| 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 | 34.8 | Very low | 79.1 | Confident | 228 Ų | 228 | 45.2 Ų | 45.2 | 100% | 1.123 | 28% | 0.282 | S | S | * | . | 0 | 140.5 | 0 | -61.5 | -50.1 | -134 | 0 | 0 | 109.3 | |||||
| 2 | A | 37.3 | Very low | 80.7 | Confident | 94 Ų | 94 | 41.4 Ų | 41.4 | 78% | 0.777 | 26% | 0.258 | S | S | * | . | trans | -111.2 | 119.1 | 172 | 0 | 0 | 0 | 0 | 0 | 108.7 | A4 | A2-A4 PolarHBondContact O-N 3.05Š| ||
| 3 | G | 59.7 | Low | 81.8 | Confident | 21 Ų | 21 | 40.5 Ų | 40.5 | 22% | 0.216 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -62.9 | 128.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | R350 C351 | G3-R350 PolarHBondContact O-NH1 2.78Å; G3-C351 CarbonylContact C-O 3.55Å; G3-C351 VanDerWaalsContact CA-O 3.32Å; G3-C351 WeakPolarHBondContact CA-O 3.37Å |
| 4 | A | 73.3 | Confident | 82.8 | Confident | 34 Ų | 34 | 41.7 Ų | 41.7 | 28% | 0.281 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 142.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | A2 R350 C351 | A2-A4 PolarHBondContact O-N 3.05Å; A4-R350 CarbonylContact O-C 3.57Å; A4-R350 VanDerWaalsContact O-CA 3.3Å; A4-R350 WeakPolarHBondContact O-CA 3.45Å; A4-C351 PolarHBondContact N-O 2.84Å; A4-C351 PolarHBondContact O-N 2.82Å |
| 5 | S | 84.8 | Confident | 83.5 | Confident | 68 Ų | 68 | 42.6 Ų | 42.6 | 48% | 0.476 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 149.7 | 170.5 | 46.8 | 0 | 0 | 0 | 0 | 111.1 | K7 I349 | S5-K7 PolarHBondContact O-N 3.47Å; S5-I349 CarbonylContact C-O 3.59Å; S5-I349 VanDerWaalsContact CA-O 3.26Å; S5-I349 WeakPolarHBondContact CA-O 3.39Å |
| 6 | V | 92.2 | Very high | 83.8 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.006 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 124.5 | 167.4 | 176.3 | 0 | 0 | 0 | 0 | 108.6 | V8 T320 I349 | V6-V8 HydrophobicContact CG1-CG2 4.44Å; V6-T320 WeakPolarHBondContact CA-O 3.4Å; V6-T320 HydrophobicContact CG1-CG2 4.13Å; V6-T320 HydrophobicContact CG2-CG2 4.47Å; V6-I349 HydrophobicContact CB-CB 4.41Å; V6-I349 HydrophobicContact CG2-CB 3.67Å; V6-I349 HydrophobicContact CG2-CG2 3.72Å; V6-I349 PolarHBondContact N-O 2.83Å |
| 7 | K | 95.6 | Very high | 84.1 | Confident | 45 Ų | 45 | 46.9 Ų | 46.9 | 20% | 0.196 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 138.3 | 172.5 | -85.7 | -164.1 | 175.1 | -176.2 | 0 | 109.7 | S5 I77 E80 T320 A321 M322 | S5-K7 PolarHBondContact O-N 3.47Å; K7-I77 HydrophobicContact CD-CD1 4.28Å; K7-E80 WeakPolarHBondContact CD-OE2 3.3Å; K7-E80 WeakPolarHBondContact CE-OE1 2.82Å; K7-E80 VanDerWaalsContact CE-OE2 3.23Å; K7-E80 WeakPolarHBondContact CE-OE2 3.38Å; K7-E80 IonicContact NZ-OE1 3.8Å; K7-E80 PolarHBondContact NZ-OE1 2.78Å; K7-E80 IonicContact NZ-OE2 3.17Å; K7-E80 PolarHBondContact NZ-OE2 2.9Å; K7-T320 PolarHBondContact N-O 3.3Å; K7-A321 HydrophobicContact CB-CB 4.36Å; K7-A321 CarbonylContact O-C 3.51Å; K7-A321 WeakPolarHBondContact O-CA 3.39Å; K7-M322 PolarHBondContact O-N 3.42Å |
| 8 | V | 97.4 | Very high | 84.1 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 118.3 | 179 | -178.2 | 0 | 0 | 0 | 0 | 110.3 | V6 F52 D53 M322 A343 A346 K347 | V6-V8 HydrophobicContact CG1-CG2 4.44Å; V8-F52 HydrophobicContact CB-CD1 4.43Å; V8-F52 HydrophobicContact CG1-CD1 3.68Å; V8-F52 HydrophobicContact CG1-CE1 4.25Å; V8-F52 WeakPolarHBondContact O-CB 3.47Å; V8-D53 PolarHBondContact N-OD2 2.95Å; V8-D53 WeakPolarHBondContact O-CB 3.13Å; V8-D53 PolarHBondContact O-N 3.41Å; V8-M322 HydrophobicContact CG2-CB 4.36Å; V8-A343 HydrophobicContact CG1-CB 3.7Å; V8-A346 HydrophobicContact CG2-CB 4.19Å; V8-K347 HydrophobicContact CB-CB 4.36Å; V8-K347 HydrophobicContact CB-CG 4.47Å; V8-K347 HydrophobicContact CG2-CB 3.78Å; V8-K347 HydrophobicContact CG2-CG 4.22Å |
