; Y249-D286 VanDerWaalsContact CZ-OD2 3.3Å; Y249-D286 VanDerWaalsContact OH-CB 3.29Å; Y249-D286 WeakPolarHBondContact OH-CB 3.29Å; Y249-D286 VanDerWaalsContact OH-CG 3.32Å; Y249-D286 PolarHBondContact OH-OD2 3Å |
| 250 | D | 98.8 | Very high | 98.8 | Very high | 64 Ų | 64 | 51 Ų | 51 | 34% | 0.342 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.6 | -40.3 | 178.8 | -72.6 | -28.3 | 0 | 0 | 0 | 111.9 | Q246 L248 R253 Q254 | Q246-D250 PolarHBondContact NE2-OD1 3.18Å; Q246-D250 PolarHBondContact NE2-OD2 3.17Å; Q246-D250 WeakPolarHBondContact O-CB 3.44Å; Q246-D250 VanDerWaalsContact O-CG 3.23Å; Q246-D250 PolarHBondContact O-N 3.41Å; L248-D250 VanDerWaalsContact C-N 3.35Å; L248-D250 PolarHBondContact O-N 3.41Å; D250-R253 PolarHBondContact O-N 2.99Å; D250-Q254 VanDerWaalsContact O-CG 3.27Å; D250-Q254 WeakPolarHBondContact O-CG 3.47Å; D250-Q254 PolarHBondContact O-N 3.19Å; D250-Q254 VanDerWaalsContact O-N 3.1Å |
| 251 | R | 98.8 | Very high | 98.8 | Very high | 85 Ų | 85 | 50.4 Ų | 50.4 | 32% | 0.321 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -59.9 | -51.5 | 173 | 175.7 | -173 | 165.5 | -158.1 | -10.2 | 111.2 | D229 A247 L248 Y249 R253 Q254 E255 | D229-R251 VanDerWaalsContact CG-NH1 3.35Å; D229-R251 IonicContact OD1-CZ 3.1Å; D229-R251 IonicContact OD1-NH1 3.98Å; D229-R251 PolarHBondContact OD1-NH1 3.21Å; D229-R251 IonicContact OD1-NH2 3.38Å; D229-R251 PolarHBondContact OD1-NH2 3.2Å; D229-R251 IonicContact OD2-NH1 3.47Å; D229-R251 PolarHBondContact OD2-NH1 3.16Å; A247-R251 WeakPolarHBondContact O-CB 3.36Å; A247-R251 PolarHBondContact O-N 3.24Å; L248-R251 WeakPolarHBondContact O-CB 3.41Å; L248-R251 PolarHBondContact O-N 3.49Å; Y249-R251 VanDerWaalsContact C-N 3.34Å; Y249-R251 PolarHBondContact O-N 3.36Å; R251-R253 VanDerWaalsContact C-N 3.27Å; R251-R253 PolarHBondContact O-N 3.45Å; R251-Q254 WeakPolarHBondContact O-CB 3.47Å; R251-Q254 PolarHBondContact O-N 3.07Å; R251-E255 WeakPolarHBondContact CG-OE1 3.37Å; R251-E255 IonicContact CZ-OE1 3.22Å; R251-E255 IonicContact NE-OE1 2.83Å; R251-E255 PolarHBondContact NE-OE1 3.07Å; R251-E255 IonicContact NE-OE2 3.7Å; R251-E255 IonicContact NH2-OE1 3.06Å; R251-E255 IonicContact NH2-OE2 2.73Å; R251-E255 WeakPolarHBondContact O-CG 3.5Å; R251-E255 PolarHBondContact O-N 2.94Å |
| 252 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64 | -33.4 | -177.4 | -66.8 | -175 | 0 | 0 | 0 | 112.3 | V224 V228 L236 T242 L248 Y249 E255 N256 M257 F259 | V224-L252 HydrophobicContact CG1-CD1 3.87Å; V228-L252 HydrophobicContact CB-CD2 4.38Å; V228-L252 HydrophobicContact CG1-CD2 3.88Å; V228-L252 HydrophobicContact CG2-CD1 4.43Å; V228-L252 HydrophobicContact CG2-CD2 3.83Å; L236-L252 HydrophobicContact CD1-CD1 3.92Å; T242-L252 HydrophobicContact CG2-CD1 3.77Å; L248-L252 HydrophobicContact CD1-CD1 4.03Å; L248-L252 HydrophobicContact CD1-CD2 4.4Å; L248-L252 HydrophobicContact CD1-CG 4.02Å; L248-L252 HydrophobicContact CG-CD1 4.03Å; L248-L252 HydrophobicContact CG-CG 4.33Å; L248-L252 WeakPolarHBondContact O-CG 3.48Å; L248-L252 PolarHBondContact O-N 3Å; Y249-L252 PolarHBondContact O-N 3.11Å; L252-E255 CarbonylContact O-C 3.47Å; L252-E255 PolarHBondContact O-N 3.3Å; L252-N256 PolarHBondContact O-N 3.32Å; L252-N256 VanDerWaalsContact O-N 3.14Å; L252-M257 HydrophobicContact CB-CB 3.83Å; L252-M257 HydrophobicContact CB-CG 4.31Å; L252-M257 HydrophobicContact CD1-CG 4.44Å; L252-M257 HydrophobicContact CD2-CB 4.38Å; L252-M257 HydrophobicContact CD2-CE 4.26Å; L252-M257 HydrophobicContact CD2-CG 4.49Å; L252-M257 VanDerWaalsContact O-CB 3.29Å; L252-M257 WeakPolarHBondContact O-CB 3.31Å; L252-M257 PolarHBondContact O-N 3.44Å; L252-F259 HydrophobicContact CB-CZ 4.27Å; L252-F259 HydrophobicContact CD1-CZ 4.27Å |
| 253 | R | 98.6 | Very high | 98.8 | Very high | 95 Ų | 95 | 48.4 Ų | 48.4 | 36% | 0.358 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.8 | -43.1 | 170.4 | -82.4 | -167 | 58.8 | -172.8 | 0.2 | 113.1 | Y249 D250 R251 E255 N256 D286 | Y249-R253 HydrophobicContact CD2-CG 4.22Å; Y249-R253 HydrophobicContact CE1-CG 4.44Å; Y249-R253 HydrophobicContact CE2-CG 3.74Å; Y249-R253 PolarHBondContact O-N 3.15Å; Y249-R253 WeakPolarHBondContact OH-CD 3.31Å; D250-R253 PolarHBondContact O-N 2.99Å; R251-R253 VanDerWaalsContact C-N 3.27Å; R251-R253 PolarHBondContact O-N 3.45Å; R253-E255 VanDerWaalsContact C-N 3.26Å; R253-E255 PolarHBondContact O-N 3.5Å; R253-N256 PolarHBondContact O-N 3.06Å; R253-N256 VanDerWaalsContact O-N 3.09Å; R253-D286 IonicContact CZ-OD2 3.77Å; R253-D286 IonicContact NH1-OD1 3.19Å; R253-D286 IonicContact NH1-OD2 2.99Å; R253-D286 PolarHBondContact NH1-OD2 2.75Å; R253-D286 PolarHBondContact NH2-O 3.39Å |
| 254 | Q | 98.6 | Very high | 98.8 | Very high | 165 Ų | 165 | 49 Ų | 49 | 77% | 0.771 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -64.3 | -35.2 | 177.3 | -70.1 | 166.8 | 18.3 | 0 | 0 | 111.6 | D250 R251 N256 | D250-Q254 VanDerWaalsContact O-CG 3.27Å; D250-Q254 WeakPolarHBondContact O-CG 3.47Å; D250-Q254 PolarHBondContact O-N 3.19Å; D250-Q254 VanDerWaalsContact O-N 3.1Å; R251-Q254 WeakPolarHBondContact O-CB 3.47Å; R251-Q254 PolarHBondContact O-N 3.07Å; Q254-N256 PolarHBondContact O-N 2.79Å |
| 255 | E | 98.6 | Very high | 98.8 | Very high | 103 Ų | 103 | 42.8 Ų | 42.8 | 48% | 0.481 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | 1 | 175.1 | -65.8 | 173.1 | -170.8 | 0 | 0 | 113 | R251 L252 R253 M257 | R251-E255 WeakPolarHBondContact CG-OE1 3.37Å; R251-E255 IonicContact CZ-OE1 3.22Å; R251-E255 IonicContact NE-OE1 2.83Å; R251-E255 PolarHBondContact NE-OE1 3.07Å; R251-E255 IonicContact NE-OE2 3.7Å; R251-E255 IonicContact NH2-OE1 3.06Å; R251-E255 IonicContact NH2-OE2 2.73Å; R251-E255 WeakPolarHBondContact O-CG 3.5Å; R251-E255 PolarHBondContact O-N 2.94Å; L252-E255 CarbonylContact O-C 3.47Å; L252-E255 PolarHBondContact O-N 3.3Å; R253-E255 VanDerWaalsContact C-N 3.26Å; R253-E255 PolarHBondContact O-N 3.5Å; E255-M257 PolarHBondContact O-N 3.15Å |
| 256 | N | 98.6 | Very high | 98.8 | Very high | 107 Ų | 107 | 40.8 Ų | 40.8 | 57% | 0.572 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.6 | 33.1 | -178.2 | -168.2 | 52.7 | 0 | 0 | 0 | 114.1 | L252 R253 Q254 H258 N289 | L252-N256 PolarHBondContact O-N 3.32Å; L252-N256 VanDerWaalsContact O-N 3.14Å; R253-N256 PolarHBondContact O-N 3.06Å; R253-N256 VanDerWaalsContact O-N 3.09Å; Q254-N256 PolarHBondContact O-N 2.79Å; N256-H258 PolarHBondContact O-N 3.06Å; N256-N289 PolarHBondContact O-ND2 3.21Å; N256-N289 WeakPolarHBondContact OD1-CB 3.32Å |
| 257 | M | 98.9 | Very high | 98.8 | Very high | 14 Ų | 14 | 39.7 Ų | 39.7 | 7% | 0.069 | 19% | 0.191 | C | C | . | . | P | Polyproline II helix | trans | -51 | 131.9 | 175.2 | 177.5 | 55.4 | 64.9 | 0 | 0 | 111 | V228 T233 L236 L252 E255 F259 | V228-M257 HydrophobicContact CG2-CE 3.91Å; T233-M257 HydrophobicContact CG2-CE 4.27Å; L236-M257 HydrophobicContact CD1-CG 3.81Å; L236-M257 HydrophobicContact CD1-SD 4.16Å; L236-M257 HydrophobicContact CG-CG 4.26Å; L236-M257 HydrophobicContact CG-SD 3.98Å; L252-M257 HydrophobicContact CB-CB 3.83Å; L252-M257 HydrophobicContact CB-CG 4.31Å; L252-M257 HydrophobicContact CD1-CG 4.44Å; L252-M257 HydrophobicContact CD2-CB 4.38Å; L252-M257 HydrophobicContact CD2-CE 4.26Å; L252-M257 HydrophobicContact CD2-CG 4.49Å; L252-M257 VanDerWaalsContact O-CB 3.29Å; L252-M257 WeakPolarHBondContact O-CB 3.31Å; L252-M257 PolarHBondContact O-N 3.44Å; E255-M257 PolarHBondContact O-N 3.15Å; M257-F259 HydrophobicContact CB-CE2 4.3Å; M257-F259 HydrophobicContact CG-CE2 4.18Å; M257-F259 HydrophobicContact CG-CZ 4.15Å |
| 258 | H | 98.9 | Very high | 98.8 | Very high | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.009 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 126.7 | 175.8 | -170 | 84.9 | 0 | 0 | 0 | 111 | R235 L236 N256 N289 S291 S332 | R235-H258 WeakPolarHBondContact CA-O 3.45Å; R235-H258 HydrophobicContact CB-CB 4.26Å; R235-H258 HydrophobicContact CG-CB 3.92Å; L236-H258 PolarHBondContact N-O 2.82Å; N256-H258 PolarHBondContact O-N 3.06Å; H258-N289 WeakPolarHBondContact CA-O 3.43Å; H258-N289 PolarHBondContact ND1-OD1 3.4Å; H258-S291 PolarHBondContact CE1-N 3.08Å; H258-S291 WeakPolarHBondContact NE2-CB 3.31Å; H258-S291 PolarHBondContact NE2-N 3.48Å; H258-S291 PolarHBondContact NE2-OG 2.78Å; H258-S332 VanDerWaalsContact CG-CB 3.49Å; H258-S332 VanDerWaalsContact ND1-CB 3.29Å; H258-S332 WeakPolarHBondContact ND1-CB 3.29Å; H258-S332 PolarHBondContact ND1-OG 2.83Å |
| 259 | F | 98.9 | Very high | 98.8 | Very high | 3 Ų | 3 | 36 Ų | 36 | 1% | 0.013 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 120.1 | 173.8 | -60.5 | -93.6 | 0 | 0 | 0 | 110.5 | L236 T242 L252 M257 I261 L283 N289 Y290 S291 | L236-F259 HydrophobicContact CB-CD1 4.31Å; L236-F259 HydrophobicContact CD1-CD1 4.1Å; L236-F259 HydrophobicContact CD1-CE1 3.66Å; L236-F259 HydrophobicContact CD1-CZ 4.35Å; T242-F259 HydrophobicContact CG2-CE1 4.09Å; T242-F259 HydrophobicContact CG2-CZ 4.2Å; L252-F259 HydrophobicContact CB-CZ 4.27Å; L252-F259 HydrophobicContact CD1-CZ 4.27Å; M257-F259 HydrophobicContact CB-CE2 4.3Å; M257-F259 HydrophobicContact CG-CE2 4.18Å; M257-F259 HydrophobicContact CG-CZ 4.15Å; F259-I261 HydrophobicContact CB-CD1 3.87Å; F259-I261 HydrophobicContact CB-CG1 4.12Å; F259-I261 PolarHBondContact O-N 2.99Å; F259-L283 HydrophobicContact CB-CD1 3.98Å; F259-L283 HydrophobicContact CD2-CD1 4.38Å; F259-L283 HydrophobicContact CD2-CD2 4.25Å; F259-L283 HydrophobicContact CE2-CD2 4.38Å; F259-L283 HydrophobicContact CG-CD1 4.15Å; F259-N289 PolarHBondContact N-O 2.78Å; F259-Y290 CarbonylContact O-C 3.41Å; F259-Y290 WeakPolarHBondContact O-CA 3.49Å; F259-Y290 VanDerWaalsContact O-CB 3.22Å; F259-Y290 WeakPolarHBondContact O-CB 3.46Å; F259-S291 PolarHBondContact O-N 3.37Å |
| 260 | E | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 86.5 | 177.1 | -59.4 | 170.7 | 175.9 | 0 | 0 | 109.1 | H15 R101 T212 R235 L236 G237 H238 | H15-E260 HydrophobicContact CB-CB 3.82Å; H15-E260 HydrophobicContact CB-CG 4.42Å; H15-E260 IonicContact CE1-OE2 3.84Å; H15-E260 IonicContact CG-OE2 2.85Å; H15-E260 IonicContact ND1-OE2 3.16Å; H15-E260 PolarHBondContact ND1-OE2 3.26Å; R101-E260 IonicContact CZ-OE2 3.15Å; R101-E260 IonicContact NH1-OE2 3.37Å; R101-E260 PolarHBondContact NH1-OE2 2.88Å; R101-E260 IonicContact NH2-OE1 2.74Å; R101-E260 IonicContact NH2-OE2 2.69Å; R101-E260 PolarHBondContact NH2-OE2 3.41Å; T212-E260 PolarHBondContact OG1-OE1 2.92Å; T212-E260 PolarHBondContact OG1-OE2 3.41Å; R235-E260 HydrophobicContact CB-CG 4.37Å; R235-E260 IonicContact CZ-OE1 3.5Å; R235-E260 IonicContact NE-OE1 3.83Å; R235-E260 PolarHBondContact NE-OE1 3.17Å; R235-E260 IonicContact NH2-OE1 2.88Å; R235-E260 PolarHBondContact NH2-OE1 2.9Å; L236-E260 WeakPolarHBondContact O-CB 3.49Å; L236-E260 PolarHBondContact O-N 3.11Å; G237-E260 WeakPolarHBondContact CA-OE2 3.11Å; H238-E260 WeakPolarHBondContact CA-O 3.45Å; H238-E260 PolarHBondContact N-O 3.46Å |
| 261 | I | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 133.5 | -170.6 | -56.2 | -66.3 | 0 | 0 | 0 | 110.6 | H238 Y240 F259 P263 V280 L283 Y290 S291 L292 N293 | H238-I261 VanDerWaalsContact O-CD1 3.29Å; H238-I261 WeakPolarHBondContact O-CD1 3.4Å; Y240-I261 HydrophobicContact CD1-CD1 3.87Å; Y240-I261 HydrophobicContact CE1-CB 4.49Å; Y240-I261 HydrophobicContact CE1-CD1 3.64Å; Y240-I261 HydrophobicContact CE1-CG2 3.95Å; F259-I261 HydrophobicContact CB-CD1 3.87Å; F259-I261 HydrophobicContact CB-CG1 4.12Å; F259-I261 PolarHBondContact O-N 2.99Å; I261-P263 HydrophobicContact CG2-CG 3.99Å; I261-P263 WeakPolarHBondContact O-CD 3.26Å; I261-V280 HydrophobicContact CB-CG2 4.31Å; I261-V280 HydrophobicContact CG1-CG2 4.2Å; I261-V280 HydrophobicContact CG2-CB 3.91Å; I261-V280 HydrophobicContact CG2-CG2 3.77Å; I261-L283 HydrophobicContact CD1-CD1 3.6Å; I261-L283 HydrophobicContact CG1-CD1 3.84Å; I261-Y290 HydrophobicContact CG1-CD2 4.19Å; I261-Y290 HydrophobicContact CG1-CG 4.46Å; I261-S291 VanDerWaalsContact CB-O 3.28Å; I261-S291 WeakPolarHBondContact CB-O 3.47Å; I261-S291 PolarHBondContact N-O 3.24Å; I261-S291 VanDerWaalsContact N-O 3.12Å; I261-L292 HydrophobicContact CG2-CD2 4.39Å; I261-L292 CarbonylContact O-C 3.6Å; I261-L292 WeakPolarHBondContact O-CA 3.48Å; I261-N293 PolarHBondContact N-ND2 3.3Å; I261-N293 PolarHBondContact O-N 2.88Å; I261-N293 PolarHBondContact O-ND2 2.96Å |