| 9 | A | 98.3 | Very high | 84.5 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 153.3 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y54 Y56 M322 I323 A324 | A9-Y54 WeakPolarHBondContact CA-O 3.36Å; A9-Y54 HydrophobicContact CB-CD2 4.49Å; A9-Y56 HydrophobicContact CB-CD2 4.16Å; A9-Y56 HydrophobicContact CB-CE2 3.6Å; A9-M322 PolarHBondContact N-O 3.15Å; A9-I323 HydrophobicContact CB-CG1 4.4Å; A9-I323 HydrophobicContact CB-CG2 4.41Å; A9-I323 WeakPolarHBondContact O-CA 3.43Å; A9-A324 PolarHBondContact O-N 3.17Å |
| 10 | V | 98.4 | Very high | 84.8 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 149.8 | 167.2 | -57.6 | 0 | 0 | 0 | 0 | 110.1 | M30 T35 F52 Y54 Y56 A324 L326 L340 A343 | V10-M30 HydrophobicContact CG2-CE 3.94Å; V10-T35 VanDerWaalsContact CG2-OG1 3.31Å; V10-T35 WeakPolarHBondContact CG2-OG1 3.42Å; V10-F52 HydrophobicContact CB-CD2 4.12Å; V10-F52 HydrophobicContact CB-CE2 4.29Å; V10-F52 HydrophobicContact CG1-CD1 3.89Å; V10-F52 HydrophobicContact CG1-CD2 3.51Å; V10-F52 HydrophobicContact CG1-CE1 3.91Å; V10-F52 HydrophobicContact CG1-CE2 3.51Å; V10-F52 HydrophobicContact CG1-CG 3.69Å; V10-F52 HydrophobicContact CG1-CZ 3.72Å; V10-F52 HydrophobicContact CG2-CD2 3.41Å; V10-F52 VanDerWaalsContact CG2-CD2 3.41Å; V10-F52 HydrophobicContact CG2-CE2 3.79Å; V10-F52 HydrophobicContact CG2-CG 4.13Å; V10-Y54 PolarHBondContact N-O 3.47Å; V10-Y54 VanDerWaalsContact N-O 3.07Å; V10-Y56 PolarHBondContact O-N 3.02Å; V10-A324 CarbonylContact C-O 3.47Å; V10-A324 WeakPolarHBondContact CA-O 3.26Å; V10-A324 HydrophobicContact CB-CB 4.47Å; V10-A324 HydrophobicContact CG1-CB 3.89Å; V10-L326 HydrophobicContact CB-CD1 4.11Å; V10-L326 HydrophobicContact CG2-CD1 4.37Å; V10-L340 HydrophobicContact CG1-CD2 4.45Å; V10-A343 HydrophobicContact CG1-CB 4.18Å |
| 11 | R | 98.3 | Very high | 85 | Confident | 6 Ų | 6 | 55.3 Ų | 55.3 | 2% | 0.023 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 123.1 | -176.7 | -173.5 | 172.7 | -167.7 | -161.6 | 9.6 | 111.6 | Y56 S58 A68 T106 I323 A324 A325 L326 | R11-Y56 WeakPolarHBondContact CA-O 3.28Å; R11-Y56 HydrophobicContact CB-CD2 4.28Å; R11-S58 PolarHBondContact NE-OG 2.97Å; R11-S58 PolarHBondContact NH2-OG 3.1Å; R11-A68 PolarHBondContact NH2-O 3.15Å; R11-T106 PolarHBondContact NH1-OG1 2.92Å; R11-I323 HydrophobicContact CB-CG2 4.46Å; R11-A324 PolarHBondContact N-O 3.42Å; R11-A325 CarbonylContact O-C 3.59Å; R11-L326 PolarHBondContact O-N 2.8Å |
| 12 | V | 98 | Very high | 87.6 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 131.8 | 173.4 | 64.5 | 0 | 0 | 0 | 0 | 110.3 | I28 M30 Y56 W57 S58 H59 L326 P328 | V12-I28 HydrophobicContact CB-CG2 4.03Å; V12-I28 HydrophobicContact CG1-CG2 4.02Å; V12-I28 HydrophobicContact CG2-CB 4.22Å; V12-I28 HydrophobicContact CG2-CG2 3.99Å; V12-M30 HydrophobicContact CB-CE 3.81Å; V12-M30 HydrophobicContact CG1-CE 3.55Å; V12-M30 HydrophobicContact CG1-SD 3.76Å; V12-Y56 PolarHBondContact N-O 3.14Å; V12-W57 HydrophobicContact CG1-CD2 4.36Å; V12-W57 HydrophobicContact CG1-CE3 3.57Å; V12-W57 HydrophobicContact CG1-CZ3 4.06Å; V12-S58 CarbonylContact O-C 3.55Å; V12-S58 WeakPolarHBondContact O-CA 3.32Å; V12-S58 VanDerWaalsContact O-CB 3.25Å; V12-S58 WeakPolarHBondContact O-CB 3.22Å; V12-S58 PolarHBondContact O-N 3.24Å; V12-H59 HydrophobicContact CG1-CB 4.26Å; V12-H59 PolarHBondContact O-N 2.76Å; V12-L326 HydrophobicContact CB-CB 4.26Å; V12-L326 HydrophobicContact CG2-CB 4.47Å; V12-P328 HydrophobicContact CG2-CB 3.71Å; V12-P328 HydrophobicContact CG2-CG 4.4Å |