| 262 | C | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | trans | -123.3 | 78.3 | 179.1 | -49.3 | 0 | 0 | 0 | 0 | 109.8 | Y240 W264 S265 S266 N293 D295 | Y240-C262 WeakPolarHBondContact OH-CA 3.37Å; Y240-C262 PolarHBondContact OH-N 2.95Å; Y240-C262 PolarHBondContact OH-O 3.37Å; Y240-C262 VanDerWaalsContact OH-O 3.08Å; C262-W264 PolarHBondContact O-N 3.09Å; C262-S265 PolarHBondContact O-N 3.04Å; C262-S266 PolarHBondContact O-N 3.36Å; C262-N293 WeakPolarHBondContact CA-O 3.18Å; C262-D295 HydrophobicContact CB-CB 3.9Å | ||
| 263 | P | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -54 | -54.2 | -168.8 | -27.1 | 33.1 | 0 | 0 | 0 | 114.6 | I261 S266 Y267 L292 D307 M310 T311 | I261-P263 HydrophobicContact CG2-CG 3.99Å; I261-P263 WeakPolarHBondContact O-CD 3.26Å; P263-S266 PolarHBondContact O-N 3.18Å; P263-S266 PolarHBondContact O-OG 2.73Å; P263-Y267 PolarHBondContact O-N 3.35Å; P263-L292 HydrophobicContact CG-CD2 3.76Å; P263-D307 VanDerWaalsContact CD-OD1 3.28Å; P263-D307 WeakPolarHBondContact CD-OD1 3.19Å; P263-D307 HydrophobicContact CG-CB 4.2Å; P263-M310 HydrophobicContact CB-CE 3.16Å; P263-M310 WeakPolarHBondContact O-CE 3.24Å; P263-T311 HydrophobicContact CB-CG2 4.21Å; P263-T311 HydrophobicContact CG-CG2 3.83Å |
| 264 | W | 98.9 | Very high | 98.5 | Very high | 59 Ų | 59 | 38.5 Ų | 38.5 | 22% | 0.223 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -71 | -36.5 | -176.1 | -178.3 | -115.1 | 0 | 0 | 0 | 112.2 | C262 S266 Y267 L268 F300 T306 D307 M310 | C262-W264 PolarHBondContact O-N 3.09Å; W264-S266 VanDerWaalsContact C-N 3.34Å; W264-S266 PolarHBondContact O-N 3.18Å; W264-Y267 AromaticContact CE3-CD1 3.89Å; W264-Y267 HydrophobicContact CE3-CD1 3.89Å; W264-Y267 AromaticContact CH2-CD1 3.71Å; W264-Y267 HydrophobicContact CH2-CD1 3.71Å; W264-Y267 AromaticContact CH2-CE1 3.73Å; W264-Y267 HydrophobicContact CH2-CE1 3.73Å; W264-Y267 HydrophobicContact CZ2-CD1 4.4Å; W264-Y267 AromaticContact CZ3-CD1 3.42Å; W264-Y267 HydrophobicContact CZ3-CD1 3.42Å; W264-Y267 VanDerWaalsContact CZ3-CD1 3.42Å; W264-Y267 AromaticContact CZ3-CE1 3.78Å; W264-Y267 HydrophobicContact CZ3-CE1 3.78Å; W264-Y267 HydrophobicContact CZ3-CG 4.28Å; W264-Y267 WeakPolarHBondContact O-CB 3.37Å; W264-Y267 PolarHBondContact O-N 3.22Å; W264-L268 HydrophobicContact CD2-CD1 4.45Å; W264-L268 HydrophobicContact CZ2-CD1 3.96Å; W264-L268 HydrophobicContact CZ2-CD2 4.18Å; W264-L268 HydrophobicContact CZ2-CG 4.18Å; W264-L268 VanDerWaalsContact NE1-CD1 3.34Å; W264-L268 PolarHBondContact O-N 2.94Å; W264-F300 PolarHBondContact NE1-O 2.71Å; W264-T306 HydrophobicContact CB-CG2 4.02Å; W264-T306 HydrophobicContact CD2-CG2 3.94Å; W264-T306 HydrophobicContact CG-CG2 3.65Å; W264-D307 VanDerWaalsContact CB-OD1 3.29Å; W264-D307 WeakPolarHBondContact CB-OD1 3.46Å; W264-D307 PolarHBondContact N-OD1 2.92Å; W264-M310 HydrophobicContact CE3-SD 3.93Å |
| 265 | S | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -54.7 | -50.7 | 169.9 | 167 | 0 | 0 | 0 | 0 | 110.8 | C262 Y267 L268 T269 D295 F300 | C262-S265 PolarHBondContact O-N 3.04Å; S265-Y267 PolarHBondContact O-N 3.14Å; S265-Y267 VanDerWaalsContact O-N 3.1Å; S265-L268 PolarHBondContact O-N 3.42Å; S265-T269 PolarHBondContact O-N 3.31Å; S265-T269 PolarHBondContact O-OG1 3.27Å; S265-D295 VanDerWaalsContact CB-OD2 3.29Å; S265-D295 WeakPolarHBondContact CB-OD2 3.49Å; S265-D295 PolarHBondContact OG-OD2 3.14Å; S265-F300 VanDerWaalsContact OG-CE2 3.27Å; S265-F300 WeakPolarHBondContact OG-CE2 3.4Å; S265-F300 WeakPolarHBondContact OG-CZ 3.29Å |
| 266 | S | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.8 | -32.4 | -176.7 | 78.5 | 0 | 0 | 0 | 0 | 113.6 | C262 P263 W264 G270 A271 W272 H278 | C262-S266 PolarHBondContact O-N 3.36Å; P263-S266 PolarHBondContact O-N 3.18Å; P263-S266 PolarHBondContact O-OG 2.73Å; W264-S266 VanDerWaalsContact C-N 3.34Å; W264-S266 PolarHBondContact O-N 3.18Å; S266-G270 PolarHBondContact O-N 3.16Å; S266-A271 PolarHBondContact O-N 3.36Å; S266-A271 VanDerWaalsContact O-N 3.09Å; S266-W272 PolarHBondContact O-N 2.83Å; S266-W272 WeakPolarHBondContact OG-CB 3.39Å; S266-H278 PolarHBondContact OG-NE2 2.92Å; S266-H278 VanDerWaalsContact OG-NE2 3.11Å |
| 267 | Y | 98.8 | Very high | 98.3 | Very high | 56 Ų | 56 | 37.7 Ų | 37.7 | 22% | 0.22 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67.6 | -47.3 | 173.5 | 170 | -109.5 | 0 | 0 | 0 | 111.3 | P55 P263 W264 S265 G270 W272 P274 | P55-Y267 VanDerWaalsContact CB-O 3.29Å; P55-Y267 WeakPolarHBondContact CB-O 3.31Å; P55-Y267 WeakPolarHBondContact CD-OH 3.28Å; P55-Y267 HydrophobicContact CG-CD1 4.49Å; P55-Y267 HydrophobicContact CG-CD2 3.98Å; P55-Y267 HydrophobicContact CG-CE1 4.07Å; P55-Y267 HydrophobicContact CG-CE2 3.5Å; P55-Y267 HydrophobicContact CG-CG 4.46Å; P55-Y267 VanDerWaalsContact CG-O 3.3Å; P55-Y267 WeakPolarHBondContact CG-O 3.09Å; P263-Y267 PolarHBondContact O-N 3.35Å; W264-Y267 AromaticContact CE3-CD1 3.89Å; W264-Y267 HydrophobicContact CE3-CD1 3.89Å; W264-Y267 AromaticContact CH2-CD1 3.71Å; W264-Y267 HydrophobicContact CH2-CD1 3.71Å; W264-Y267 AromaticContact CH2-CE1 3.73Å; W264-Y267 HydrophobicContact CH2-CE1 3.73Å; W264-Y267 HydrophobicContact CZ2-CD1 4.4Å; W264-Y267 AromaticContact CZ3-CD1 3.42Å; W264-Y267 HydrophobicContact CZ3-CD1 3.42Å; W264-Y267 VanDerWaalsContact CZ3-CD1 3.42Å; W264-Y267 AromaticContact CZ3-CE1 3.78Å; W264-Y267 HydrophobicContact CZ3-CE1 3.78Å; W264-Y267 HydrophobicContact CZ3-CG 4.28Å; W264-Y267 WeakPolarHBondContact O-CB 3.37Å; W264-Y267 PolarHBondContact O-N 3.22Å; S265-Y267 PolarHBondContact O-N 3.14Å; S265-Y267 VanDerWaalsContact O-N 3.1Å; Y267-G270 PolarHBondContact O-N 3.03Å; Y267-W272 HydrophobicContact CD2-CZ3 4.31Å; Y267-P274 HydrophobicContact CD2-CB 4.32Å; Y267-P274 HydrophobicContact CD2-CG 4.42Å; Y267-P274 HydrophobicContact CE2-CB 4.16Å; Y267-P274 HydrophobicContact CE2-CG 4.02Å |
| 268 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -75.8 | -30.6 | -174.2 | -70.7 | -178.7 | 0 | 0 | 0 | 113.8 | M52 P55 L56 W264 S265 G270 F300 | M52-L268 HydrophobicContact CB-CD1 4.28Å; M52-L268 HydrophobicContact CB-CD2 4.48Å; M52-L268 HydrophobicContact CE-CB 4.34Å; M52-L268 WeakPolarHBondContact CE-O 3.32Å; M52-L268 WeakPolarHBondContact O-CD1 3.26Å; P55-L268 WeakPolarHBondContact CA-O 3.3Å; L56-L268 PolarHBondContact N-O 2.96Å; W264-L268 HydrophobicContact CD2-CD1 4.45Å; W264-L268 HydrophobicContact CZ2-CD1 3.96Å; W264-L268 HydrophobicContact CZ2-CD2 4.18Å; W264-L268 HydrophobicContact CZ2-CG 4.18Å; W264-L268 VanDerWaalsContact NE1-CD1 3.34Å; W264-L268 PolarHBondContact O-N 2.94Å; S265-L268 PolarHBondContact O-N 3.42Å; L268-G270 VanDerWaalsContact C-N 3.28Å; L268-F300 HydrophobicContact CB-CD1 3.79Å; L268-F300 HydrophobicContact CB-CE1 3.91Å; L268-F300 HydrophobicContact CD1-CB 3.76Å; L268-F300 HydrophobicContact CD1-CD1 3.45Å; L268-F300 VanDerWaalsContact CD1-CD1 3.45Å; L268-F300 HydrophobicContact CD1-CE1 4.4Å; L268-F300 HydrophobicContact CD1-CG 3.94Å; L268-F300 HydrophobicContact CG-CD1 4.27Å |
| 269 | T | 98.4 | Very high | 98.3 | Very high | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.012 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -80.8 | -11.2 | 174.4 | 65.9 | 0 | 0 | 0 | 0 | 113 | T57 L58 F61 E217 S265 A271 F300 | T57-T269 CarbonylContact C-O 3.55Å; T57-T269 WeakPolarHBondContact CA-O 3.45Å; L58-T269 PolarHBondContact N-O 2.78Å; F61-T269 HydrophobicContact CB-CG2 4.28Å; F61-T269 HydrophobicContact CD1-CG2 4.19Å; F61-T269 HydrophobicContact CD2-CG2 4.5Å; F61-T269 HydrophobicContact CG-CG2 4.05Å; E217-T269 PolarHBondContact OE1-OG1 3.3Å; S265-T269 PolarHBondContact O-N 3.31Å; S265-T269 PolarHBondContact O-OG1 3.27Å; T269-A271 WeakPolarHBondContact OG1-CB 3.23Å; T269-F300 HydrophobicContact CG2-CE1 4.06Å; T269-F300 HydrophobicContact CG2-CZ 3.76Å |
| 270 | G | 98.1 | Very high | 98.3 | Very high | 30 Ų | 30 | 37.6 Ų | 37.6 | 31% | 0.309 | 20% | 0.197 | S | C | . | . | S | Bend | trans | 79.2 | 5.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | S266 Y267 L268 W272 | S266-G270 PolarHBondContact O-N 3.16Å; Y267-G270 PolarHBondContact O-N 3.03Å; L268-G270 VanDerWaalsContact C-N 3.28Å; G270-W272 PolarHBondContact O-N 3.35Å |
| 271 | A | 98.4 | Very high | 98.3 | Very high | 10 Ų | 10 | 38.2 Ų | 38.2 | 8% | 0.083 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -57.4 | -37.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | E217 V218 Y240 H241 S266 T269 | E217-A271 HydrophobicContact CG-CB 3.83Å; E217-A271 WeakPolarHBondContact O-CB 3.4Å; V218-A271 HydrophobicContact CG1-CB 4.05Å; Y240-A271 HydrophobicContact CD2-CB 4.08Å; Y240-A271 HydrophobicContact CE2-CB 4.08Å; H241-A271 PolarHBondContact CE1-O 2.92Å; S266-A271 PolarHBondContact O-N 3.36Å; S266-A271 VanDerWaalsContact O-N 3.09Å; T269-A271 WeakPolarHBondContact OG1-CB 3.23Å |
| 272 | W | 98.6 | Very high | 98.3 | Very high | 38 Ų | 38 | 42 Ų | 42 | 14% | 0.144 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -116.1 | 133.8 | 170.2 | 169.3 | 59.9 | 0 | 0 | 0 | 110.5 | S266 Y267 G270 P274 T276 H278 M315 | S266-W272 PolarHBondContact O-N 2.83Å; S266-W272 WeakPolarHBondContact OG-CB 3.39Å; Y267-W272 HydrophobicContact CD2-CZ3 4.31Å; G270-W272 PolarHBondContact O-N 3.35Å; W272-P274 HydrophobicContact CH2-CB 4.25Å; W272-P274 HydrophobicContact CZ2-CB 4.48Å; W272-T276 WeakPolarHBondContact CZ2-O 3.43Å; W272-T276 PolarHBondContact NE1-O 3.48Å; W272-T276 PolarHBondContact NE1-OG1 3.44Å; W272-H278 HydrophobicContact CD2-CB 4.13Å; W272-H278 AromaticContact CD2-CD2 3.68Å; W272-H278 AromaticContact CE3-CD2 3.74Å; W272-H278 HydrophobicContact CG-CB 4.42Å; W272-H278 HydrophobicContact CZ2-CB 4.1Å; W272-M315 HydrophobicContact CH2-CE 4.4Å |
| 273 | K | 97.3 | Very high | 98.3 | Very high | 138 Ų | 138 | 42.3 Ų | 42.3 | 60% | 0.6 | 22% | 0.216 | S | C | * | . | trans | -94.6 | 128.5 | 175 | -57.5 | -176.6 | -177.6 | 175.8 | 0 | 109.7 | D275 T276 | K273-D275 WeakPolarHBondContact CB-OD1 3.49Å; K273-D275 PolarHBondContact O-N 3.21Å; K273-T276 PolarHBondContact O-N 2.98Å; K273-T276 PolarHBondContact O-OG1 3.38Å | ||
| 274 | P | 95.3 | Very high | 98.3 | Very high | 82 Ų | 82 | 44 Ų | 44 | 53% | 0.532 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -10 | -171.6 | 29.6 | -38.7 | 0 | 0 | 0 | 114.7 | Y267 W272 T276 | Y267-P274 HydrophobicContact CD2-CB 4.32Å; Y267-P274 HydrophobicContact CD2-CG 4.42Å; Y267-P274 HydrophobicContact CE2-CB 4.16Å; Y267-P274 HydrophobicContact CE2-CG 4.02Å; W272-P274 HydrophobicContact CH2-CB 4.25Å; W272-P274 HydrophobicContact CZ2-CB 4.48Å; P274-T276 VanDerWaalsContact C-N 3.34Å |
| 275 | D | 96.1 | Very high | 98.3 | Very high | 139 Ų | 139 | 45.7 Ų | 45.7 | 74% | 0.743 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -3 | 173.9 | 64.8 | -34.8 | 0 | 0 | 0 | 113.5 | K273 | K273-D275 WeakPolarHBondContact CB-OD1 3.49Å; K273-D275 PolarHBondContact O-N 3.21Å |
| 276 | T | 97.6 | Very high | 98.3 | Very high | 76 Ų | 76 | 47.4 Ų | 47.4 | 47% | 0.466 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -110.7 | 157.5 | 171.5 | 70.9 | 0 | 0 | 0 | 0 | 111.2 | W272 K273 P274 H278 | W272-T276 WeakPolarHBondContact CZ2-O 3.43Å; W272-T276 PolarHBondContact NE1-O 3.48Å; W272-T276 PolarHBondContact NE1-OG1 3.44Å; K273-T276 PolarHBondContact O-N 2.98Å; K273-T276 PolarHBondContact O-OG1 3.38Å; P274-T276 VanDerWaalsContact C-N 3.34Å; T276-H278 PolarHBondContact O-N 2.93Å |
| 277 | E | 98.2 | Very high | 98.3 | Very high | 142 Ų | 142 | 52.5 Ų | 52.5 | 66% | 0.664 | 27% | 0.27 | S | S | * | . | trans | -70 | 129.4 | 171.8 | -171.2 | 175.7 | 84.9 | 0 | 0 | 109.8 | V281 | E277-V281 VanDerWaalsContact CD-CG1 3.45Å; E277-V281 HydrophobicContact CG-CB 3.75Å; E277-V281 HydrophobicContact CG-CG1 3.98Å; E277-V281 HydrophobicContact CG-CG2 3.81Å; E277-V281 WeakPolarHBondContact OE1-CG1 3.41Å | ||
| 278 | H | 98.8 | Very high | 98.3 | Very high | 4 Ų | 4 | 50.1 Ų | 50.1 | 2% | 0.019 | 26% | 0.262 | C | S | . | . | trans | -64.4 | 138.1 | -179.7 | -169.5 | -44.2 | 0 | 0 | 0 | 111 | Y240 S266 W272 T276 V280 V281 M315 | Y240-H278 AromaticContact CE1-CE1 3.88Å; S266-H278 PolarHBondContact OG-NE2 2.92Å; S266-H278 VanDerWaalsContact OG-NE2 3.11Å; W272-H278 HydrophobicContact CD2-CB 4.13Å; W272-H278 AromaticContact CD2-CD2 3.68Å; W272-H278 AromaticContact CE3-CD2 3.74Å; W272-H278 HydrophobicContact CG-CB 4.42Å; W272-H278 HydrophobicContact CZ2-CB 4.1Å; T276-H278 PolarHBondContact O-N 2.93Å; H278-V280 HydrophobicContact CB-CG1 4.39Å; H278-V280 PolarHBondContact ND1-N 3Å; H278-V280 VanDerWaalsContact ND1-N 3.15Å; H278-V280 PolarHBondContact O-N 3.12Å; H278-V281 WeakPolarHBondContact O-CB 3.42Å; H278-V281 WeakPolarHBondContact O-CG2 3.24Å; H278-V281 PolarHBondContact O-N 3.17Å; H278-M315 HydrophobicContact CB-CE 3.74Å; H278-M315 HydrophobicContact CB-SD 4.11Å | ||
| 279 | A | 98.8 | Very high | 98.3 | Very high | 14 Ų | 14 | 50.5 Ų | 50.5 | 12% | 0.116 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -46.8 | -34.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115 | Y240 L243 V281 R282 L283 | Y240-A279 HydrophobicContact CD1-CB 4.21Å; L243-A279 HydrophobicContact CD1-CB 3.54Å; L243-A279 HydrophobicContact CG-CB 4.4Å; A279-V281 PolarHBondContact O-N 2.75Å; A279-R282 WeakPolarHBondContact O-CB 3.49Å; A279-R282 PolarHBondContact O-N 3.04Å; A279-R282 VanDerWaalsContact O-N 3.08Å; A279-L283 PolarHBondContact O-N 3.35Å; A279-L283 VanDerWaalsContact O-N 3.1Å |
| 280 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.5 | -25.3 | -179.4 | 79.7 | 0 | 0 | 0 | 0 | 112.8 | I261 H278 L283 K284 Y290 L292 T311 M315 F317 | I261-V280 HydrophobicContact CB-CG2 4.31Å; I261-V280 HydrophobicContact CG1-CG2 4.2Å; I261-V280 HydrophobicContact CG2-CB 3.91Å; I261-V280 HydrophobicContact CG2-CG2 3.77Å; H278-V280 HydrophobicContact CB-CG1 4.39Å; H278-V280 PolarHBondContact ND1-N 3Å; H278-V280 VanDerWaalsContact ND1-N 3.15Å; H278-V280 PolarHBondContact O-N 3.12Å; V280-L283 PolarHBondContact O-N 3.17Å; V280-K284 WeakPolarHBondContact O-CB 3.25Å; V280-K284 PolarHBondContact O-N 3.25Å; V280-Y290 HydrophobicContact CG2-CD2 3.86Å; V280-Y290 HydrophobicContact CG2-CE2 3.54Å; V280-L292 HydrophobicContact CG2-CD2 4.25Å; V280-T311 HydrophobicContact CG1-CG2 4.42Å; V280-M315 HydrophobicContact CG1-SD 3.52Å; V280-M315 VanDerWaalsContact CG1-SD 3.52Å; V280-F317 HydrophobicContact CG1-CE2 4.24Å; V280-F317 HydrophobicContact CG1-CZ 4.17Å; V280-F317 HydrophobicContact CG2-CZ 3.83Å |
| 281 | V | 98.9 | Very high | 98.3 | Very high | 12 Ų | 12 | 49 Ų | 49 | 7% | 0.073 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.2 | -44.2 | 173.8 | -178.6 | 0 | 0 | 0 | 0 | 110.2 | E277 H278 A279 K284 N285 M315 | E277-V281 VanDerWaalsContact CD-CG1 3.45Å; E277-V281 HydrophobicContact CG-CB 3.75Å; E277-V281 HydrophobicContact CG-CG1 3.98Å; E277-V281 HydrophobicContact CG-CG2 3.81Å; E277-V281 WeakPolarHBondContact OE1-CG1 3.41Å; H278-V281 WeakPolarHBondContact O-CB 3.42Å; H278-V281 WeakPolarHBondContact O-CG2 3.24Å; H278-V281 PolarHBondContact O-N 3.17Å; A279-V281 PolarHBondContact O-N 2.75Å; V281-K284 PolarHBondContact O-N 2.89Å; V281-N285 WeakPolarHBondContact O-CB 3.48Å; V281-N285 PolarHBondContact O-N 2.89Å; V281-N285 PolarHBondContact O-ND2 3.02Å; V281-M315 HydrophobicContact CG2-CB 3.92Å; V281-M315 HydrophobicContact CG2-CG 4.01Å; V281-M315 HydrophobicContact CG2-SD 4.2Å |
| 282 | R | 98.8 | Very high | 98.4 | Very high | 81 Ų | 81 | 48.5 Ų | 48.5 | 31% | 0.306 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.9 | -48.4 | 173.6 | -179.4 | 62.3 | 179.7 | -77.5 | -1 | 110.7 | L243 Q246 Y249 A279 K284 N285 D286 | L243-R282 HydrophobicContact CD1-CB 3.84Å; L243-R282 HydrophobicContact CD1-CG 4.1Å; L243-R282 HydrophobicContact CD2-CG 4.08Å; Q246-R282 VanDerWaalsContact OE1-NH2 3.11Å; Y249-R282 HydrophobicContact CE1-CG 4.33Å; A279-R282 WeakPolarHBondContact O-CB 3.49Å; A279-R282 PolarHBondContact O-N 3.04Å; A279-R282 VanDerWaalsContact O-N 3.08Å; R282-K284 VanDerWaalsContact C-N 3.32Å; R282-K284 PolarHBondContact O-N 3.34Å; R282-N285 PolarHBondContact O-N 2.84Å; R282-D286 IonicContact CZ-OD2 3.32Å; R282-D286 IonicContact NE-OD1 2.7Å; R282-D286 IonicContact NE-OD2 3.73Å; R282-D286 PolarHBondContact NE-OD2 3.01Å; R282-D286 IonicContact NH2-OD2 2.71Å; R282-D286 WeakPolarHBondContact O-CB 3.49Å; R282-D286 PolarHBondContact O-N 3.44Å |
| 283 | L | 98.9 | Very high | 98.4 | Very high | 5 Ų | 5 | 46.7 Ų | 46.7 | 3% | 0.026 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -57.9 | -42 | 178.6 | -60.7 | -177.5 | 0 | 0 | 0 | 112.5 | Y249 F259 I261 A279 V280 Q287 A288 Y290 | Y249-L283 HydrophobicContact CE2-CD2 3.59Å; F259-L283 HydrophobicContact CB-CD1 3.98Å; F259-L283 HydrophobicContact CD2-CD1 4.38Å; F259-L283 HydrophobicContact CD2-CD2 4.25Å; F259-L283 HydrophobicContact CE2-CD2 4.38Å; F259-L283 HydrophobicContact CG-CD1 4.15Å; I261-L283 HydrophobicContact CD1-CD1 3.6Å; I261-L283 HydrophobicContact CG1-CD1 3.84Å; A279-L283 PolarHBondContact O-N 3.35Å; A279-L283 VanDerWaalsContact O-N 3.1Å; V280-L283 PolarHBondContact O-N 3.17Å; L283-Q287 PolarHBondContact O-N 3.09Å; L283-Q287 VanDerWaalsContact O-N 3.09Å; L283-A288 HydrophobicContact CB-CB 4.08Å; L283-A288 HydrophobicContact CD2-CB 3.9Å; L283-A288 WeakPolarHBondContact O-CB 3.35Å; L283-A288 PolarHBondContact O-N 2.86Å; L283-Y290 HydrophobicContact CB-CD1 3.81Å; L283-Y290 HydrophobicContact CB-CE1 4.08Å; L283-Y290 HydrophobicContact CB-CG 4.37Å; L283-Y290 HydrophobicContact CD1-CG 4.34Å |
| 284 | K | 98.8 | Very high | 98.5 | Very high | 35 Ų | 35 | 40.1 Ų | 40.1 | 15% | 0.152 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.4 | -53.8 | 173.5 | 172.7 | 179.9 | 66 | 69.6 | 0 | 111.6 | V280 V281 R282 D286 Q287 M315 F317 E321 | V280-K284 WeakPolarHBondContact O-CB 3.25Å; V280-K284 PolarHBondContact O-N 3.25Å; V281-K284 PolarHBondContact O-N 2.89Å; R282-K284 VanDerWaalsContact C-N 3.32Å; R282-K284 PolarHBondContact O-N 3.34Å; K284-D286 PolarHBondContact O-N 3.37Å; K284-Q287 PolarHBondContact O-N 3.36Å; K284-Q287 PolarHBondContact O-NE2 3.24Å; K284-M315 WeakPolarHBondContact CE-O 3.37Å; K284-F317 HydrophobicContact CB-CE2 4.2Å; K284-F317 HydrophobicContact CB-CZ 4.02Å; K284-F317 HydrophobicContact CD-CD2 3.68Å; K284-F317 HydrophobicContact CD-CE1 4.48Å; K284-F317 HydrophobicContact CD-CE2 3.59Å; K284-F317 HydrophobicContact CD-CG 4.16Å; K284-F317 HydrophobicContact CD-CZ 4Å; K284-F317 HydrophobicContact CG-CE2 4.44Å; K284-F317 HydrophobicContact CG-CZ 4.46Å; K284-E321 HydrophobicContact CD-CG 4.04Å; K284-E321 HydrophobicContact CG-CG 3.92Å |
| 285 | N | 98.8 | Very high | 98.6 | Very high | 96 Ų | 96 | 36.4 Ų | 36.4 | 51% | 0.513 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -62.2 | -34.2 | -176 | -67.2 | -16.1 | 0 | 0 | 0 | 111.6 | V281 R282 Q287 | V281-N285 WeakPolarHBondContact O-CB 3.48Å; V281-N285 PolarHBondContact O-N 2.89Å; V281-N285 PolarHBondContact O-ND2 3.02Å; R282-N285 PolarHBondContact O-N 2.84Å; N285-Q287 VanDerWaalsContact C-N 3.29Å; N285-Q287 PolarHBondContact O-N 2.97Å |
| 286 | D | 98.8 | Very high | 98.8 | Very high | 36 Ų | 36 | 29.9 Ų | 29.9 | 19% | 0.193 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -4.2 | 178 | -80.7 | 4.8 | 0 | 0 | 0 | 113.8 | Y249 R253 R282 K284 A288 | Y249-D286 WeakPolarHBondContact CE1-OD2 3.25Å; Y249-D286 VanDerWaalsContact CZ-OD2 3.3Å; Y249-D286 VanDerWaalsContact OH-CB 3.29Å; Y249-D286 WeakPolarHBondContact OH-CB 3.29Å; Y249-D286 VanDerWaalsContact OH-CG 3.32Å; Y249-D286 PolarHBondContact OH-OD2 3Å; R253-D286 IonicContact CZ-OD2 3.77Å; R253-D286 IonicContact NH1-OD1 3.19Å; R253-D286 IonicContact NH1-OD2 2.99Å; R253-D286 PolarHBondContact NH1-OD2 2.75Å; R253-D286 PolarHBondContact NH2-O 3.39Å; R282-D286 IonicContact CZ-OD2 3.32Å; R282-D286 IonicContact NE-OD1 2.7Å; R282-D286 IonicContact NE-OD2 3.73Å; R282-D286 PolarHBondContact NE-OD2 3.01Å; R282-D286 IonicContact NH2-OD2 2.71Å; R282-D286 WeakPolarHBondContact O-CB 3.49Å; R282-D286 PolarHBondContact O-N 3.44Å; K284-D286 PolarHBondContact O-N 3.37Å; D286-A288 PolarHBondContact O-N 3.46Å |
| 287 | Q | 98.7 | Very high | 98.8 | Very high | 106 Ų | 106 | 27 Ų | 27 | 50% | 0.495 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 34.3 | -175.5 | -62.5 | -71.2 | -69.6 | 0 | 0 | 112.7 | L283 K284 N285 E321 R324 | L283-Q287 PolarHBondContact O-N 3.09Å; L283-Q287 VanDerWaalsContact O-N 3.09Å; K284-Q287 PolarHBondContact O-N 3.36Å; K284-Q287 PolarHBondContact O-NE2 3.24Å; N285-Q287 VanDerWaalsContact C-N 3.29Å; N285-Q287 PolarHBondContact O-N 2.97Å; Q287-E321 PolarHBondContact NE2-OE2 3.19Å; Q287-R324 PolarHBondContact O-NH1 2.93Å |
| 288 | A | 98.8 | Very high | 98.9 | Very high | 7 Ų | 7 | 20.8 Ų | 20.8 | 6% | 0.058 | 10% | 0.104 | C | C | . | . | trans | -64.8 | 168.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L283 D286 Y290 R324 | L283-A288 HydrophobicContact CB-CB 4.08Å; L283-A288 HydrophobicContact CD2-CB 3.9Å; L283-A288 WeakPolarHBondContact O-CB 3.35Å; L283-A288 PolarHBondContact O-N 2.86Å; D286-A288 PolarHBondContact O-N 3.46Å; A288-Y290 WeakPolarHBondContact O-CD1 3.4Å; A288-R324 PolarHBondContact O-NH1 2.75Å; A288-R324 PolarHBondContact O-NH2 3.25Å | ||
| 289 | N | 98.9 | Very high | 98.8 | Very high | 8 Ų | 8 | 20.6 Ų | 20.6 | 4% | 0.043 | 10% | 0.103 | C | C | . | . | trans | -88.6 | 108.5 | 177.7 | -176.4 | 16.4 | 0 | 0 | 0 | 109.9 | N256 H258 F259 N328 S332 | N256-N289 PolarHBondContact O-ND2 3.21Å; N256-N289 WeakPolarHBondContact OD1-CB 3.32Å; H258-N289 WeakPolarHBondContact CA-O 3.43Å; H258-N289 PolarHBondContact ND1-OD1 3.4Å; F259-N289 PolarHBondContact N-O 2.78Å; N289-N328 WeakPolarHBondContact OD1-CB 3.45Å; N289-S332 PolarHBondContact ND2-OG 3.02Å; N289-S332 PolarHBondContact OD1-OG 3.45Å | ||
| 290 | Y | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 164.8 | 180 | 72 | -86.8 | 0 | 0 | 0 | 112 | F259 I261 V280 L283 A288 L292 F317 E321 L325 | F259-Y290 CarbonylContact O-C 3.41Å; F259-Y290 WeakPolarHBondContact O-CA 3.49Å; F259-Y290 VanDerWaalsContact O-CB 3.22Å; F259-Y290 WeakPolarHBondContact O-CB 3.46Å; I261-Y290 HydrophobicContact CG1-CD2 4.19Å; I261-Y290 HydrophobicContact CG1-CG 4.46Å; V280-Y290 HydrophobicContact CG2-CD2 3.86Å; V280-Y290 HydrophobicContact CG2-CE2 3.54Å; L283-Y290 HydrophobicContact CB-CD1 3.81Å; L283-Y290 HydrophobicContact CB-CE1 4.08Å; L283-Y290 HydrophobicContact CB-CG 4.37Å; L283-Y290 HydrophobicContact CD1-CG 4.34Å; A288-Y290 WeakPolarHBondContact O-CD1 3.4Å; Y290-L292 HydrophobicContact CE2-CD2 4.2Å; Y290-F317 AromaticContact CE2-CE1 3.99Å; Y290-F317 HydrophobicContact CE2-CE1 3.99Å; Y290-F317 HydrophobicContact CE2-CZ 4.2Å; Y290-F317 AromaticContact CZ-CE1 3.92Å; Y290-F317 WeakPolarHBondContact OH-CE1 3.39Å; Y290-F317 VanDerWaalsContact OH-CZ 3.25Å; Y290-F317 WeakPolarHBondContact OH-CZ 3Å; Y290-E321 WeakPolarHBondContact CE1-OE1 3.04Å; Y290-E321 WeakPolarHBondContact OH-CG 3.33Å; Y290-E321 PolarHBondContact OH-OE1 3.04Å; Y290-L325 HydrophobicContact CE2-CB 4.16Å; Y290-L325 HydrophobicContact CE2-CD2 3.88Å |
| 291 | S | 99 | Very high | 98.8 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 163.7 | 173.7 | 51.1 | 0 | 0 | 0 | 0 | 110.9 | H258 F259 I261 N293 | H258-S291 PolarHBondContact CE1-N 3.08Å; H258-S291 WeakPolarHBondContact NE2-CB 3.31Å; H258-S291 PolarHBondContact NE2-N 3.48Å; H258-S291 PolarHBondContact NE2-OG 2.78Å; F259-S291 PolarHBondContact O-N 3.37Å; I261-S291 VanDerWaalsContact CB-O 3.28Å; I261-S291 WeakPolarHBondContact CB-O 3.47Å; I261-S291 PolarHBondContact N-O 3.24Å; I261-S291 VanDerWaalsContact N-O 3.12Å; S291-N293 PolarHBondContact OG-ND2 2.83Å |