| 13 | R | 96 | Very high | 90.2 | Very high | 29 Ų | 29 | 54.7 Ų | 54.7 | 11% | 0.109 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -96.3 | 172.4 | -177.4 | 64.5 | 147.1 | 172.7 | 70.1 | 3.9 | 113.1 | N16 E19 S58 H59 G100 A101 L326 P328 | R13-N16 PolarHBondContact NH2-ND2 3.18Å; R13-E19 IonicContact CZ-OE1 3.99Å; R13-E19 IonicContact CZ-OE2 2.88Å; R13-E19 IonicContact NH1-OE1 3.86Å; R13-E19 PolarHBondContact NH1-OE1 2.98Å; R13-E19 IonicContact NH1-OE2 2.63Å; R13-E19 PolarHBondContact NH1-OE2 3.11Å; R13-E19 IonicContact NH2-OE1 2.74Å; R13-E19 PolarHBondContact NH2-OE1 3.27Å; R13-E19 IonicContact NH2-OE2 3.65Å; R13-E19 PolarHBondContact NH2-OE2 3.42Å; R13-S58 CarbonylContact C-O 3.59Å; R13-H59 PolarHBondContact O-ND1 3.47Å; R13-G100 VanDerWaalsContact CZ-O 3.24Å; R13-G100 PolarHBondContact NE-O 2.81Å; R13-G100 PolarHBondContact NH2-O 3.05Å; R13-A101 WeakPolarHBondContact CG-O 3.25Å; R13-L326 PolarHBondContact N-O 2.97Å; R13-P328 WeakPolarHBondContact O-CD 3.33Å; R13-P328 WeakPolarHBondContact O-CG 3.41Å |
| 14 | P | 94.8 | Very high | 91.7 | Very high | 58 Ų | 58 | 54.4 Ų | 54.4 | 38% | 0.377 | 30% | 0.295 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 166.2 | 171 | -15.7 | 32.4 | 0 | 0 | 0 | 110.9 | S58 H59 | P14-S58 WeakPolarHBondContact CD-O 3.45Å; P14-S58 VanDerWaalsContact CG-O 3.25Å; P14-S58 WeakPolarHBondContact CG-O 3.44Å; P14-H59 VanDerWaalsContact CA-O 3.31Å; P14-H59 WeakPolarHBondContact CA-O 3.44Å; P14-H59 WeakPolarHBondContact CB-O 3.48Å |
| 15 | F | 93.8 | Very high | 92.7 | Very high | 55 Ų | 55 | 59.9 Ų | 59.9 | 24% | 0.241 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 142 | 170.9 | -70.2 | -63.6 | 0 | 0 | 0 | 111.6 | E19 L20 A24 H59 P328 A329 | F15-E19 WeakPolarHBondContact CA-OE2 3.47Å; F15-E19 HydrophobicContact CB-CB 4.28Å; F15-E19 HydrophobicContact CD1-CB 3.82Å; F15-E19 HydrophobicContact CG-CB 4.47Å; F15-L20 HydrophobicContact CB-CD2 3.75Å; F15-L20 HydrophobicContact CB-CG 3.84Å; F15-L20 HydrophobicContact CD2-CD2 4.29Å; F15-L20 HydrophobicContact CG-CD2 4.32Å; F15-A24 HydrophobicContact CE1-CB 4.41Å; F15-A24 WeakPolarHBondContact CZ-O 3.47Å; F15-H59 AromaticContact CD2-CE1 3.61Å; F15-H59 AromaticContact CE2-CE1 3.51Å; F15-H59 AromaticContact CE2-NE2 3.61Å; F15-H59 AromaticContact CG-CE1 3.97Å; F15-H59 AromaticContact CZ-CE1 3.78Å; F15-P328 HydrophobicContact CD1-CG 3.7Å; F15-P328 HydrophobicContact CE1-CB 4.21Å; F15-P328 HydrophobicContact CE1-CG 3.81Å; F15-P328 HydrophobicContact CG-CG 4.4Å; F15-A329 HydrophobicContact CD1-CB 4.33Å; F15-A329 HydrophobicContact CE1-CB 4.03Å |
| 16 | N | 88.8 | Confident | 93.1 | Very high | 53 Ų | 53 | 59.2 Ų | 59.2 | 28% | 0.283 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -91.6 | 169.3 | 170.6 | 72.5 | 33.2 | 0 | 0 | 0 | 111.6 | R13 R18 E19 L20 | R13-N16 PolarHBondContact NH2-ND2 3.18Å; N16-R18 PolarHBondContact O-N 3.17Å; N16-R18 VanDerWaalsContact O-N 3.13Å; N16-R18 WeakPolarHBondContact OD1-CA 3.23Å; N16-R18 WeakPolarHBondContact OD1-CB 3.38Å; N16-R18 PolarHBondContact OD1-N 3.47Å; N16-E19 PolarHBondContact N-OE2 3.44Å; N16-E19 PolarHBondContact O-N 3.01Å; N16-E19 WeakPolarHBondContact OD1-CG 3.26Å; N16-E19 PolarHBondContact OD1-N 3.42Å; N16-L20 WeakPolarHBondContact O-CG 3.49Å; N16-L20 PolarHBondContact O-N 3.08Å |
| 17 | S | 87.8 | Confident | 93.3 | Very high | 106 Ų | 106 | 59.6 Ų | 59.6 | 74% | 0.741 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -57.4 | -29.9 | -177.1 | -39.9 | 0 | 0 | 0 | 0 | 114.2 | G21 | S17-G21 PolarHBondContact O-N 3.44Å |
| 18 | R | 85.3 | Confident | 93.3 | Very high | 189 Ų | 189 | 57.5 Ų | 57.5 | 71% | 0.713 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -74.2 | -37.5 | 177 | -175.2 | -173.7 | -67.3 | 179.6 | 0.9 | 111.8 | N16 R22 | N16-R18 PolarHBondContact O-N 3.17Å; N16-R18 VanDerWaalsContact O-N 3.13Å; N16-R18 WeakPolarHBondContact OD1-CA 3.23Å; N16-R18 WeakPolarHBondContact OD1-CB 3.38Å; N16-R18 PolarHBondContact OD1-N 3.47Å; R18-R22 WeakPolarHBondContact O-CB 3.46Å; R18-R22 WeakPolarHBondContact O-CG 3.38Å; R18-R22 PolarHBondContact O-N 3.3Å |
| 19 | E | 91.6 | Very high | 93.2 | Very high | 3 Ų | 3 | 63.6 Ų | 63.6 | 1% | 0.014 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -73.1 | -43.3 | 177.4 | -68.1 | 158.6 | 176.1 | 0 | 0 | 110.8 | R13 F15 N16 R22 N23 A24 S327 A329 I331 N332 | R13-E19 IonicContact CZ-OE1 3.99Å; R13-E19 IonicContact CZ-OE2 2.88Å; R13-E19 IonicContact NH1-OE1 3.86Å; R13-E19 PolarHBondContact NH1-OE1 2.98Å; R13-E19 IonicContact NH1-OE2 2.63Å; R13-E19 PolarHBondContact NH1-OE2 3.11Å; R13-E19 IonicContact NH2-OE1 2.74Å; R13-E19 PolarHBondContact NH2-OE1 3.27Å; R13-E19 IonicContact NH2-OE2 3.65Å; R13-E19 PolarHBondContact NH2-OE2 3.42Å; F15-E19 WeakPolarHBondContact CA-OE2 3.47Å; F15-E19 HydrophobicContact CB-CB 4.28Å; F15-E19 HydrophobicContact CD1-CB 3.82Å; F15-E19 HydrophobicContact CG-CB 4.47Å; N16-E19 PolarHBondContact N-OE2 3.44Å; N16-E19 PolarHBondContact O-N 3.01Å; N16-E19 WeakPolarHBondContact OD1-CG 3.26Å; N16-E19 PolarHBondContact OD1-N 3.42Å; E19-R22 CarbonylContact O-C 3.54Å; E19-R22 PolarHBondContact O-N 3.46Å; E19-N23 PolarHBondContact O-N 3.26Å; E19-A24 HydrophobicContact CB-CB 4.01Å; E19-A24 WeakPolarHBondContact O-CB 3.5Å; E19-A24 PolarHBondContact O-N 3.28Å; E19-S327 PolarHBondContact OE1-OG 3.02Å; E19-A329 HydrophobicContact CB-CB 4.32Å; E19-A329 HydrophobicContact CG-CB 3.72Å; E19-I331 HydrophobicContact CG-CD1 4.02Å; E19-N332 PolarHBondContact OE1-ND2 2.8Å; E19-N332 VanDerWaalsContact OE1-ND2 3.12Å |
| 20 | L | 90.9 | Very high | 93 | Very high | 106 Ų | 106 | 65.2 Ų | 65.2 | 56% | 0.555 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -59.5 | -50.6 | 171.7 | -68 | 174 | 0 | 0 | 0 | 111.4 | F15 N16 R22 N23 | F15-L20 HydrophobicContact CB-CD2 3.75Å; F15-L20 HydrophobicContact CB-CG 3.84Å; F15-L20 HydrophobicContact CD2-CD2 4.29Å; F15-L20 HydrophobicContact CG-CD2 4.32Å; N16-L20 WeakPolarHBondContact O-CG 3.49Å; N16-L20 PolarHBondContact O-N 3.08Å; L20-R22 PolarHBondContact O-N 3.32Å; L20-R22 VanDerWaalsContact O-N 3.13Å; L20-N23 PolarHBondContact O-N 3.09Å |
| 21 | G | 89.3 | Confident | 92.7 | Very high | 65 Ų | 65 | 73.3 Ų | 73.3 | 67% | 0.67 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -63.1 | -17.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | S17 | S17-G21 PolarHBondContact O-N 3.44Å |
| 22 | R | 88.9 | Confident | 92.5 | Very high | 166 Ų | 166 | 75.8 Ų | 75.8 | 63% | 0.626 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | 3.1 | 173.3 | -72.6 | -176.9 | 172 | -153.1 | -5.9 | 113.8 | R18 E19 L20 A24 | R18-R22 WeakPolarHBondContact O-CB 3.46Å; R18-R22 WeakPolarHBondContact O-CG 3.38Å; R18-R22 PolarHBondContact O-N 3.3Å; E19-R22 CarbonylContact O-C 3.54Å; E19-R22 PolarHBondContact O-N 3.46Å; L20-R22 PolarHBondContact O-N 3.32Å; L20-R22 VanDerWaalsContact O-N 3.13Å; R22-A24 PolarHBondContact O-N 3.28Å |
| 23 | N | 91.1 | Very high | 92.3 | Very high | 144 Ų | 144 | 79.6 Ų | 79.6 | 77% | 0.77 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 39.8 | -172.7 | -63.6 | -76.3 | 0 | 0 | 0 | 112.9 | E19 L20 | E19-N23 PolarHBondContact O-N 3.26Å; L20-N23 PolarHBondContact O-N 3.09Å |