| 292 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 132.7 | 169.5 | -65.3 | -176.5 | 0 | 0 | 0 | 108.9 | I261 P263 V280 Y290 Y308 T311 F317 F322 L325 | I261-L292 HydrophobicContact CG2-CD2 4.39Å; I261-L292 CarbonylContact O-C 3.6Å; I261-L292 WeakPolarHBondContact O-CA 3.48Å; P263-L292 HydrophobicContact CG-CD2 3.76Å; V280-L292 HydrophobicContact CG2-CD2 4.25Å; Y290-L292 HydrophobicContact CE2-CD2 4.2Å; L292-Y308 HydrophobicContact CB-CD2 4.4Å; L292-Y308 HydrophobicContact CB-CE2 3.89Å; L292-Y308 HydrophobicContact CD1-CD1 4.45Å; L292-Y308 HydrophobicContact CD1-CD2 4.11Å; L292-Y308 HydrophobicContact CD1-CE1 4.45Å; L292-Y308 HydrophobicContact CD1-CE2 4.11Å; L292-Y308 HydrophobicContact CD1-CG 4.32Å; L292-T311 HydrophobicContact CD1-CG2 4.26Å; L292-T311 HydrophobicContact CD2-CG2 4.19Å; L292-F317 HydrophobicContact CD1-CE1 4.38Å; L292-F322 HydrophobicContact CD1-CD1 4.15Å; L292-F322 HydrophobicContact CD1-CE1 3.82Å; L292-L325 HydrophobicContact CB-CD1 4.34Å; L292-L325 HydrophobicContact CD1-CD1 4.46Å; L292-L325 HydrophobicContact CD1-CD2 3.88Å; L292-L325 HydrophobicContact CG-CD1 4.05Å; L292-L325 HydrophobicContact CG-CD2 3.89Å |
| 293 | N | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.117 | C | C | . | . | trans | -144.8 | 155.6 | -169.8 | -46.1 | -88.7 | 0 | 0 | 0 | 112.3 | E13 L14 H15 I261 C262 S291 | E13-N293 HydrophobicContact CG-CB 4.11Å; L14-N293 PolarHBondContact N-OD1 3.35Å; H15-N293 HydrophobicContact CB-CB 3.73Å; H15-N293 PolarHBondContact N-OD1 2.99Å; H15-N293 VanDerWaalsContact N-OD1 3.08Å; H15-N293 WeakPolarHBondContact O-CB 3.31Å; I261-N293 PolarHBondContact N-ND2 3.3Å; I261-N293 PolarHBondContact O-N 2.88Å; I261-N293 PolarHBondContact O-ND2 2.96Å; C262-N293 WeakPolarHBondContact CA-O 3.18Å; S291-N293 PolarHBondContact OG-ND2 2.83Å | ||
| 294 | T | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.116 | C | C | . | . | trans | -86.3 | -24.1 | -176.7 | 52 | 0 | 0 | 0 | 0 | 115.2 | E13 V16 K90 D296 T303 L304 | E13-T294 VanDerWaalsContact OE1-CB 3.26Å; E13-T294 WeakPolarHBondContact OE1-CB 3.07Å; E13-T294 WeakPolarHBondContact OE1-CG2 3.25Å; E13-T294 PolarHBondContact OE1-N 3Å; E13-T294 PolarHBondContact OE1-OG1 2.93Å; V16-T294 WeakPolarHBondContact CG2-OG1 3.44Å; K90-T294 PolarHBondContact NZ-OG1 2.83Å; T294-D296 PolarHBondContact O-N 2.86Å; T294-T303 VanDerWaalsContact CG2-C 3.43Å; T294-L304 VanDerWaalsContact CG2-CA 3.43Å; T294-L304 HydrophobicContact CG2-CB 3.86Å; T294-L304 HydrophobicContact CG2-CD1 3.86Å; T294-L304 HydrophobicContact CG2-CG 4.48Å | ||
| 295 | D | 98.9 | Very high | 98.8 | Very high | 3 Ų | 3 | 22.6 Ų | 22.6 | 2% | 0.016 | 12% | 0.119 | C | C | . | . | B | Isolated β-bridge | trans | 64.9 | -94 | -175.8 | -158 | 17.7 | 0 | 0 | 0 | 112.7 | H15 V16 H17 H238 C262 S265 P297 F300 | H15-D295 IonicContact CD2-OD1 3.94Å; H15-D295 PolarHBondContact CD2-OD1 3.39Å; H15-D295 VanDerWaalsContact CD2-OD1 3.24Å; H15-D295 IonicContact NE2-OD1 3.32Å; H15-D295 PolarHBondContact NE2-OD1 3.1Å; H15-D295 WeakPolarHBondContact O-CA 3.47Å; H15-D295 PolarHBondContact O-N 3.12Å; H15-D295 VanDerWaalsContact O-N 3.1Å; V16-D295 CarbonylContact C-O 3.52Å; V16-D295 VanDerWaalsContact CA-O 3.3Å; V16-D295 WeakPolarHBondContact CA-O 3.3Å; V16-D295 WeakPolarHBondContact CG2-O 3.3Å; H17-D295 IonicContact CD2-OD1 2.75Å; H17-D295 PolarHBondContact CD2-OD1 3.02Å; H17-D295 PolarHBondContact N-O 2.94Å; H17-D295 IonicContact NE2-OD1 2.78Å; H238-D295 IonicContact CE1-OD2 3.07Å; H238-D295 PolarHBondContact CE1-OD2 3.24Å; C262-D295 HydrophobicContact CB-CB 3.9Å; S265-D295 VanDerWaalsContact CB-OD2 3.29Å; S265-D295 WeakPolarHBondContact CB-OD2 3.49Å; S265-D295 PolarHBondContact OG-OD2 3.14Å; D295-P297 VanDerWaalsContact C-CD 3.49Å; D295-P297 VanDerWaalsContact O-CD 3.22Å; D295-P297 WeakPolarHBondContact O-CD 3.42Å; D295-F300 HydrophobicContact CB-CD2 4.42Å; D295-F300 HydrophobicContact CB-CE2 3.95Å |
| 296 | D | 98.9 | Very high | 98.8 | Very high | 3 Ų | 3 | 20 Ų | 20 | 2% | 0.016 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -119.5 | 72.2 | -179.1 | -61.5 | -95.5 | 0 | 0 | 0 | 112.1 | H17 G20 F61 F65 T294 L298 I299 F300 | H17-D296 WeakPolarHBondContact CB-OD1 3.45Å; H17-D296 IonicContact CD2-OD2 2.69Å; H17-D296 IonicContact CG-OD1 2.97Å; G20-D296 WeakPolarHBondContact CA-OD1 3.47Å; G20-D296 CarbonylContact O-C 3.56Å; G20-D296 WeakPolarHBondContact O-CA 3.09Å; F61-D296 HydrophobicContact CE2-CB 3.87Å; F61-D296 HydrophobicContact CZ-CB 4.03Å; F61-D296 VanDerWaalsContact CZ-CG 3.48Å; F61-D296 VanDerWaalsContact CZ-OD2 3.23Å; F61-D296 WeakPolarHBondContact CZ-OD2 3.38Å; F65-D296 VanDerWaalsContact CZ-OD1 3.29Å; F65-D296 WeakPolarHBondContact CZ-OD1 3.47Å; T294-D296 PolarHBondContact O-N 2.86Å; D296-L298 PolarHBondContact O-N 3.27Å; D296-I299 HydrophobicContact CB-CB 4.34Å; D296-I299 HydrophobicContact CB-CD1 4.3Å; D296-I299 PolarHBondContact O-N 3.26Å; D296-F300 HydrophobicContact CB-CD2 3.9Å; D296-F300 HydrophobicContact CB-CE2 3.66Å; D296-F300 HydrophobicContact CB-CZ 4.31Å; D296-F300 WeakPolarHBondContact O-CD2 3.33Å; D296-F300 PolarHBondContact O-N 3.22Å |
| 297 | P | 98.8 | Very high | 98.8 | Very high | 16 Ų | 16 | 18.3 Ų | 18.3 | 10% | 0.104 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -23.4 | -170.7 | 22.4 | -33.2 | 0 | 0 | 0 | 114.6 | V16 G20 A21 D295 K301 S302 | V16-P297 HydrophobicContact CG2-CG 4.29Å; G20-P297 WeakPolarHBondContact O-CD 3.22Å; A21-P297 HydrophobicContact CB-CG 3.66Å; D295-P297 VanDerWaalsContact C-CD 3.49Å; D295-P297 VanDerWaalsContact O-CD 3.22Å; D295-P297 WeakPolarHBondContact O-CD 3.42Å; P297-K301 WeakPolarHBondContact O-CA 3.23Å; P297-K301 PolarHBondContact O-N 2.57Å; P297-S302 WeakPolarHBondContact CA-OG 3.29Å; P297-S302 VanDerWaalsContact CB-O 3.27Å; P297-S302 WeakPolarHBondContact CB-O 3.27Å; P297-S302 PolarHBondContact O-N 3.32Å |
| 298 | L | 98.8 | Very high | 98.8 | Very high | 10 Ų | 10 | 13.2 Ų | 13.2 | 5% | 0.052 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -51.6 | 171.9 | 170.6 | 60.1 | 0 | 0 | 0 | 111.2 | G20 I22 P24 I27 L47 I50 Y68 D296 | G20-L298 WeakPolarHBondContact O-CB 3.23Å; G20-L298 PolarHBondContact O-N 3.02Å; I22-L298 HydrophobicContact CB-CD2 4.35Å; I22-L298 WeakPolarHBondContact O-CD1 3.49Å; P24-L298 HydrophobicContact CG-CD1 3.83Å; I27-L298 HydrophobicContact CD1-CD2 3.7Å; L47-L298 HydrophobicContact CD2-CD1 3.74Å; I50-L298 HydrophobicContact CG2-CG 4.29Å; Y68-L298 HydrophobicContact CD1-CD2 4.35Å; Y68-L298 HydrophobicContact CD2-CD2 4.3Å; Y68-L298 HydrophobicContact CE1-CD2 4.03Å; Y68-L298 HydrophobicContact CE2-CD2 4Å; Y68-L298 HydrophobicContact CG-CD2 4.47Å; D296-L298 PolarHBondContact O-N 3.27Å |
| 299 | I | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -38.4 | -174.3 | -62.1 | 166.1 | 0 | 0 | 0 | 109.7 | I50 G51 M52 F61 K64 F65 Y68 D296 K301 | I50-I299 HydrophobicContact CG2-CG1 3.93Å; G51-I299 CarbonylContact C-O 3.44Å; G51-I299 WeakPolarHBondContact CA-O 3.37Å; M52-I299 HydrophobicContact CG-CG2 4.04Å; M52-I299 PolarHBondContact N-O 3.31Å; M52-I299 HydrophobicContact SD-CG2 3.81Å; F61-I299 HydrophobicContact CD2-CB 4.43Å; F61-I299 HydrophobicContact CD2-CD1 4.26Å; F61-I299 HydrophobicContact CD2-CG2 3.74Å; F61-I299 HydrophobicContact CE2-CB 4.1Å; F61-I299 HydrophobicContact CE2-CD1 3.63Å; F61-I299 HydrophobicContact CE2-CG1 4.48Å; F61-I299 HydrophobicContact CE2-CG2 3.92Å; F61-I299 HydrophobicContact CZ-CD1 4.3Å; K64-I299 HydrophobicContact CB-CD1 4.04Å; K64-I299 HydrophobicContact CB-CG1 4.23Å; K64-I299 HydrophobicContact CB-CG2 4.15Å; K64-I299 HydrophobicContact CG-CG2 3.98Å; F65-I299 HydrophobicContact CD2-CD1 3.77Å; F65-I299 HydrophobicContact CE1-CD1 4.48Å; F65-I299 HydrophobicContact CE2-CD1 3.36Å; F65-I299 HydrophobicContact CZ-CD1 3.78Å; Y68-I299 HydrophobicContact CE1-CD1 4.37Å; Y68-I299 HydrophobicContact CE1-CG1 4.36Å; D296-I299 HydrophobicContact CB-CB 4.34Å; D296-I299 HydrophobicContact CB-CD1 4.3Å; D296-I299 PolarHBondContact O-N 3.26Å; I299-K301 VanDerWaalsContact C-N 3.25Å; I299-K301 PolarHBondContact O-N 2.9Å |
| 300 | F | 98.8 | Very high | 98.8 | Very high | 2 Ų | 2 | 14.7 Ų | 14.7 | 1% | 0.009 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -2.6 | 179.4 | -57.7 | -38.3 | 0 | 0 | 0 | 114 | F61 W264 S265 L268 T269 D295 D296 S302 | F61-F300 AromaticContact CD2-CE1 3.46Å; F61-F300 HydrophobicContact CD2-CE1 3.46Å; F61-F300 VanDerWaalsContact CD2-CE1 3.46Å; F61-F300 AromaticContact CD2-CZ 3.56Å; F61-F300 HydrophobicContact CD2-CZ 3.56Å; F61-F300 AromaticContact CE2-CE1 3.63Å; F61-F300 HydrophobicContact CE2-CE1 3.63Å; F61-F300 HydrophobicContact CE2-CE2 4.06Å; F61-F300 AromaticContact CE2-CZ 3.31Å; F61-F300 HydrophobicContact CE2-CZ 3.31Å; F61-F300 HydrophobicContact CG-CE1 4.36Å; F61-F300 HydrophobicContact CG-CZ 4.35Å; F61-F300 AromaticContact CZ-CZ 3.92Å; F61-F300 HydrophobicContact CZ-CZ 3.92Å; W264-F300 PolarHBondContact NE1-O 2.71Å; S265-F300 VanDerWaalsContact OG-CE2 3.27Å; S265-F300 WeakPolarHBondContact OG-CE2 3.4Å; S265-F300 WeakPolarHBondContact OG-CZ 3.29Å; L268-F300 HydrophobicContact CB-CD1 3.79Å; L268-F300 HydrophobicContact CB-CE1 3.91Å; L268-F300 HydrophobicContact CD1-CB 3.76Å; L268-F300 HydrophobicContact CD1-CD1 3.45Å; L268-F300 VanDerWaalsContact CD1-CD1 3.45Å; L268-F300 HydrophobicContact CD1-CE1 4.4Å; L268-F300 HydrophobicContact CD1-CG 3.94Å; L268-F300 HydrophobicContact CG-CD1 4.27Å; T269-F300 HydrophobicContact CG2-CE1 4.06Å; T269-F300 HydrophobicContact CG2-CZ 3.76Å; D295-F300 HydrophobicContact CB-CD2 4.42Å; D295-F300 HydrophobicContact CB-CE2 3.95Å; D296-F300 HydrophobicContact CB-CD2 3.9Å; D296-F300 HydrophobicContact CB-CE2 3.66Å; D296-F300 HydrophobicContact CB-CZ 4.31Å; D296-F300 WeakPolarHBondContact O-CD2 3.33Å; D296-F300 PolarHBondContact O-N 3.22Å; F300-S302 PolarHBondContact O-N 3.49Å |
| 301 | K | 98.6 | Very high | 98.8 | Very high | 73 Ų | 73 | 14.7 Ų | 14.7 | 32% | 0.317 | 8% | 0.079 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.6 | 43.9 | -178 | -58.7 | -172.1 | -64.7 | -178.7 | 0 | 111.6 | L47 D53 P297 I299 | L47-K301 HydrophobicContact CD2-CG 4.47Å; D53-K301 WeakPolarHBondContact OD1-CE 3.44Å; D53-K301 IonicContact OD1-NZ 2.86Å; D53-K301 PolarHBondContact OD1-NZ 3.22Å; D53-K301 IonicContact OD2-NZ 3.25Å; D53-K301 PolarHBondContact OD2-NZ 3.1Å; P297-K301 WeakPolarHBondContact O-CA 3.23Å; P297-K301 PolarHBondContact O-N 2.57Å; I299-K301 VanDerWaalsContact C-N 3.25Å; I299-K301 PolarHBondContact O-N 2.9Å |
| 302 | S | 98.6 | Very high | 98.8 | Very high | 12 Ų | 12 | 19.3 Ų | 19.3 | 8% | 0.084 | 10% | 0.099 | C | C | . | . | trans | -120.4 | 166.2 | -171.3 | 60.4 | 0 | 0 | 0 | 0 | 111.9 | P297 F300 | P297-S302 WeakPolarHBondContact CA-OG 3.29Å; P297-S302 VanDerWaalsContact CB-O 3.27Å; P297-S302 WeakPolarHBondContact CB-O 3.27Å; P297-S302 PolarHBondContact O-N 3.32Å; F300-S302 PolarHBondContact O-N 3.49Å | ||
| 303 | T | 98.8 | Very high | 98.8 | Very high | 63 Ų | 63 | 27.7 Ų | 27.7 | 39% | 0.387 | 13% | 0.131 | S | C | . | . | trans | -129.3 | 174.2 | 160.6 | 62.6 | 0 | 0 | 0 | 0 | 106.6 | T294 D305 T306 | T294-T303 VanDerWaalsContact CG2-C 3.43Å; T303-D305 PolarHBondContact O-N 3.47Å; T303-D305 VanDerWaalsContact O-N 3.12Å; T303-D305 PolarHBondContact OG1-N 3.4Å; T303-T306 PolarHBondContact N-OG1 2.9Å; T303-T306 WeakPolarHBondContact O-CB 3.48Å; T303-T306 PolarHBondContact O-N 3.09Å; T303-T306 PolarHBondContact O-OG1 2.87Å | ||
| 304 | L | 98.7 | Very high | 98.7 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.7 | -25.6 | 177.4 | -162.4 | 61.6 | 0 | 0 | 0 | 112.2 | K11 E93 V95 T294 T306 D307 Y308 | K11-L304 HydrophobicContact CB-CD2 3.9Å; K11-L304 HydrophobicContact CD-CD2 3.56Å; K11-L304 HydrophobicContact CD-CG 4.19Å; K11-L304 HydrophobicContact CG-CD2 4.31Å; E93-L304 HydrophobicContact CB-CB 4.5Å; E93-L304 WeakPolarHBondContact OE2-CB 3.34Å; E93-L304 PolarHBondContact OE2-N 3.34Å; V95-L304 HydrophobicContact CG2-CD2 3.87Å; T294-L304 VanDerWaalsContact CG2-CA 3.43Å; T294-L304 HydrophobicContact CG2-CB 3.86Å; T294-L304 HydrophobicContact CG2-CD1 3.86Å; T294-L304 HydrophobicContact CG2-CG 4.48Å; L304-T306 PolarHBondContact O-N 3.43Å; L304-D307 PolarHBondContact O-N 3.39Å; L304-Y308 HydrophobicContact CD1-CD2 4.35Å; L304-Y308 HydrophobicContact CD1-CE2 3.97Å; L304-Y308 HydrophobicContact CD2-CE2 4.06Å; L304-Y308 HydrophobicContact CG-CD2 3.93Å; L304-Y308 HydrophobicContact CG-CE2 3.62Å; L304-Y308 WeakPolarHBondContact O-CD2 3.46Å; L304-Y308 PolarHBondContact O-N 3.24Å; L304-Y308 VanDerWaalsContact O-N 3.15Å |