| 24 | A | 92.1 | Very high | 92.3 | Very high | 14 Ų | 14 | 79.9 Ų | 79.9 | 12% | 0.116 | 43% | 0.43 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 145.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | F15 E19 R22 A329 D330 | F15-A24 HydrophobicContact CE1-CB 4.41Å; F15-A24 WeakPolarHBondContact CZ-O 3.47Å; E19-A24 HydrophobicContact CB-CB 4.01Å; E19-A24 WeakPolarHBondContact O-CB 3.5Å; E19-A24 PolarHBondContact O-N 3.28Å; R22-A24 PolarHBondContact O-N 3.28Å; A24-A329 HydrophobicContact CB-CB 3.95Å; A24-D330 WeakPolarHBondContact CA-OD1 3.44Å; A24-D330 WeakPolarHBondContact CB-OD1 3.48Å |
| 25 | K | 92.8 | Very high | 92.4 | Very high | 150 Ų | 150 | 77.1 Ų | 77.1 | 65% | 0.652 | 41% | 0.412 | S | S | * | . | P | Polyproline II helix | trans | -100 | 147.6 | -179 | -61.4 | 173.6 | -176.5 | 172.5 | 0 | 111 | V27 A329 D330 | K25-V27 PolarHBondContact O-N 2.94Å; K25-A329 CarbonylContact O-C 3.52Å; K25-A329 WeakPolarHBondContact O-CA 3.4Å; K25-D330 HydrophobicContact CB-CB 4.49Å; K25-D330 WeakPolarHBondContact CB-OD2 3.45Å; K25-D330 VanDerWaalsContact N-CG 3.25Å; K25-D330 PolarHBondContact N-OD1 3.49Å; K25-D330 VanDerWaalsContact N-OD1 3.12Å; K25-D330 PolarHBondContact N-OD2 2.91Å; K25-D330 VanDerWaalsContact N-OD2 3.15Å; K25-D330 PolarHBondContact O-N 3.31Å |
| 26 | S | 94.4 | Very high | 92.6 | Very high | 53 Ų | 53 | 76 Ų | 76 | 37% | 0.371 | 41% | 0.411 | S | S | . | . | B | Isolated β-bridge | trans | -76.3 | 124.6 | 175.4 | -168.3 | 0 | 0 | 0 | 0 | 109.6 | I28 P328 | S26-I28 PolarHBondContact OG-O 3.47Å; S26-P328 CarbonylContact C-O 3.48Å; S26-P328 WeakPolarHBondContact CA-O 3.33Å |
| 27 | V | 95.6 | Very high | 92.9 | Very high | 10 Ų | 10 | 73.5 Ų | 73.5 | 6% | 0.061 | 40% | 0.397 | C | S | . | . | trans | -106.8 | -4.7 | 176.3 | -67.8 | 0 | 0 | 0 | 0 | 112.9 | K25 I37 S38 P40 P328 D330 Y333 | K25-V27 PolarHBondContact O-N 2.94Å; V27-I37 HydrophobicContact CG2-CG1 4.23Å; V27-I37 WeakPolarHBondContact O-CA 3.36Å; V27-S38 WeakPolarHBondContact CB-O 3.23Å; V27-S38 PolarHBondContact O-N 3.34Å; V27-P40 HydrophobicContact CG1-CB 4.34Å; V27-P40 HydrophobicContact CG1-CG 4.31Å; V27-P328 WeakPolarHBondContact CG2-O 3.38Å; V27-P328 PolarHBondContact N-O 2.91Å; V27-D330 HydrophobicContact CG1-CB 3.65Å; V27-Y333 HydrophobicContact CG2-CD2 4.47Å | ||
| 28 | I | 96.5 | Very high | 93.2 | Very high | 1 Ų | 1 | 70.6 Ų | 70.6 | 1% | 0.005 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 135.8 | 178.2 | -67 | -70.5 | 0 | 0 | 0 | 110.2 | V12 S26 M30 T35 C36 I37 W57 L326 T336 L340 | V12-I28 HydrophobicContact CB-CG2 4.03Å; V12-I28 HydrophobicContact CG1-CG2 4.02Å; V12-I28 HydrophobicContact CG2-CB 4.22Å; V12-I28 HydrophobicContact CG2-CG2 3.99Å; S26-I28 PolarHBondContact OG-O 3.47Å; I28-M30 HydrophobicContact CG2-CE 4.13Å; I28-M30 HydrophobicContact CG2-CG 4.32Å; I28-T35 HydrophobicContact CD1-CG2 4.19Å; I28-T35 HydrophobicContact CG2-CG2 4.16Å; I28-C36 WeakPolarHBondContact CA-O 3.32Å; I28-I37 HydrophobicContact CD1-CB 3.73Å; I28-I37 HydrophobicContact CD1-CD1 4.04Å; I28-I37 HydrophobicContact CD1-CG1 3.65Å; I28-I37 HydrophobicContact CG1-CG1 4.47Å; I28-W57 HydrophobicContact CG2-CZ3 4.48Å; I28-L326 HydrophobicContact CD1-CD1 4.47Å; I28-T336 HydrophobicContact CD1-CG2 3.68Å; I28-T336 HydrophobicContact CG1-CG2 4.02Å; I28-L340 HydrophobicContact CD1-CD1 4.1Å |
| 29 | Q | 94.1 | Very high | 93.5 | Very high | 127 Ų | 127 | 62 Ų | 62 | 59% | 0.593 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 145.5 | 168.2 | -67 | 175.8 | -16.5 | 0 | 0 | 108.2 | C36 | Q29-C36 HydrophobicContact CB-CB 4.4Å; Q29-C36 PolarHBondContact N-O 2.84Å; Q29-C36 PolarHBondContact O-N 2.68Å |