| 305 | D | 98.8 | Very high | 98.7 | Very high | 39 Ų | 39 | 33.1 Ų | 33.1 | 21% | 0.209 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.6 | -27.6 | 172.4 | -163.6 | 58.7 | 0 | 0 | 0 | 112.2 | P5 A6 T303 D307 Y308 Q309 | P5-D305 WeakPolarHBondContact CA-OD1 3.38Å; A6-D305 PolarHBondContact N-OD1 2.99Å; T303-D305 PolarHBondContact O-N 3.47Å; T303-D305 VanDerWaalsContact O-N 3.12Å; T303-D305 PolarHBondContact OG1-N 3.4Å; D305-D307 PolarHBondContact O-N 3.36Å; D305-Y308 PolarHBondContact O-N 2.8Å; D305-Q309 WeakPolarHBondContact O-CB 3.4Å; D305-Q309 WeakPolarHBondContact O-CG 3.4Å; D305-Q309 PolarHBondContact O-N 3.03Å; D305-Q309 WeakPolarHBondContact OD2-CG 3.5Å; D305-Q309 PolarHBondContact OD2-NE2 2.91Å |
| 306 | T | 98.8 | Very high | 98.7 | Very high | 42 Ų | 42 | 35.3 Ų | 35.3 | 26% | 0.258 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -57.5 | -49.8 | 174.6 | -56.5 | 0 | 0 | 0 | 0 | 110.7 | W264 T303 L304 Q309 M310 | W264-T306 HydrophobicContact CB-CG2 4.02Å; W264-T306 HydrophobicContact CD2-CG2 3.94Å; W264-T306 HydrophobicContact CG-CG2 3.65Å; T303-T306 PolarHBondContact N-OG1 2.9Å; T303-T306 WeakPolarHBondContact O-CB 3.48Å; T303-T306 PolarHBondContact O-N 3.09Å; T303-T306 PolarHBondContact O-OG1 2.87Å; L304-T306 PolarHBondContact O-N 3.43Å; T306-Q309 PolarHBondContact O-N 2.88Å; T306-M310 WeakPolarHBondContact O-CB 3.19Å; T306-M310 PolarHBondContact O-N 3.01Å |
| 307 | D | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -69 | -40.8 | -179.3 | -62.4 | -80.8 | 0 | 0 | 0 | 112.4 | P263 W264 L304 D305 M310 T311 | P263-D307 VanDerWaalsContact CD-OD1 3.28Å; P263-D307 WeakPolarHBondContact CD-OD1 3.19Å; P263-D307 HydrophobicContact CG-CB 4.2Å; W264-D307 VanDerWaalsContact CB-OD1 3.29Å; W264-D307 WeakPolarHBondContact CB-OD1 3.46Å; W264-D307 PolarHBondContact N-OD1 2.92Å; L304-D307 PolarHBondContact O-N 3.39Å; D305-D307 PolarHBondContact O-N 3.36Å; D307-M310 PolarHBondContact O-N 2.8Å; D307-T311 WeakPolarHBondContact O-CB 3.48Å; D307-T311 WeakPolarHBondContact O-CG2 3.43Å; D307-T311 PolarHBondContact O-N 3.01Å; D307-T311 PolarHBondContact O-OG1 2.94Å |
| 308 | Y | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -67.8 | -38.4 | 176.2 | -81.4 | -110.4 | 0 | 0 | 0 | 111.9 | A6 F7 K11 L292 L304 D305 T311 K312 F322 N326 | A6-Y308 VanDerWaalsContact CB-C 3.46Å; A6-Y308 WeakPolarHBondContact CB-O 3.19Å; F7-Y308 HydrophobicContact CB-CD1 3.45Å; F7-Y308 VanDerWaalsContact CB-CD1 3.45Å; F7-Y308 HydrophobicContact CB-CE1 3.86Å; F7-Y308 HydrophobicContact CB-CG 4.42Å; F7-Y308 HydrophobicContact CD1-CD1 4.04Å; F7-Y308 AromaticContact CD1-CE1 3.5Å; F7-Y308 HydrophobicContact CD1-CE1 3.5Å; F7-Y308 VanDerWaalsContact CD1-CE1 3.5Å; F7-Y308 HydrophobicContact CE1-CE1 4.3Å; F7-Y308 HydrophobicContact CG-CD1 4.07Å; F7-Y308 AromaticContact CG-CE1 3.95Å; F7-Y308 HydrophobicContact CG-CE1 3.95Å; K11-Y308 HydrophobicContact CD-CE1 4.49Å; K11-Y308 HydrophobicContact CD-CE2 4.12Å; L292-Y308 HydrophobicContact CB-CD2 4.4Å; L292-Y308 HydrophobicContact CB-CE2 3.89Å; L292-Y308 HydrophobicContact CD1-CD1 4.45Å; L292-Y308 HydrophobicContact CD1-CD2 4.11Å; L292-Y308 HydrophobicContact CD1-CE1 4.45Å; L292-Y308 HydrophobicContact CD1-CE2 4.11Å; L292-Y308 HydrophobicContact CD1-CG 4.32Å; L304-Y308 HydrophobicContact CD1-CD2 4.35Å; L304-Y308 HydrophobicContact CD1-CE2 3.97Å; L304-Y308 HydrophobicContact CD2-CE2 4.06Å; L304-Y308 HydrophobicContact CG-CD2 3.93Å; L304-Y308 HydrophobicContact CG-CE2 3.62Å; L304-Y308 WeakPolarHBondContact O-CD2 3.46Å; L304-Y308 PolarHBondContact O-N 3.24Å; L304-Y308 VanDerWaalsContact O-N 3.15Å; D305-Y308 PolarHBondContact O-N 2.8Å; Y308-T311 WeakPolarHBondContact CA-OG1 3.44Å; Y308-T311 PolarHBondContact O-OG1 2.82Å; Y308-K312 WeakPolarHBondContact O-CB 3.47Å; Y308-K312 PolarHBondContact O-N 3.14Å; Y308-F322 HydrophobicContact CD1-CB 4.47Å; Y308-F322 AromaticContact CD1-CD1 3.33Å; Y308-F322 HydrophobicContact CD1-CD1 3.33Å; Y308-F322 HydrophobicContact CD1-CD2 4.15Å; Y308-F322 AromaticContact CD1-CE1 3.4Å; Y308-F322 HydrophobicContact CD1-CE1 3.4Å; Y308-F322 VanDerWaalsContact CD1-CE1 3.4Å; Y308-F322 HydrophobicContact CD1-CE2 4.2Å; Y308-F322 AromaticContact CD1-CG 3.75Å; Y308-F322 HydrophobicContact CD1-CG 3.75Å; Y308-F322 AromaticContact CD1-CZ 3.86Å; Y308-F322 HydrophobicContact CD1-CZ 3.86Å; Y308-F322 HydrophobicContact CE1-CB 4.06Å; Y308-F322 AromaticContact CE1-CD1 3.41Å; Y308-F322 HydrophobicContact CE1-CD1 3.41Å; Y308-F322 VanDerWaalsContact CE1-CD1 3.41Å; Y308-F322 AromaticContact CE1-CE1 3.96Å; Y308-F322 HydrophobicContact CE1-CE1 3.96Å; Y308-F322 AromaticContact CE1-CG 3.79Å; Y308-F322 HydrophobicContact CE1-CG 3.79Å; Y308-F322 HydrophobicContact CG-CD1 4.36Å; Y308-F322 HydrophobicContact CG-CE1 4.06Å; Y308-F322 HydrophobicContact CG-CZ 4.44Å; Y308-F322 WeakPolarHBondContact O-CZ 3.5Å; Y308-N326 PolarHBondContact OH-ND2 2.71Å; Y308-N326 PolarHBondContact OH-OD1 3.12Å |
| 309 | Q | 98.8 | Very high | 98.7 | Very high | 30 Ų | 30 | 41.5 Ų | 41.5 | 14% | 0.14 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.9 | -43.7 | 175.5 | -68.7 | -77.6 | -2.1 | 0 | 0 | 111.2 | T4 A6 D305 T306 K312 R313 | T4-Q309 PolarHBondContact O-NE2 3.29Å; A6-Q309 HydrophobicContact CB-CB 4.35Å; A6-Q309 HydrophobicContact CB-CG 3.79Å; D305-Q309 WeakPolarHBondContact O-CB 3.4Å; D305-Q309 WeakPolarHBondContact O-CG 3.4Å; D305-Q309 PolarHBondContact O-N 3.03Å; D305-Q309 WeakPolarHBondContact OD2-CG 3.5Å; D305-Q309 PolarHBondContact OD2-NE2 2.91Å; T306-Q309 PolarHBondContact O-N 2.88Å; Q309-K312 PolarHBondContact O-N 3.34Å; Q309-R313 WeakPolarHBondContact O-CB 3.49Å; Q309-R313 PolarHBondContact O-N 3.49Å |
| 310 | M | 98.6 | Very high | 98.7 | Very high | 15 Ų | 15 | 47.6 Ų | 47.6 | 7% | 0.074 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.7 | -49.1 | 178.9 | -171.4 | 170.6 | 72.9 | 0 | 0 | 111 | P263 W264 T306 D307 K312 R313 D314 M315 | P263-M310 HydrophobicContact CB-CE 3.16Å; P263-M310 WeakPolarHBondContact O-CE 3.24Å; W264-M310 HydrophobicContact CE3-SD 3.93Å; T306-M310 WeakPolarHBondContact O-CB 3.19Å; T306-M310 PolarHBondContact O-N 3.01Å; D307-M310 PolarHBondContact O-N 2.8Å; M310-K312 PolarHBondContact O-N 2.97Å; M310-R313 PolarHBondContact O-N 2.96Å; M310-D314 WeakPolarHBondContact O-CB 3.48Å; M310-D314 PolarHBondContact O-N 3.31Å; M310-M315 HydrophobicContact CE-CE 3.99Å; M310-M315 HydrophobicContact CG-CE 4.29Å |
| 311 | T | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.5 | -36.4 | 179.1 | 52.3 | 0 | 0 | 0 | 0 | 112.6 | P263 V280 L292 D307 Y308 M315 G316 F317 | P263-T311 HydrophobicContact CB-CG2 4.21Å; P263-T311 HydrophobicContact CG-CG2 3.83Å; V280-T311 HydrophobicContact CG1-CG2 4.42Å; L292-T311 HydrophobicContact CD1-CG2 4.26Å; L292-T311 HydrophobicContact CD2-CG2 4.19Å; D307-T311 WeakPolarHBondContact O-CB 3.48Å; D307-T311 WeakPolarHBondContact O-CG2 3.43Å; D307-T311 PolarHBondContact O-N 3.01Å; D307-T311 PolarHBondContact O-OG1 2.94Å; Y308-T311 WeakPolarHBondContact CA-OG1 3.44Å; Y308-T311 PolarHBondContact O-OG1 2.82Å; T311-M315 HydrophobicContact CG2-SD 3.88Å; T311-M315 CarbonylContact O-C 3.49Å; T311-M315 VanDerWaalsContact O-C 3.3Å; T311-M315 WeakPolarHBondContact O-CA 3.2Å; T311-M315 VanDerWaalsContact O-CB 3.26Å; T311-M315 WeakPolarHBondContact O-CB 3.41Å; T311-M315 PolarHBondContact O-N 2.92Å; T311-G316 PolarHBondContact O-N 3.05Å; T311-F317 HydrophobicContact CG2-CD2 4.49Å; T311-F317 HydrophobicContact CG2-CE2 4.33Å; T311-F317 HydrophobicContact CG2-CZ 4.39Å; T311-F317 WeakPolarHBondContact O-CD2 3.22Å; T311-F317 PolarHBondContact O-N 3.34Å; T311-F317 VanDerWaalsContact O-N 3.11Å |
| 312 | K | 98.8 | Very high | 98.7 | Very high | 97 Ų | 97 | 44.7 Ų | 44.7 | 42% | 0.422 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -66.3 | -52.1 | 174.4 | -176.1 | 176.6 | -175.8 | 174.2 | 0 | 112.3 | A6 Y308 Q309 M310 F322 | A6-K312 HydrophobicContact CB-CB 4.29Å; A6-K312 HydrophobicContact CB-CD 3.75Å; A6-K312 PolarHBondContact O-NZ 2.99Å; Y308-K312 WeakPolarHBondContact O-CB 3.47Å; Y308-K312 PolarHBondContact O-N 3.14Å; Q309-K312 PolarHBondContact O-N 3.34Å; M310-K312 PolarHBondContact O-N 2.97Å; K312-F322 HydrophobicContact CB-CE2 4.17Å; K312-F322 HydrophobicContact CB-CZ 3.97Å; K312-F322 HydrophobicContact CD-CE2 4.45Å |
| 313 | R | 98.3 | Very high | 98.7 | Very high | 177 Ų | 177 | 45.8 Ų | 45.8 | 67% | 0.668 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -71.2 | -46.8 | -172.1 | -174.7 | -171.1 | 68.9 | -158 | -6 | 111.9 | Q309 M310 | Q309-R313 WeakPolarHBondContact O-CB 3.49Å; Q309-R313 PolarHBondContact O-N 3.49Å; M310-R313 PolarHBondContact O-N 2.96Å |
| 314 | D | 98.4 | Very high | 98.7 | Very high | 91 Ų | 91 | 45 Ų | 45 | 49% | 0.487 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -103 | -20.6 | -167.2 | -55.7 | -30.3 | 0 | 0 | 0 | 112.7 | M310 | M310-D314 WeakPolarHBondContact O-CB 3.48Å; M310-D314 PolarHBondContact O-N 3.31Å |
| 315 | M | 98.6 | Very high | 98.7 | Very high | 22 Ų | 22 | 45 Ų | 45 | 11% | 0.108 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -120.7 | 3 | -172.2 | -52.3 | 176.8 | -168.6 | 0 | 0 | 113.3 | W272 H278 V280 V281 K284 M310 T311 F317 | W272-M315 HydrophobicContact CH2-CE 4.4Å; H278-M315 HydrophobicContact CB-CE 3.74Å; H278-M315 HydrophobicContact CB-SD 4.11Å; V280-M315 HydrophobicContact CG1-SD 3.52Å; V280-M315 VanDerWaalsContact CG1-SD 3.52Å; V281-M315 HydrophobicContact CG2-CB 3.92Å; V281-M315 HydrophobicContact CG2-CG 4.01Å; V281-M315 HydrophobicContact CG2-SD 4.2Å; K284-M315 WeakPolarHBondContact CE-O 3.37Å; M310-M315 HydrophobicContact CE-CE 3.99Å; M310-M315 HydrophobicContact CG-CE 4.29Å; T311-M315 HydrophobicContact CG2-SD 3.88Å; T311-M315 CarbonylContact O-C 3.49Å; T311-M315 VanDerWaalsContact O-C 3.3Å; T311-M315 WeakPolarHBondContact O-CA 3.2Å; T311-M315 VanDerWaalsContact O-CB 3.26Å; T311-M315 WeakPolarHBondContact O-CB 3.41Å; T311-M315 PolarHBondContact O-N 2.92Å; M315-F317 HydrophobicContact CB-CD2 3.97Å; M315-F317 HydrophobicContact CB-CE2 4.09Å; M315-F317 PolarHBondContact O-N 3.12Å |
| 316 | G | 98.3 | Very high | 98.7 | Very high | 50 Ų | 50 | 43.1 Ų | 43.1 | 52% | 0.515 | 21% | 0.214 | S | C | . | . | trans | 67 | 31.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | T311 | T311-G316 PolarHBondContact O-N 3.05Š| ||
| 317 | F | 98.8 | Very high | 98.7 | Very high | 7 Ų | 7 | 41.7 Ų | 41.7 | 3% | 0.031 | 21% | 0.205 | C | C | . | . | trans | -67.4 | 139.5 | 172.9 | -83.4 | -127.2 | 0 | 0 | 0 | 111.1 | V280 K284 Y290 L292 T311 M315 E321 F322 L325 | V280-F317 HydrophobicContact CG1-CE2 4.24Å; V280-F317 HydrophobicContact CG1-CZ 4.17Å; V280-F317 HydrophobicContact CG2-CZ 3.83Å; K284-F317 HydrophobicContact CB-CE2 4.2Å; K284-F317 HydrophobicContact CB-CZ 4.02Å; K284-F317 HydrophobicContact CD-CD2 3.68Å; K284-F317 HydrophobicContact CD-CE1 4.48Å; K284-F317 HydrophobicContact CD-CE2 3.59Å; K284-F317 HydrophobicContact CD-CG 4.16Å; K284-F317 HydrophobicContact CD-CZ 4Å; K284-F317 HydrophobicContact CG-CE2 4.44Å; K284-F317 HydrophobicContact CG-CZ 4.46Å; Y290-F317 AromaticContact CE2-CE1 3.99Å; Y290-F317 HydrophobicContact CE2-CE1 3.99Å; Y290-F317 HydrophobicContact CE2-CZ 4.2Å; Y290-F317 AromaticContact CZ-CE1 3.92Å; Y290-F317 WeakPolarHBondContact OH-CE1 3.39Å; Y290-F317 VanDerWaalsContact OH-CZ 3.25Å; Y290-F317 WeakPolarHBondContact OH-CZ 3Å; L292-F317 HydrophobicContact CD1-CE1 4.38Å; T311-F317 HydrophobicContact CG2-CD2 4.49Å; T311-F317 HydrophobicContact CG2-CE2 4.33Å; T311-F317 HydrophobicContact CG2-CZ 4.39Å; T311-F317 WeakPolarHBondContact O-CD2 3.22Å; T311-F317 PolarHBondContact O-N 3.34Å; T311-F317 VanDerWaalsContact O-N 3.11Å; M315-F317 HydrophobicContact CB-CD2 3.97Å; M315-F317 HydrophobicContact CB-CE2 4.09Å; M315-F317 PolarHBondContact O-N 3.12Å; F317-E321 HydrophobicContact CD1-CB 4.46Å; F317-E321 HydrophobicContact CD1-CG 3.84Å; F317-E321 HydrophobicContact CE1-CG 3.97Å; F317-F322 HydrophobicContact CB-CD1 4.49Å; F317-F322 HydrophobicContact CB-CE1 3.71Å; F317-F322 HydrophobicContact CB-CE2 4.15Å; F317-F322 HydrophobicContact CB-CZ 3.5Å; F317-F322 HydrophobicContact CD1-CD1 4.01Å; F317-F322 AromaticContact CD1-CE1 3.57Å; F317-F322 HydrophobicContact CD1-CE1 3.57Å; F317-F322 HydrophobicContact CD1-CZ 4.27Å; F317-F322 HydrophobicContact CG-CE1 4.05Å; F317-F322 HydrophobicContact CG-CZ 4.31Å; F317-L325 HydrophobicContact CD1-CD2 4.16Å; F317-L325 HydrophobicContact CE1-CD2 3.88Å | ||
| 318 | T | 98.8 | Very high | 98.7 | Very high | 69 Ų | 69 | 42.9 Ų | 42.9 | 42% | 0.423 | 21% | 0.211 | S | C | . | . | trans | -108.3 | 168.5 | 178 | 78.1 | 0 | 0 | 0 | 0 | 111 | E320 E321 F322 | T318-E320 WeakPolarHBondContact CB-OE2 3.49Å; T318-E320 PolarHBondContact O-N 3.18Å; T318-E320 PolarHBondContact OG1-N 3.23Å; T318-E320 PolarHBondContact OG1-OE2 2.71Å; T318-E321 PolarHBondContact O-N 3.37Å; T318-E321 PolarHBondContact OG1-N 3.22Å; T318-F322 WeakPolarHBondContact O-CD2 3.42Å; T318-F322 WeakPolarHBondContact O-CG 3.08Å; T318-F322 PolarHBondContact O-N 3.04Å | ||
| 319 | E | 98.6 | Very high | 98.7 | Very high | 82 Ų | 82 | 42.9 Ų | 42.9 | 38% | 0.383 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -58.7 | -37 | 174.3 | -172.6 | -178.3 | 132.1 | 0 | 0 | 111.8 | F7 K9 F322 K323 | F7-E319 HydrophobicContact CD2-CG 4.11Å; F7-E319 HydrophobicContact CE2-CG 3.84Å; K9-E319 VanDerWaalsContact CE-CD 3.44Å; K9-E319 WeakPolarHBondContact CE-OE1 3.46Å; K9-E319 IonicContact NZ-OE1 3.79Å; E319-F322 PolarHBondContact O-N 2.98Å; E319-K323 WeakPolarHBondContact O-CG 3.44Å; E319-K323 PolarHBondContact O-N 3.18Å; E319-K323 WeakPolarHBondContact OE1-CE 3.41Å; E319-K323 IonicContact OE1-NZ 2.72Å; E319-K323 PolarHBondContact OE1-NZ 3.16Å |
| 320 | E | 98.6 | Very high | 98.7 | Very high | 128 Ų | 128 | 41.4 Ų | 41.4 | 60% | 0.598 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -63 | -43.6 | 178.2 | -62.9 | 73.2 | -164.1 | 0 | 0 | 111.5 | T318 K323 R324 | T318-E320 WeakPolarHBondContact CB-OE2 3.49Å; T318-E320 PolarHBondContact O-N 3.18Å; T318-E320 PolarHBondContact OG1-N 3.23Å; T318-E320 PolarHBondContact OG1-OE2 2.71Å; E320-K323 PolarHBondContact O-N 3.3Å; E320-R324 WeakPolarHBondContact O-CB 3.44Å; E320-R324 PolarHBondContact O-N 3.18Å |
| 321 | E | 98.8 | Very high | 98.7 | Very high | 13 Ų | 13 | 44.6 Ų | 44.6 | 6% | 0.061 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.4 | -40.5 | 175.7 | -174.9 | 60.8 | -165.4 | 0 | 0 | 111.1 | K284 Q287 Y290 F317 T318 K323 R324 L325 | K284-E321 HydrophobicContact CD-CG 4.04Å; K284-E321 HydrophobicContact CG-CG 3.92Å; Q287-E321 PolarHBondContact NE2-OE2 3.19Å; Y290-E321 WeakPolarHBondContact CE1-OE1 3.04Å; Y290-E321 WeakPolarHBondContact OH-CG 3.33Å; Y290-E321 PolarHBondContact OH-OE1 3.04Å; F317-E321 HydrophobicContact CD1-CB 4.46Å; F317-E321 HydrophobicContact CD1-CG 3.84Å; F317-E321 HydrophobicContact CE1-CG 3.97Å; T318-E321 PolarHBondContact O-N 3.37Å; T318-E321 PolarHBondContact OG1-N 3.22Å; E321-K323 VanDerWaalsContact C-N 3.34Å; E321-K323 PolarHBondContact O-N 3.01Å; E321-R324 PolarHBondContact O-N 3.07Å; E321-R324 IonicContact OE1-CZ 2.71Å; E321-R324 IonicContact OE1-NE 3.32Å; E321-R324 PolarHBondContact OE1-NE 2.67Å; E321-R324 IonicContact OE1-NH2 3.91Å; E321-R324 PolarHBondContact OE1-NH2 2.91Å; E321-R324 IonicContact OE2-CZ 2.73Å; E321-R324 IonicContact OE2-NE 2.72Å; E321-R324 PolarHBondContact OE2-NE 2.71Å; E321-R324 IonicContact OE2-NH2 3.59Å; E321-L325 WeakPolarHBondContact O-CG 3.2Å; E321-L325 PolarHBondContact O-N 3.38Å |
| 322 | F | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 0% | 0.004 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60 | -41.3 | 173.7 | -68.2 | -43.5 | 0 | 0 | 0 | 112.4 | F7 L292 Y308 K312 F317 T318 E319 L325 N326 | F7-F322 HydrophobicContact CB-CB 4.44Å; F7-F322 HydrophobicContact CB-CD2 3.83Å; F7-F322 HydrophobicContact CB-CE2 4.31Å; F7-F322 HydrophobicContact CB-CG 4.18Å; F7-F322 HydrophobicContact CD1-CB 4.08Å; F7-F322 HydrophobicContact CD2-CB 3.61Å; F7-F322 AromaticContact CD2-CD2 3.95Å; F7-F322 HydrophobicContact CD2-CD2 3.95Å; F7-F322 HydrophobicContact CD2-CG 4.14Å; F7-F322 HydrophobicContact CE1-CB 4.15Å; F7-F322 HydrophobicContact CE2-CB 3.69Å; F7-F322 HydrophobicContact CG-CB 3.8Å; F7-F322 HydrophobicContact CG-CD2 4.05Å; F7-F322 HydrophobicContact CG-CG 4.09Å; F7-F322 HydrophobicContact CZ-CB 3.95Å; L292-F322 HydrophobicContact CD1-CD1 4.15Å; L292-F322 HydrophobicContact CD1-CE1 3.82Å; Y308-F322 HydrophobicContact CD1-CB 4.47Å; Y308-F322 AromaticContact CD1-CD1 3.33Å; Y308-F322 HydrophobicContact CD1-CD1 3.33Å; Y308-F322 HydrophobicContact CD1-CD2 4.15Å; Y308-F322 AromaticContact CD1-CE1 3.4Å; Y308-F322 HydrophobicContact CD1-CE1 3.4Å; Y308-F322 VanDerWaalsContact CD1-CE1 3.4Å; Y308-F322 HydrophobicContact CD1-CE2 4.2Å; Y308-F322 AromaticContact CD1-CG 3.75Å; Y308-F322 HydrophobicContact CD1-CG 3.75Å; Y308-F322 AromaticContact CD1-CZ 3.86Å; Y308-F322 HydrophobicContact CD1-CZ 3.86Å; Y308-F322 HydrophobicContact CE1-CB 4.06Å; Y308-F322 AromaticContact CE1-CD1 3.41Å; Y308-F322 HydrophobicContact CE1-CD1 3.41Å; Y308-F322 VanDerWaalsContact CE1-CD1 3.41Å; Y308-F322 AromaticContact CE1-CE1 3.96Å; Y308-F322 HydrophobicContact CE1-CE1 3.96Å; Y308-F322 AromaticContact CE1-CG 3.79Å; Y308-F322 HydrophobicContact CE1-CG 3.79Å; Y308-F322 HydrophobicContact CG-CD1 4.36Å; Y308-F322 HydrophobicContact CG-CE1 4.06Å; Y308-F322 HydrophobicContact CG-CZ 4.44Å; Y308-F322 WeakPolarHBondContact O-CZ 3.5Å; K312-F322 HydrophobicContact CB-CE2 4.17Å; K312-F322 HydrophobicContact CB-CZ 3.97Å; K312-F322 HydrophobicContact CD-CE2 4.45Å; F317-F322 HydrophobicContact CB-CD1 4.49Å; F317-F322 HydrophobicContact CB-CE1 3.71Å; F317-F322 HydrophobicContact CB-CE2 4.15Å; F317-F322 HydrophobicContact CB-CZ 3.5Å; F317-F322 HydrophobicContact CD1-CD1 4.01Å; F317-F322 AromaticContact CD1-CE1 3.57Å; F317-F322 HydrophobicContact CD1-CE1 3.57Å; F317-F322 HydrophobicContact CD1-CZ 4.27Å; F317-F322 HydrophobicContact CG-CE1 4.05Å; F317-F322 HydrophobicContact CG-CZ 4.31Å; T318-F322 WeakPolarHBondContact O-CD2 3.42Å; T318-F322 WeakPolarHBondContact O-CG 3.08Å; T318-F322 PolarHBondContact O-N 3.04Å; E319-F322 PolarHBondContact O-N 2.98Å; F322-L325 HydrophobicContact CD1-CD2 3.97Å; F322-L325 WeakPolarHBondContact O-CG 3.49Å; F322-N326 PolarHBondContact O-N 3.18Å; F322-N326 PolarHBondContact O-ND2 2.73Å |
| 323 | K | 98.9 | Very high | 98.7 | Very high | 36 Ų | 36 | 41 Ų | 41 | 16% | 0.157 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.7 | -47.2 | 173.4 | -71.3 | 173 | 178.8 | 168.5 | 0 | 111.3 | F7 E319 E320 E321 N326 I327 Y351 | F7-K323 HydrophobicContact CE2-CG 4.12Å; F7-K323 HydrophobicContact CZ-CG 4.06Å; E319-K323 WeakPolarHBondContact O-CG 3.44Å; E319-K323 PolarHBondContact O-N 3.18Å; E319-K323 WeakPolarHBondContact OE1-CE 3.41Å; E319-K323 IonicContact OE1-NZ 2.72Å; E319-K323 PolarHBondContact OE1-NZ 3.16Å; E320-K323 PolarHBondContact O-N 3.3Å; E321-K323 VanDerWaalsContact C-N 3.34Å; E321-K323 PolarHBondContact O-N 3.01Å; K323-N326 PolarHBondContact O-N 3.34Å; K323-I327 WeakPolarHBondContact O-CD1 3.32Å; K323-I327 WeakPolarHBondContact O-CG1 3.5Å; K323-I327 PolarHBondContact O-N 3.47Å; K323-Y351 HydrophobicContact CB-CD2 3.75Å; K323-Y351 HydrophobicContact CB-CE2 3.84Å; K323-Y351 HydrophobicContact CB-CG 4.3Å; K323-Y351 HydrophobicContact CD-CD1 4.46Å; K323-Y351 HydrophobicContact CD-CD2 4.27Å; K323-Y351 HydrophobicContact CD-CG 3.99Å; K323-Y351 HydrophobicContact CG-CD1 3.98Å; K323-Y351 HydrophobicContact CG-CD2 3.66Å; K323-Y351 HydrophobicContact CG-CE1 4.2Å; K323-Y351 HydrophobicContact CG-CE2 3.9Å; K323-Y351 HydrophobicContact CG-CG 3.69Å |
| 324 | R | 98.9 | Very high | 98.8 | Very high | 45 Ų | 45 | 33 Ų | 33 | 17% | 0.17 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.7 | -49.8 | -178.3 | -169.7 | -167.9 | 76.3 | 85.2 | 7.6 | 111.8 | Q287 A288 E320 E321 N326 I327 N328 | Q287-R324 PolarHBondContact O-NH1 2.93Å; A288-R324 PolarHBondContact O-NH1 2.75Å; A288-R324 PolarHBondContact O-NH2 3.25Å; E320-R324 WeakPolarHBondContact O-CB 3.44Å; E320-R324 PolarHBondContact O-N 3.18Å; E321-R324 PolarHBondContact O-N 3.07Å; E321-R324 IonicContact OE1-CZ 2.71Å; E321-R324 IonicContact OE1-NE 3.32Å; E321-R324 PolarHBondContact OE1-NE 2.67Å; E321-R324 IonicContact OE1-NH2 3.91Å; E321-R324 PolarHBondContact OE1-NH2 2.91Å; E321-R324 IonicContact OE2-CZ 2.73Å; E321-R324 IonicContact OE2-NE 2.72Å; E321-R324 PolarHBondContact OE2-NE 2.71Å; E321-R324 IonicContact OE2-NH2 3.59Å; R324-N326 VanDerWaalsContact C-N 3.32Å; R324-N326 PolarHBondContact O-N 3.34Å; R324-I327 PolarHBondContact O-N 3.25Å; R324-N328 PolarHBondContact NH1-ND2 2.92Å; R324-N328 PolarHBondContact O-N 2.89Å |
| 325 | L | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -65.5 | -35.1 | -178.5 | 71.5 | 84.8 | 0 | 0 | 0 | 112.1 | Y290 L292 F317 E321 F322 N328 A329 | Y290-L325 HydrophobicContact CE2-CB 4.16Å; Y290-L325 HydrophobicContact CE2-CD2 3.88Å; L292-L325 HydrophobicContact CB-CD1 4.34Å; L292-L325 HydrophobicContact CD1-CD1 4.46Å; L292-L325 HydrophobicContact CD1-CD2 3.88Å; L292-L325 HydrophobicContact CG-CD1 4.05Å; L292-L325 HydrophobicContact CG-CD2 3.89Å; F317-L325 HydrophobicContact CD1-CD2 4.16Å; F317-L325 HydrophobicContact CE1-CD2 3.88Å; E321-L325 WeakPolarHBondContact O-CG 3.2Å; E321-L325 PolarHBondContact O-N 3.38Å; F322-L325 HydrophobicContact CD1-CD2 3.97Å; F322-L325 WeakPolarHBondContact O-CG 3.49Å; L325-N328 WeakPolarHBondContact O-CB 3.22Å; L325-N328 PolarHBondContact O-N 3.48Å; L325-A329 WeakPolarHBondContact O-CB 3.43Å; L325-A329 PolarHBondContact O-N 3.4Å |
| 326 | N | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -70.4 | -36.3 | 176 | -81.3 | -75 | 0 | 0 | 0 | 112.5 | K11 V12 Y308 F322 K323 R324 N328 A329 A330 Y351 | K11-N326 VanDerWaalsContact CA-OD1 3.3Å; K11-N326 WeakPolarHBondContact CA-OD1 3.2Å; V12-N326 PolarHBondContact N-OD1 3.31Å; Y308-N326 PolarHBondContact OH-ND2 2.71Å; Y308-N326 PolarHBondContact OH-OD1 3.12Å; F322-N326 PolarHBondContact O-N 3.18Å; F322-N326 PolarHBondContact O-ND2 2.73Å; K323-N326 PolarHBondContact O-N 3.34Å; R324-N326 VanDerWaalsContact C-N 3.32Å; R324-N326 PolarHBondContact O-N 3.34Å; N326-N328 VanDerWaalsContact C-N 3.34Å; N326-A329 PolarHBondContact O-N 2.98Å; N326-A330 PolarHBondContact O-N 3.38Å; N326-Y351 HydrophobicContact CB-CE2 4.38Å; N326-Y351 VanDerWaalsContact CB-OH 3.23Å; N326-Y351 WeakPolarHBondContact CB-OH 3.47Å |
| 327 | I | 98.9 | Very high | 98.8 | Very high | 12 Ų | 12 | 33.7 Ų | 33.7 | 6% | 0.062 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.3 | -41.6 | 172 | -71.8 | 159.3 | 0 | 0 | 0 | 110.5 | K323 R324 A330 K331 L344 Y348 Y351 M353 | K323-I327 WeakPolarHBondContact O-CD1 3.32Å; K323-I327 WeakPolarHBondContact O-CG1 3.5Å; K323-I327 PolarHBondContact O-N 3.47Å; R324-I327 PolarHBondContact O-N 3.25Å; I327-A330 PolarHBondContact O-N 3.3Å; I327-K331 HydrophobicContact CG2-CD 4.28Å; I327-K331 WeakPolarHBondContact O-CG 3.38Å; I327-K331 PolarHBondContact O-N 3.06Å; I327-L344 HydrophobicContact CG2-CD2 3.95Å; I327-Y348 HydrophobicContact CD1-CD1 4.11Å; I327-Y348 HydrophobicContact CD1-CE1 3.68Å; I327-Y348 HydrophobicContact CG1-CE1 4.08Å; I327-Y348 HydrophobicContact CG2-CE1 4.28Å; I327-Y351 HydrophobicContact CD1-CD2 4.11Å; I327-Y351 HydrophobicContact CD1-CE2 4.34Å; I327-Y351 HydrophobicContact CG1-CD2 4.37Å; I327-Y351 HydrophobicContact CG1-CE2 4.2Å; I327-M353 HydrophobicContact CD1-CE 3.98Å; I327-M353 HydrophobicContact CD1-SD 3.67Å |