| 30 | M | 95.6 | Very high | 93.1 | Very high | 35 Ų | 35 | 64.7 Ų | 64.7 | 17% | 0.172 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 143 | 177.7 | -66.8 | -178.6 | 174.2 | 0 | 0 | 110 | V10 V12 I28 S34 T35 W57 L326 | V10-M30 HydrophobicContact CG2-CE 3.94Å; V12-M30 HydrophobicContact CB-CE 3.81Å; V12-M30 HydrophobicContact CG1-CE 3.55Å; V12-M30 HydrophobicContact CG1-SD 3.76Å; I28-M30 HydrophobicContact CG2-CE 4.13Å; I28-M30 HydrophobicContact CG2-CG 4.32Å; M30-S34 WeakPolarHBondContact CA-O 3.2Å; M30-T35 HydrophobicContact CE-CG2 3.9Å; M30-T35 WeakPolarHBondContact CE-OG1 3.48Å; M30-T35 HydrophobicContact CG-CG2 4.14Å; M30-W57 HydrophobicContact CB-CE3 4.29Å; M30-W57 HydrophobicContact CG-CE3 4.28Å; M30-W57 HydrophobicContact SD-CB 4.29Å; M30-W57 HydrophobicContact SD-CE3 4.47Å; M30-L326 HydrophobicContact CE-CD1 4Å |
| 31 | Q | 92.1 | Very high | 92.8 | Very high | 169 Ų | 169 | 67.9 Ų | 67.9 | 79% | 0.79 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 109.1 | 175.2 | -170 | 177.1 | 26.7 | 0 | 0 | 109.3 | N33 S34 | Q31-N33 PolarHBondContact O-N 3.1Å; Q31-S34 PolarHBondContact N-O 2.9Å; Q31-S34 PolarHBondContact O-N 3.12Å; Q31-S34 VanDerWaalsContact O-N 3.13Å |
| 32 | G | 92.2 | Very high | 92.5 | Very high | 59 Ų | 59 | 69.5 Ų | 69.5 | 61% | 0.608 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | -132.8 | -166.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | S34 S55 | G32-S34 PolarHBondContact O-N 3Å; G32-S55 WeakPolarHBondContact O-CB 3.36Å |
| 33 | N | 95 | Very high | 91.9 | Very high | 79 Ų | 79 | 66.8 Ų | 66.8 | 42% | 0.422 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | 5.6 | -178.4 | -67.1 | 12.6 | 0 | 0 | 0 | 114.7 | Q31 T51 F52 D53 S55 | Q31-N33 PolarHBondContact O-N 3.1Å; N33-T51 HydrophobicContact CB-CG2 4.44Å; N33-T51 WeakPolarHBondContact O-CA 3.3Å; N33-F52 PolarHBondContact O-N 3.23Å; N33-D53 PolarHBondContact ND2-O 3.45Å; N33-S55 PolarHBondContact O-OG 3.42Å |
| 34 | S | 96.3 | Very high | 91.2 | Very high | 36 Ų | 36 | 69.5 Ų | 69.5 | 25% | 0.252 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 132.9 | -178.9 | -63.1 | 0 | 0 | 0 | 0 | 112.3 | M30 Q31 G32 F50 T51 | M30-S34 WeakPolarHBondContact CA-O 3.2Å; Q31-S34 PolarHBondContact N-O 2.9Å; Q31-S34 PolarHBondContact O-N 3.12Å; Q31-S34 VanDerWaalsContact O-N 3.13Å; G32-S34 PolarHBondContact O-N 3Å; S34-F50 CarbonylContact C-O 3.56Å; S34-F50 VanDerWaalsContact CA-O 3.32Å; S34-F50 WeakPolarHBondContact CA-O 3.25Å; S34-T51 PolarHBondContact OG-OG1 2.91Å; S34-T51 VanDerWaalsContact OG-OG1 3.04Å |
| 35 | T | 97.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 73.8 Ų | 73.8 | 0% | 0 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 126.2 | 175.5 | -63.5 | 0 | 0 | 0 | 0 | 110.1 | V10 I28 M30 T49 F50 S55 L326 L340 | V10-T35 VanDerWaalsContact CG2-OG1 3.31Å; V10-T35 WeakPolarHBondContact CG2-OG1 3.42Å; I28-T35 HydrophobicContact CD1-CG2 4.19Å; I28-T35 HydrophobicContact CG2-CG2 4.16Å; M30-T35 HydrophobicContact CE-CG2 3.9Å; M30-T35 WeakPolarHBondContact CE-OG1 3.48Å; M30-T35 HydrophobicContact CG-CG2 4.14Å; T35-T49 WeakPolarHBondContact O-CA 3.45Å; T35-F50 PolarHBondContact N-O 2.89Å; T35-F50 PolarHBondContact O-N 3.44Å; T35-S55 WeakPolarHBondContact OG1-CB 3.37Å; T35-S55 PolarHBondContact OG1-OG 3.05Å; T35-L326 HydrophobicContact CG2-CD1 4.35Å; T35-L340 HydrophobicContact CG2-CD2 3.86Å |
| 36 | C | 96.3 | Very high | 89.9 | Confident | 31 Ų | 31 | 68.6 Ų | 68.6 | 21% | 0.209 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 131.3 | 178.1 | -67.6 | 0 | 0 | 0 | 0 | 110.3 | I28 Q29 A47 K48 T49 | I28-C36 WeakPolarHBondContact CA-O 3.32Å; Q29-C36 HydrophobicContact CB-CB 4.4Å; Q29-C36 PolarHBondContact N-O 2.84Å; Q29-C36 PolarHBondContact O-N 2.68Å; C36-A47 HydrophobicContact CB-CB 4.41Å; C36-K48 CarbonylContact C-O 3.56Å; C36-K48 WeakPolarHBondContact CA-O 3.25Å; C36-T49 PolarHBondContact SG-OG1 3.2Å |