| 328 | N | 98.9 | Very high | 98.7 | Very high | 25 Ų | 25 | 37.5 Ų | 37.5 | 13% | 0.134 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.3 | -40.2 | 175.5 | -81.4 | -8 | 0 | 0 | 0 | 112.4 | N289 R324 L325 N326 K331 S332 | N289-N328 WeakPolarHBondContact OD1-CB 3.45Å; R324-N328 PolarHBondContact NH1-ND2 2.92Å; R324-N328 PolarHBondContact O-N 2.89Å; L325-N328 WeakPolarHBondContact O-CB 3.22Å; L325-N328 PolarHBondContact O-N 3.48Å; N326-N328 VanDerWaalsContact C-N 3.34Å; N328-K331 PolarHBondContact O-N 3.32Å; N328-S332 WeakPolarHBondContact O-CB 3.26Å; N328-S332 PolarHBondContact O-N 3.14Å; N328-S332 PolarHBondContact O-OG 2.69Å |
| 329 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.4 | -44.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | V12 L14 L325 N326 K331 S332 S333 | V12-A329 HydrophobicContact CB-CB 3.87Å; V12-A329 HydrophobicContact CG1-CB 3.62Å; L14-A329 HydrophobicContact CD1-CB 3.92Å; L14-A329 HydrophobicContact CG-CB 4.29Å; L325-A329 WeakPolarHBondContact O-CB 3.43Å; L325-A329 PolarHBondContact O-N 3.4Å; N326-A329 PolarHBondContact O-N 2.98Å; A329-K331 PolarHBondContact O-N 3.3Å; A329-S332 CarbonylContact O-C 3.41Å; A329-S332 PolarHBondContact O-N 3.28Å; A329-S333 PolarHBondContact O-N 3.41Å |
| 330 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.9 | -45.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V12 N326 I327 S332 S333 K340 L343 L344 L347 | V12-A330 HydrophobicContact CG2-CB 4.36Å; N326-A330 PolarHBondContact O-N 3.38Å; I327-A330 PolarHBondContact O-N 3.3Å; A330-S332 VanDerWaalsContact C-N 3.26Å; A330-S332 PolarHBondContact O-N 3.03Å; A330-S333 WeakPolarHBondContact O-CB 3.36Å; A330-S333 PolarHBondContact O-N 2.68Å; A330-S333 VanDerWaalsContact O-N 3.17Å; A330-S333 PolarHBondContact O-OG 2.98Å; A330-K340 WeakPolarHBondContact O-CG 3.47Å; A330-L343 HydrophobicContact CB-CD2 3.67Å; A330-L343 HydrophobicContact CB-CG 3.86Å; A330-L344 HydrophobicContact CB-CD2 3.78Å; A330-L344 HydrophobicContact CB-CG 4.16Å; A330-L347 HydrophobicContact CB-CD1 3.7Å |
| 331 | K | 98.8 | Very high | 98.7 | Very high | 81 Ų | 81 | 34 Ų | 34 | 35% | 0.352 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -60.5 | -36.2 | 176.6 | -71.9 | 173.9 | 179.5 | -177.2 | 0 | 113 | I327 N328 A329 S333 K340 L344 | I327-K331 HydrophobicContact CG2-CD 4.28Å; I327-K331 WeakPolarHBondContact O-CG 3.38Å; I327-K331 PolarHBondContact O-N 3.06Å; N328-K331 PolarHBondContact O-N 3.32Å; A329-K331 PolarHBondContact O-N 3.3Å; K331-S333 VanDerWaalsContact C-N 3.34Å; K331-K340 WeakPolarHBondContact O-CD 3.18Å; K331-K340 WeakPolarHBondContact O-CE 3.34Å; K331-K340 PolarHBondContact O-NZ 3.21Å; K331-L344 HydrophobicContact CG-CD1 4.09Å; K331-L344 HydrophobicContact CG-CD2 4.03Å |
| 332 | S | 98.9 | Very high | 98.7 | Very high | 19 Ų | 19 | 39 Ų | 39 | 13% | 0.133 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 5.5 | -179.1 | -46.1 | 0 | 0 | 0 | 0 | 112.8 | R235 H258 N289 N328 A329 A330 | R235-S332 VanDerWaalsContact CD-O 3.24Å; R235-S332 WeakPolarHBondContact CD-O 3.16Å; R235-S332 PolarHBondContact NH1-O 2.89Å; H258-S332 VanDerWaalsContact CG-CB 3.49Å; H258-S332 VanDerWaalsContact ND1-CB 3.29Å; H258-S332 WeakPolarHBondContact ND1-CB 3.29Å; H258-S332 PolarHBondContact ND1-OG 2.83Å; N289-S332 PolarHBondContact ND2-OG 3.02Å; N289-S332 PolarHBondContact OD1-OG 3.45Å; N328-S332 WeakPolarHBondContact O-CB 3.26Å; N328-S332 PolarHBondContact O-N 3.14Å; N328-S332 PolarHBondContact O-OG 2.69Å; A329-S332 CarbonylContact O-C 3.41Å; A329-S332 PolarHBondContact O-N 3.28Å; A330-S332 VanDerWaalsContact C-N 3.26Å; A330-S332 PolarHBondContact O-N 3.03Å |
| 333 | S | 98.9 | Very high | 98.6 | Very high | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.014 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -64.7 | 153.1 | 171.7 | 64.9 | 0 | 0 | 0 | 0 | 110.5 | E99 A329 A330 K331 L335 K340 | E99-S333 WeakPolarHBondContact OE1-CA 3.23Å; A329-S333 PolarHBondContact O-N 3.41Å; A330-S333 WeakPolarHBondContact O-CB 3.36Å; A330-S333 PolarHBondContact O-N 2.68Å; A330-S333 VanDerWaalsContact O-N 3.17Å; A330-S333 PolarHBondContact O-OG 2.98Å; K331-S333 VanDerWaalsContact C-N 3.34Å; S333-L335 PolarHBondContact O-N 3.19Å; S333-K340 WeakPolarHBondContact O-CE 3.29Å; S333-K340 PolarHBondContact O-NZ 2.92Å; S333-K340 VanDerWaalsContact O-NZ 3.16Å; S333-K340 WeakPolarHBondContact OG-CE 3.3Å |
| 334 | F | 98.9 | Very high | 98.6 | Very high | 10 Ų | 10 | 38.8 Ų | 38.8 | 4% | 0.044 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -86.6 | 20.8 | 173.6 | -61.8 | -41.7 | 0 | 0 | 0 | 112.3 | E99 I151 V178 A179 H210 T212 E234 R235 | E99-F334 PolarHBondContact OE1-N 2.85Å; E99-F334 WeakPolarHBondContact OE2-CD2 3.17Å; I151-F334 HydrophobicContact CD1-CD2 4.22Å; I151-F334 HydrophobicContact CD1-CE2 4.31Å; V178-F334 HydrophobicContact CB-CB 3.81Å; V178-F334 HydrophobicContact CG2-CB 3.79Å; V178-F334 HydrophobicContact CG2-CD2 4.49Å; A179-F334 HydrophobicContact CB-CD2 3.33Å; A179-F334 HydrophobicContact CB-CE2 3.49Å; A179-F334 VanDerWaalsContact CB-CE2 3.49Å; A179-F334 HydrophobicContact CB-CG 4.14Å; A179-F334 HydrophobicContact CB-CZ 4.44Å; H210-F334 HydrophobicContact CB-CB 4Å; H210-F334 HydrophobicContact CB-CD1 3.35Å; H210-F334 HydrophobicContact CB-CD2 3.97Å; H210-F334 HydrophobicContact CB-CE1 3.64Å; H210-F334 HydrophobicContact CB-CE2 4.18Å; H210-F334 HydrophobicContact CB-CG 3.51Å; H210-F334 HydrophobicContact CB-CZ 4.02Å; H210-F334 AromaticContact CD2-CD1 3.82Å; H210-F334 AromaticContact CD2-CG 3.98Å; H210-F334 AromaticContact CG-CD1 3.33Å; H210-F334 AromaticContact CG-CE1 3.93Å; H210-F334 AromaticContact CG-CG 3.74Å; H210-F334 AromaticContact ND1-CD1 3.62Å; T212-F334 HydrophobicContact CG2-CE2 4.34Å; E234-F334 HydrophobicContact CB-CE1 4.06Å; E234-F334 HydrophobicContact CB-CZ 4.43Å; R235-F334 HydrophobicContact CB-CZ 4.42Å; R235-F334 HydrophobicContact CG-CE1 3.99Å; R235-F334 HydrophobicContact CG-CZ 3.69Å; R235-F334 VanDerWaalsContact CZ-CD2 3.49Å |
| 335 | L | 98.8 | Very high | 98.6 | Very high | 3 Ų | 3 | 40.5 Ų | 40.5 | 2% | 0.016 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -67.9 | 148 | 170.5 | -77 | 174 | 0 | 0 | 0 | 111.1 | Y97 K147 R149 S333 E339 K340 L343 | Y97-L335 HydrophobicContact CD2-CD1 3.95Å; Y97-L335 HydrophobicContact CD2-CG 4.44Å; Y97-L335 HydrophobicContact CE1-CD1 4.29Å; Y97-L335 HydrophobicContact CE1-CG 4.35Å; Y97-L335 HydrophobicContact CE2-CD1 3.63Å; Y97-L335 HydrophobicContact CE2-CD2 3.69Å; Y97-L335 HydrophobicContact CE2-CG 3.63Å; Y97-L335 HydrophobicContact CG-CD1 4.38Å; Y97-L335 WeakPolarHBondContact OH-CG 3.49Å; K147-L335 HydrophobicContact CD-CD1 4.14Å; K147-L335 HydrophobicContact CD-CD2 4.01Å; R149-L335 HydrophobicContact CG-CD2 3.91Å; S333-L335 PolarHBondContact O-N 3.19Å; L335-E339 HydrophobicContact CB-CB 4.14Å; L335-E339 HydrophobicContact CD1-CB 4.2Å; L335-E339 HydrophobicContact CD2-CB 4.01Å; L335-E339 HydrophobicContact CG-CB 4.34Å; L335-K340 HydrophobicContact CB-CB 4.23Å; L335-L343 HydrophobicContact CD1-CB 4.4Å; L335-L343 HydrophobicContact CD1-CD2 3.97Å |
| 336 | P | 98.3 | Very high | 98.6 | Very high | 65 Ų | 65 | 44.2 Ų | 44.2 | 42% | 0.422 | 22% | 0.216 | S | C | . | . | trans | -50.2 | 147.8 | 159.1 | -26.5 | 36.8 | 0 | 0 | 0 | 111.8 | D338 E339 K340 | P336-D338 VanDerWaalsContact C-N 3.27Å; P336-D338 VanDerWaalsContact CB-OD1 3.23Å; P336-D338 WeakPolarHBondContact CB-OD1 3.38Å; P336-D338 PolarHBondContact O-N 3.07Å; P336-E339 HydrophobicContact CB-CG 4.48Å; P336-E339 PolarHBondContact O-N 3.37Å; P336-E339 VanDerWaalsContact O-N 3.11Å; P336-K340 WeakPolarHBondContact O-CB 3.32Å; P336-K340 PolarHBondContact O-N 3.37Å | ||
| 337 | E | 97.9 | Very high | 98.5 | Very high | 110 Ų | 110 | 44.2 Ų | 44.2 | 51% | 0.514 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -62.5 | -29.4 | -170.7 | -74.9 | -60.3 | 130.8 | 0 | 0 | 114.3 | K340 R341 | E337-K340 IonicContact OE1-NZ 3.84Å; E337-K340 PolarHBondContact OE1-NZ 3.19Å; E337-R341 VanDerWaalsContact O-CG 3.32Å; E337-R341 WeakPolarHBondContact O-CG 3.32Å; E337-R341 PolarHBondContact O-N 3.23Å; E337-R341 VanDerWaalsContact O-N 3.08Å; E337-R341 PolarHBondContact O-NH1 2.93Å |
| 338 | D | 97.9 | Very high | 98.5 | Very high | 86 Ų | 86 | 44.8 Ų | 44.8 | 46% | 0.46 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -67.4 | -49.5 | 171.5 | 54.6 | -18.3 | 0 | 0 | 0 | 112.4 | P336 K340 R341 E342 | P336-D338 VanDerWaalsContact C-N 3.27Å; P336-D338 VanDerWaalsContact CB-OD1 3.23Å; P336-D338 WeakPolarHBondContact CB-OD1 3.38Å; P336-D338 PolarHBondContact O-N 3.07Å; D338-K340 VanDerWaalsContact C-N 3.27Å; D338-K340 PolarHBondContact O-N 3.3Å; D338-R341 VanDerWaalsContact CA-NH2 3.28Å; D338-R341 WeakPolarHBondContact O-CB 3.47Å; D338-R341 PolarHBondContact O-N 3.41Å; D338-R341 VanDerWaalsContact O-N 3.16Å; D338-E342 PolarHBondContact O-N 3.33Å |
| 339 | E | 98.3 | Very high | 98.5 | Very high | 40 Ų | 40 | 51.9 Ų | 51.9 | 19% | 0.187 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64 | -33.6 | 176.1 | -62.3 | -164.2 | -111.5 | 0 | 0 | 112.4 | K147 R149 L335 P336 E342 L343 | K147-E339 WeakPolarHBondContact CE-OE2 3.09Å; K147-E339 IonicContact NZ-OE2 2.73Å; K147-E339 PolarHBondContact NZ-OE2 3.42Å; R149-E339 IonicContact CZ-OE2 3.67Å; R149-E339 IonicContact NH2-OE1 3.39Å; R149-E339 IonicContact NH2-OE2 3.95Å; R149-E339 PolarHBondContact NH2-OE2 3.47Å; L335-E339 HydrophobicContact CB-CB 4.14Å; L335-E339 HydrophobicContact CD1-CB 4.2Å; L335-E339 HydrophobicContact CD2-CB 4.01Å; L335-E339 HydrophobicContact CG-CB 4.34Å; P336-E339 HydrophobicContact CB-CG 4.48Å; P336-E339 PolarHBondContact O-N 3.37Å; P336-E339 VanDerWaalsContact O-N 3.11Å; E339-E342 PolarHBondContact O-N 2.88Å; E339-L343 PolarHBondContact O-N 2.94Å |
| 340 | K | 98.6 | Very high | 98.4 | Very high | 22 Ų | 22 | 54 Ų | 54 | 10% | 0.096 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.6 | -41.1 | 173.7 | -171.1 | 178 | -69.9 | 172.1 | 0 | 111.6 | A330 K331 S333 L335 P336 E337 D338 L343 L344 | A330-K340 WeakPolarHBondContact O-CG 3.47Å; K331-K340 WeakPolarHBondContact O-CD 3.18Å; K331-K340 WeakPolarHBondContact O-CE 3.34Å; K331-K340 PolarHBondContact O-NZ 3.21Å; S333-K340 WeakPolarHBondContact O-CE 3.29Å; S333-K340 PolarHBondContact O-NZ 2.92Å; S333-K340 VanDerWaalsContact O-NZ 3.16Å; S333-K340 WeakPolarHBondContact OG-CE 3.3Å; L335-K340 HydrophobicContact CB-CB 4.23Å; P336-K340 WeakPolarHBondContact O-CB 3.32Å; P336-K340 PolarHBondContact O-N 3.37Å; E337-K340 IonicContact OE1-NZ 3.84Å; E337-K340 PolarHBondContact OE1-NZ 3.19Å; D338-K340 VanDerWaalsContact C-N 3.27Å; D338-K340 PolarHBondContact O-N 3.3Å; K340-L343 PolarHBondContact O-N 3.48Å; K340-L344 HydrophobicContact CG-CD1 4.35Å; K340-L344 WeakPolarHBondContact O-CB 3.32Å; K340-L344 WeakPolarHBondContact O-CG 3.38Å; K340-L344 PolarHBondContact O-N 2.92Å |
| 341 | R | 98.1 | Very high | 98.4 | Very high | 143 Ų | 143 | 54.6 Ų | 54.6 | 54% | 0.54 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.9 | -43.7 | 173.1 | -76.5 | -175.6 | -61.1 | -89.9 | 4.9 | 111.7 | E337 D338 L343 L344 D345 | E337-R341 VanDerWaalsContact O-CG 3.32Å; E337-R341 WeakPolarHBondContact O-CG 3.32Å; E337-R341 PolarHBondContact O-N 3.23Å; E337-R341 VanDerWaalsContact O-N 3.08Å; E337-R341 PolarHBondContact O-NH1 2.93Å; D338-R341 VanDerWaalsContact CA-NH2 3.28Å; D338-R341 WeakPolarHBondContact O-CB 3.47Å; D338-R341 PolarHBondContact O-N 3.41Å; D338-R341 VanDerWaalsContact O-N 3.16Å; R341-L343 VanDerWaalsContact C-N 3.33Å; R341-L343 PolarHBondContact O-N 3.29Å; R341-L344 PolarHBondContact O-N 3.14Å; R341-D345 PolarHBondContact O-N 3.41Å |
| 342 | E | 98.3 | Very high | 98.3 | Very high | 119 Ų | 119 | 54.1 Ų | 54.1 | 56% | 0.556 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -59.2 | -44.5 | 175.6 | -68.3 | 178.3 | 169.2 | 0 | 0 | 112.1 | K147 D338 E339 D345 L346 | K147-E342 IonicContact NZ-OE2 3.48Å; K147-E342 PolarHBondContact NZ-OE2 3.47Å; D338-E342 PolarHBondContact O-N 3.33Å; E339-E342 PolarHBondContact O-N 2.88Å; E342-D345 PolarHBondContact O-N 3.27Å; E342-L346 WeakPolarHBondContact O-CB 3.19Å; E342-L346 PolarHBondContact O-N 3.36Å |