| 37 | I | 96.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 123.8 | 172.5 | -164.1 | -176.3 | 0 | 0 | 0 | 111.8 | V27 I28 A47 K48 F50 Y333 T336 L337 L340 | V27-I37 HydrophobicContact CG2-CG1 4.23Å; V27-I37 WeakPolarHBondContact O-CA 3.36Å; I28-I37 HydrophobicContact CD1-CB 3.73Å; I28-I37 HydrophobicContact CD1-CD1 4.04Å; I28-I37 HydrophobicContact CD1-CG1 3.65Å; I28-I37 HydrophobicContact CG1-CG1 4.47Å; I37-A47 WeakPolarHBondContact O-CA 3.37Å; I37-K48 HydrophobicContact CG2-CB 3.98Å; I37-K48 PolarHBondContact N-O 3.04Å; I37-K48 PolarHBondContact O-N 3.33Å; I37-F50 HydrophobicContact CG2-CE2 4.07Å; I37-Y333 HydrophobicContact CD1-CD2 3.59Å; I37-Y333 HydrophobicContact CD1-CE2 3.69Å; I37-Y333 HydrophobicContact CD1-CG 4.48Å; I37-Y333 HydrophobicContact CG1-CD2 3.83Å; I37-Y333 HydrophobicContact CG1-CE2 3.72Å; I37-Y333 HydrophobicContact CG2-CE2 4.42Å; I37-T336 HydrophobicContact CD1-CG2 3.86Å; I37-L337 HydrophobicContact CD1-CB 4.18Å; I37-L337 HydrophobicContact CG2-CD1 4.05Å; I37-L340 HydrophobicContact CB-CD1 3.89Å; I37-L340 HydrophobicContact CD1-CD1 4.14Å; I37-L340 HydrophobicContact CG2-CD1 3.79Å |
| 38 | S | 94 | Very high | 89.6 | Confident | 45 Ų | 45 | 71.6 Ų | 71.6 | 32% | 0.315 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 136 | -179.1 | -63.3 | 0 | 0 | 0 | 0 | 111.7 | V27 P40 Y333 | V27-S38 WeakPolarHBondContact CB-O 3.23Å; V27-S38 PolarHBondContact O-N 3.34Å; S38-P40 VanDerWaalsContact O-CD 3.29Å; S38-P40 WeakPolarHBondContact O-CD 3.3Å; S38-Y333 VanDerWaalsContact O-CD2 3.26Å; S38-Y333 WeakPolarHBondContact O-CD2 3.49Å; S38-Y333 WeakPolarHBondContact O-CE2 3.38Å |
| 39 | N | 91.3 | Very high | 89.6 | Confident | 8 Ų | 8 | 75.5 Ų | 75.5 | 4% | 0.043 | 42% | 0.42 | C | S | . | . | trans | -81.9 | 112.8 | 177.7 | -171.4 | -17.9 | 0 | 0 | 0 | 111.2 | K41 Q42 Y333 | N39-K41 PolarHBondContact O-N 3.38Å; N39-K41 WeakPolarHBondContact OD1-CB 3.17Å; N39-K41 PolarHBondContact OD1-N 2.82Å; N39-Q42 HydrophobicContact CB-CB 4.29Å; N39-Q42 PolarHBondContact ND2-OE1 3.26Å; N39-Q42 CarbonylContact O-C 3.53Å; N39-Q42 VanDerWaalsContact O-C 3.32Å; N39-Q42 PolarHBondContact O-N 3.26Å; N39-Q42 PolarHBondContact OD1-N 3.5Å; N39-Y333 VanDerWaalsContact CA-CE2 3.49Å; N39-Y333 HydrophobicContact CB-CE1 4.16Å; N39-Y333 HydrophobicContact CB-CE2 3.97Å | ||
| 40 | P | 82.3 | Confident | 89.8 | Confident | 60 Ų | 60 | 70.7 Ų | 70.7 | 39% | 0.39 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -25.6 | -179.7 | 29.2 | -35.4 | 0 | 0 | 0 | 112.6 | V27 S38 D330 Y333 | V27-P40 HydrophobicContact CG1-CB 4.34Å; V27-P40 HydrophobicContact CG1-CG 4.31Å; S38-P40 VanDerWaalsContact O-CD 3.29Å; S38-P40 WeakPolarHBondContact O-CD 3.3Å; P40-D330 HydrophobicContact CB-CB 3.92Å; P40-D330 HydrophobicContact CG-CB 3.92Å; P40-Y333 HydrophobicContact CG-CG 4.48Å |
| 41 | K | 84.9 | Confident | 89.9 | Confident | 173 Ų | 173 | 72.4 Ų | 72.4 | 75% | 0.752 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -21.5 | 178.3 | -61.5 | 177.7 | -179.5 | 175.7 | 0 | 112.7 | N39 | N39-K41 PolarHBondContact O-N 3.38Å; N39-K41 WeakPolarHBondContact OD1-CB 3.17Å; N39-K41 PolarHBondContact OD1-N 2.82Å |
| 42 | Q | 83.3 | Confident | 90.1 | Very high | 99 Ų | 99 | 64.5 Ų | 64.5 | 46% | 0.463 | 37% | 0.373 | S | S | . | . | trans | -139.9 | 66.9 | -176.8 | -59.8 | 171.8 | -85.5 | 0 | 0 | 111.8 | N39 K44 D45 | N39-Q42 HydrophobicContact CB-CB 4.29Å; N39-Q42 PolarHBondContact ND2-OE1 3.26Å; N39-Q42 CarbonylContact O-C 3.53Å; N39-Q42 VanDerWaalsContact O-C 3.32Å; N39-Q42 PolarHBondContact O-N 3.26Å; N39-Q42 PolarHBondContact OD1-N 3.5Å; Q42-K44 PolarHBondContact O-N 3.41Å; Q42-D45 HydrophobicContact CB-CB 4.44Å; Q42-D45 PolarHBondContact NE2-OD2 2.89Å; Q42-D45 PolarHBondContact O-N 2.87Å; Q42-D45 VanDerWaalsContact O-N 3.15Å | ||