| 343 | L | 98.6 | Very high | 98.1 | Very high | 9 Ų | 9 | 56.6 Ų | 56.6 | 5% | 0.047 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.3 | -43.9 | 176.5 | 178.1 | 58.6 | 0 | 0 | 0 | 111.5 | V12 V96 Y97 A330 L335 E339 K340 R341 L346 L347 | V12-L343 HydrophobicContact CG2-CD1 4.36Å; V12-L343 HydrophobicContact CG2-CD2 4.26Å; V96-L343 HydrophobicContact CG2-CD1 4.07Å; Y97-L343 HydrophobicContact CD1-CD2 3.61Å; Y97-L343 HydrophobicContact CD2-CD2 4.43Å; Y97-L343 HydrophobicContact CE1-CD2 4.45Å; Y97-L343 HydrophobicContact CG-CD2 3.61Å; A330-L343 HydrophobicContact CB-CD2 3.67Å; A330-L343 HydrophobicContact CB-CG 3.86Å; L335-L343 HydrophobicContact CD1-CB 4.4Å; L335-L343 HydrophobicContact CD1-CD2 3.97Å; E339-L343 PolarHBondContact O-N 2.94Å; K340-L343 PolarHBondContact O-N 3.48Å; R341-L343 VanDerWaalsContact C-N 3.33Å; R341-L343 PolarHBondContact O-N 3.29Å; L343-L346 WeakPolarHBondContact O-CB 3.42Å; L343-L346 PolarHBondContact O-N 3.37Å; L343-L347 HydrophobicContact CD1-CG 4.49Å; L343-L347 WeakPolarHBondContact O-CG 3.26Å; L343-L347 PolarHBondContact O-N 3.04Å |
| 344 | L | 98.6 | Very high | 97.4 | Very high | 23 Ų | 23 | 61.6 Ų | 61.6 | 12% | 0.12 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.3 | -44 | 177.5 | -76.5 | 167.4 | 0 | 0 | 0 | 112.2 | I327 A330 K331 K340 R341 L346 L347 Y348 | I327-L344 HydrophobicContact CG2-CD2 3.95Å; A330-L344 HydrophobicContact CB-CD2 3.78Å; A330-L344 HydrophobicContact CB-CG 4.16Å; K331-L344 HydrophobicContact CG-CD1 4.09Å; K331-L344 HydrophobicContact CG-CD2 4.03Å; K340-L344 HydrophobicContact CG-CD1 4.35Å; K340-L344 WeakPolarHBondContact O-CB 3.32Å; K340-L344 WeakPolarHBondContact O-CG 3.38Å; K340-L344 PolarHBondContact O-N 2.92Å; R341-L344 PolarHBondContact O-N 3.14Å; L344-L346 VanDerWaalsContact C-N 3.31Å; L344-L346 PolarHBondContact O-N 3Å; L344-L347 PolarHBondContact O-N 3.13Å; L344-Y348 HydrophobicContact CB-CD2 4.35Å; L344-Y348 HydrophobicContact CB-CE2 3.99Å; L344-Y348 HydrophobicContact CD2-CE2 4.4Å; L344-Y348 WeakPolarHBondContact O-CD2 3.46Å; L344-Y348 PolarHBondContact O-N 2.91Å |
| 345 | D | 98.1 | Very high | 95.9 | Very high | 82 Ų | 82 | 65.3 Ų | 65.3 | 44% | 0.439 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.2 | -39.7 | 176.9 | -78.9 | -13.4 | 0 | 0 | 0 | 111.9 | R341 E342 K349 | R341-D345 PolarHBondContact O-N 3.41Å; E342-D345 PolarHBondContact O-N 3.27Å; D345-K349 VanDerWaalsContact O-CB 3.3Å; D345-K349 WeakPolarHBondContact O-CB 3.44Å; D345-K349 PolarHBondContact O-N 2.89Å |
| 346 | L | 98.4 | Very high | 94 | Very high | 78 Ų | 78 | 67.4 Ų | 67.4 | 41% | 0.408 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -58.9 | -49.6 | 172.7 | -177.3 | 160.4 | 0 | 0 | 0 | 111 | P10 V96 E342 L343 L344 K349 A350 | P10-L346 HydrophobicContact CB-CD2 4.36Å; V96-L346 HydrophobicContact CB-CD2 4.18Å; V96-L346 HydrophobicContact CG1-CD2 4.16Å; V96-L346 HydrophobicContact CG2-CD2 3.92Å; E342-L346 WeakPolarHBondContact O-CB 3.19Å; E342-L346 PolarHBondContact O-N 3.36Å; L343-L346 WeakPolarHBondContact O-CB 3.42Å; L343-L346 PolarHBondContact O-N 3.37Å; L344-L346 VanDerWaalsContact C-N 3.31Å; L344-L346 PolarHBondContact O-N 3Å; L346-K349 PolarHBondContact O-N 3.29Å; L346-A350 WeakPolarHBondContact O-CB 3.25Å; L346-A350 PolarHBondContact O-N 3.28Å |
| 347 | L | 98.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -64 | -46.5 | 179.7 | -68.4 | 178.5 | 0 | 0 | 0 | 111.9 | P10 V12 V96 A330 L343 L344 K349 A350 Y351 | P10-L347 HydrophobicContact CB-CD2 3.93Å; V12-L347 HydrophobicContact CG2-CD1 3.94Å; V96-L347 HydrophobicContact CG2-CD2 4.03Å; A330-L347 HydrophobicContact CB-CD1 3.7Å; L343-L347 HydrophobicContact CD1-CG 4.49Å; L343-L347 WeakPolarHBondContact O-CG 3.26Å; L343-L347 PolarHBondContact O-N 3.04Å; L344-L347 PolarHBondContact O-N 3.13Å; L347-K349 VanDerWaalsContact C-N 3.32Å; L347-K349 PolarHBondContact O-N 2.63Å; L347-A350 PolarHBondContact O-N 3.28Å; L347-Y351 HydrophobicContact CB-CD2 4.41Å; L347-Y351 HydrophobicContact CB-CE2 4.15Å; L347-Y351 HydrophobicContact CD2-CE2 4.36Å; L347-Y351 VanDerWaalsContact O-CB 3.3Å; L347-Y351 WeakPolarHBondContact O-CB 3.29Å; L347-Y351 WeakPolarHBondContact O-CD2 3.13Å; L347-Y351 PolarHBondContact O-N 3.27Å |
| 348 | Y | 98.1 | Very high | 89.3 | Confident | 24 Ų | 24 | 65.9 Ų | 65.9 | 9% | 0.094 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -58.6 | -45.4 | 178.4 | -70.2 | -45.5 | 0 | 0 | 0 | 111.6 | I327 L344 Y351 G352 M353 | I327-Y348 HydrophobicContact CD1-CD1 4.11Å; I327-Y348 HydrophobicContact CD1-CE1 3.68Å; I327-Y348 HydrophobicContact CG1-CE1 4.08Å; I327-Y348 HydrophobicContact CG2-CE1 4.28Å; L344-Y348 HydrophobicContact CB-CD2 4.35Å; L344-Y348 HydrophobicContact CB-CE2 3.99Å; L344-Y348 HydrophobicContact CD2-CE2 4.4Å; L344-Y348 WeakPolarHBondContact O-CD2 3.46Å; L344-Y348 PolarHBondContact O-N 2.91Å; Y348-Y351 PolarHBondContact O-N 3.24Å; Y348-G352 PolarHBondContact O-N 3.19Å; Y348-G352 VanDerWaalsContact O-N 3.12Å; Y348-M353 HydrophobicContact CD1-CB 3.89Å; Y348-M353 HydrophobicContact CD1-CE 4.16Å; Y348-M353 HydrophobicContact CD1-SD 4.04Å; Y348-M353 HydrophobicContact CE1-CE 4.07Å; Y348-M353 HydrophobicContact CE1-SD 4.41Å; Y348-M353 PolarHBondContact O-N 2.87Å |
| 349 | K | 97.8 | Very high | 86.8 | Confident | 174 Ų | 174 | 67 Ų | 67 | 76% | 0.757 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -60.7 | -46.8 | 175.5 | -174.3 | 178.3 | -179.5 | -179.5 | 0 | 111.8 | D345 L346 L347 Y351 G352 | D345-K349 VanDerWaalsContact O-CB 3.3Å; D345-K349 WeakPolarHBondContact O-CB 3.44Å; D345-K349 PolarHBondContact O-N 2.89Å; L346-K349 PolarHBondContact O-N 3.29Å; L347-K349 VanDerWaalsContact C-N 3.32Å; L347-K349 PolarHBondContact O-N 2.63Å; K349-Y351 PolarHBondContact O-N 2.91Å; K349-G352 PolarHBondContact O-N 3.08Å |
| 350 | A | 98 | Very high | 84 | Confident | 44 Ų | 44 | 68.4 Ų | 68.4 | 36% | 0.364 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -65.1 | -28.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | P10 L346 L347 | P10-A350 HydrophobicContact CB-CB 4.42Å; P10-A350 HydrophobicContact CG-CB 3.61Å; L346-A350 WeakPolarHBondContact O-CB 3.25Å; L346-A350 PolarHBondContact O-N 3.28Å; L347-A350 PolarHBondContact O-N 3.28Å |
| 351 | Y | 98.3 | Very high | 81.3 | Confident | 12 Ų | 12 | 75 Ų | 75 | 5% | 0.047 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -91.6 | -2.1 | -179.1 | -63.9 | -15 | 0 | 0 | 0 | 114.2 | F7 K9 P10 K323 N326 I327 L347 Y348 K349 M353 | F7-Y351 HydrophobicContact CE1-CE1 4.29Å; F7-Y351 AromaticContact CZ-CE1 3.71Å; F7-Y351 HydrophobicContact CZ-CE1 3.71Å; F7-Y351 AromaticContact CZ-CZ 3.88Å; K9-Y351 HydrophobicContact CB-CD1 4.39Å; K9-Y351 HydrophobicContact CB-CE1 3.87Å; K9-Y351 HydrophobicContact CD-CD1 3.93Å; K9-Y351 HydrophobicContact CD-CE1 4.13Å; P10-Y351 PolarHBondContact O-OH 3.03Å; K323-Y351 HydrophobicContact CB-CD2 3.75Å; K323-Y351 HydrophobicContact CB-CE2 3.84Å; K323-Y351 HydrophobicContact CB-CG 4.3Å; K323-Y351 HydrophobicContact CD-CD1 4.46Å; K323-Y351 HydrophobicContact CD-CD2 4.27Å; K323-Y351 HydrophobicContact CD-CG 3.99Å; K323-Y351 HydrophobicContact CG-CD1 3.98Å; K323-Y351 HydrophobicContact CG-CD2 3.66Å; K323-Y351 HydrophobicContact CG-CE1 4.2Å; K323-Y351 HydrophobicContact CG-CE2 3.9Å; K323-Y351 HydrophobicContact CG-CG 3.69Å; N326-Y351 HydrophobicContact CB-CE2 4.38Å; N326-Y351 VanDerWaalsContact CB-OH 3.23Å; N326-Y351 WeakPolarHBondContact CB-OH 3.47Å; I327-Y351 HydrophobicContact CD1-CD2 4.11Å; I327-Y351 HydrophobicContact CD1-CE2 4.34Å; I327-Y351 HydrophobicContact CG1-CD2 4.37Å; I327-Y351 HydrophobicContact CG1-CE2 4.2Å; L347-Y351 HydrophobicContact CB-CD2 4.41Å; L347-Y351 HydrophobicContact CB-CE2 4.15Å; L347-Y351 HydrophobicContact CD2-CE2 4.36Å; L347-Y351 VanDerWaalsContact O-CB 3.3Å; L347-Y351 WeakPolarHBondContact O-CB 3.29Å; L347-Y351 WeakPolarHBondContact O-CD2 3.13Å; L347-Y351 PolarHBondContact O-N 3.27Å; Y348-Y351 PolarHBondContact O-N 3.24Å; K349-Y351 PolarHBondContact O-N 2.91Å; Y351-M353 HydrophobicContact CD2-SD 4.32Å; Y351-M353 PolarHBondContact O-N 3.1Å |
| 352 | G | 96.9 | Very high | 78.6 | Confident | 71 Ų | 71 | 74.7 Ų | 74.7 | 73% | 0.732 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.5 | 24.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y348 K349 | Y348-G352 PolarHBondContact O-N 3.19Å; Y348-G352 VanDerWaalsContact O-N 3.12Å; K349-G352 PolarHBondContact O-N 3.08Å |
| 353 | M | 93.9 | Very high | 75.6 | Confident | 72 Ų | 72 | 80.8 Ų | 80.8 | 36% | 0.355 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -91.8 | 143.5 | 175.9 | -63.1 | 176.1 | 70.3 | 0 | 0 | 108.6 | I327 Y348 Y351 | I327-M353 HydrophobicContact CD1-CE 3.98Å; I327-M353 HydrophobicContact CD1-SD 3.67Å; Y348-M353 HydrophobicContact CD1-CB 3.89Å; Y348-M353 HydrophobicContact CD1-CE 4.16Å; Y348-M353 HydrophobicContact CD1-SD 4.04Å; Y348-M353 HydrophobicContact CE1-CE 4.07Å; Y348-M353 HydrophobicContact CE1-SD 4.41Å; Y348-M353 PolarHBondContact O-N 2.87Å; Y351-M353 HydrophobicContact CD2-SD 4.32Å; Y351-M353 PolarHBondContact O-N 3.1Å |
| 354 | P | 84.1 | Confident | 74.4 | Confident | 107 Ų | 107 | 84.4 Ų | 84.4 | 70% | 0.695 | 52% | 0.517 | S | S | * | . | P | Polyproline II helix | trans | -56.7 | 129.8 | 172.9 | 24.2 | -31.6 | 0 | 0 | 0 | 108.4 | S356 | P354-S356 PolarHBondContact O-N 3.46Š|
| 355 | P | 69.3 | Low | 73.2 | Confident | 87 Ų | 87 | 87.6 Ų | 87.6 | 57% | 0.565 | 54% | 0.538 | S | S | * | . | P | Polyproline II helix | trans | -50.4 | 131.8 | 169.2 | -20.9 | 30.8 | 0 | 0 | 0 | 106.9 | A357 | P355-A357 PolarHBondContact O-N 2.95Š|
| 356 | S | 58.3 | Low | 71.8 | Confident | 47 Ų | 47 | 87.9 Ų | 87.9 | 33% | 0.329 | 54% | 0.543 | S | S | . | . | P | Polyproline II helix | trans | -49.1 | 123.9 | -167.3 | 102.1 | 0 | 0 | 0 | 0 | 109.4 | P354 S358 | P354-S356 PolarHBondContact O-N 3.46Å; S356-S358 WeakPolarHBondContact CB-OG 3.21Å; S356-S358 PolarHBondContact O-N 3.29Å; S356-S358 WeakPolarHBondContact OG-CA 3.47Å; S356-S358 WeakPolarHBondContact OG-CB 3.47Å; S356-S358 PolarHBondContact OG-N 3.14Å; S356-S358 VanDerWaalsContact OG-N 3.13Å; S356-S358 PolarHBondContact OG-OG 2.76Å |
| 357 | A | 49.2 | Very low | 70.2 | Confident | 111 Ų | 111 | 88.5 Ų | 88.5 | 92% | 0.917 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -67.1 | 10.7 | 161.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | P355 | P355-A357 PolarHBondContact O-N 2.95Š|
| 358 | S | 48.2 | Very low | 68.5 | Low | 32 Ų | 32 | 94 Ų | 94 | 22% | 0.224 | 59% | 0.586 | C | S | . | * | trans | -99.2 | 24.2 | -162.4 | -29.9 | 0 | 0 | 0 | 0 | 113.7 | S356 G360 | S356-S358 WeakPolarHBondContact CB-OG 3.21Å; S356-S358 PolarHBondContact O-N 3.29Å; S356-S358 WeakPolarHBondContact OG-CA 3.47Å; S356-S358 WeakPolarHBondContact OG-CB 3.47Å; S356-S358 PolarHBondContact OG-N 3.14Å; S356-S358 VanDerWaalsContact OG-N 3.13Å; S356-S358 PolarHBondContact OG-OG 2.76Å; S358-G360 PolarHBondContact O-N 3.23Å | ||
| 359 | A | 44.8 | Very low | 66.5 | Low | 111 Ų | 111 | 98.7 Ų | 98.7 | 92% | 0.917 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.4 | -3.9 | 165 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 360 | G | 40.3 | Very low | 64.2 | Low | 68 Ų | 68 | 93.3 Ų | 93.3 | 70% | 0.701 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.4 | 13.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | S358 | S358-G360 PolarHBondContact O-N 3.23Š|
| 361 | Q | 40.5 | Very low | 61.6 | Low | 161 Ų | 161 | 97.1 Ų | 97.1 | 75% | 0.752 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -120.5 | 7.2 | -179.8 | -81 | -173.7 | -18.5 | 0 | 0 | 115.1 | ||
| 362 | H | 43.4 | Very low | 58.6 | Low | 137 Ų | 137 | 104.2 Ų | 104.2 | 63% | 0.634 | 68% | 0.676 | S | S | * | * | trans | -126.1 | 54.8 | 178.7 | -63.7 | -45 | 0 | 0 | 0 | 111.5 | ||||
| 363 | L | 34.2 | Very low | 55.1 | Low | 246 Ų | 246 | 107.2 Ų | 107.2 | 100% | 1.288 | 67% | 0.671 | S | S | * | * | trans | -110.3 | 0 | 161.3 | -80.6 | 172.3 | 0 | 0 | 0 | 109.5 |
Retrieved 363 of 363 residues in 1468.9 ms
(Link to these results)