| 43 | P | 76.5 | Confident | 90.3 | Very high | 110 Ų | 110 | 63.7 Ų | 63.7 | 71% | 0.714 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -4.4 | -179.7 | 27.7 | -36.5 | 0 | 0 | 0 | 114.4 | ||
| 44 | K | 76 | Confident | 90.5 | Very high | 200 Ų | 200 | 62.6 Ų | 62.6 | 87% | 0.87 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -18.5 | 175.5 | -65.9 | -170.9 | 177.1 | -174 | 0 | 113.9 | Q42 G46 | Q42-K44 PolarHBondContact O-N 3.41Å; K44-G46 PolarHBondContact O-N 3.42Å |
| 45 | D | 76.9 | Confident | 90.5 | Very high | 105 Ų | 105 | 61.7 Ų | 61.7 | 56% | 0.561 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -86.1 | 2.3 | -174.2 | -62.9 | 2 | 0 | 0 | 0 | 112.4 | Q42 | Q42-D45 HydrophobicContact CB-CB 4.44Å; Q42-D45 PolarHBondContact NE2-OD2 2.89Å; Q42-D45 PolarHBondContact O-N 2.87Å; Q42-D45 VanDerWaalsContact O-N 3.15Å |
| 46 | G | 81.4 | Confident | 90.5 | Very high | 40 Ų | 40 | 62.2 Ų | 62.2 | 41% | 0.412 | 34% | 0.341 | S | S | . | . | trans | 79.9 | 172.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | K44 | K44-G46 PolarHBondContact O-N 3.42Š| ||
| 47 | A | 89.3 | Confident | 90.6 | Very high | 51 Ų | 51 | 63 Ų | 63 | 42% | 0.421 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 143 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | C36 I37 | C36-A47 HydrophobicContact CB-CB 4.41Å; I37-A47 WeakPolarHBondContact O-CA 3.37Å |
| 48 | K | 94.8 | Very high | 90.5 | Very high | 75 Ų | 75 | 63.1 Ų | 63.1 | 33% | 0.326 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 118.9 | 174.4 | -65.4 | 165.8 | -173.8 | 161.2 | 0 | 108.4 | C36 I37 F50 Y333 L337 | C36-K48 CarbonylContact C-O 3.56Å; C36-K48 WeakPolarHBondContact CA-O 3.25Å; I37-K48 HydrophobicContact CG2-CB 3.98Å; I37-K48 PolarHBondContact N-O 3.04Å; I37-K48 PolarHBondContact O-N 3.33Å; K48-F50 HydrophobicContact CB-CE2 4.06Å; K48-Y333 PolarHBondContact NZ-OH 2.7Å; K48-L337 HydrophobicContact CD-CD1 3.91Å; K48-L337 HydrophobicContact CD-CD2 4.38Å |
| 49 | T | 96.3 | Very high | 90.5 | Very high | 83 Ų | 83 | 62.2 Ų | 62.2 | 51% | 0.509 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 138.3 | 179.8 | -52.3 | 0 | 0 | 0 | 0 | 110.9 | T35 C36 | T35-T49 WeakPolarHBondContact O-CA 3.45Å; C36-T49 PolarHBondContact SG-OG1 3.2Å |
| 50 | F | 97.4 | Very high | 90.4 | Very high | 26 Ų | 26 | 64.1 Ų | 64.1 | 11% | 0.114 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 149 | 173.5 | -60.1 | -94.3 | 0 | 0 | 0 | 108.9 | S34 T35 I37 K48 F52 L337 L340 R341 D344 | S34-F50 CarbonylContact C-O 3.56Å; S34-F50 VanDerWaalsContact CA-O 3.32Å; S34-F50 WeakPolarHBondContact CA-O 3.25Å; T35-F50 PolarHBondContact N-O 2.89Å; T35-F50 PolarHBondContact O-N 3.44Å; I37-F50 HydrophobicContact CG2-CE2 4.07Å; K48-F50 HydrophobicContact CB-CE2 4.06Å; F50-F52 HydrophobicContact CB-CD2 4.4Å; F50-F52 HydrophobicContact CB-CE1 4.44Å; F50-F52 HydrophobicContact CB-CE2 3.45Å; F50-F52 VanDerWaalsContact CB-CE2 3.45Å; F50-F52 HydrophobicContact CB-CZ 3.48Å; F50-F52 VanDerWaalsContact CB-CZ 3.48Å; F50-F52 HydrophobicContact CD1-CZ 4.5Å; F50-F52 HydrophobicContact CG-CE2 4.44Å; F50-F52 HydrophobicContact CG-CZ 4.17Å; F50-L337 HydrophobicContact CE2-CD1 4.04Å; F50-L337 HydrophobicContact CZ-CD1 3.84Å; F50-L340 HydrophobicContact CD1-CB 4.46Å; F50-L340 HydrophobicContact CD2-CB 3.95Å; F50-L340 HydrophobicContact CD2-CD1 4.04Å; F50-L340 HydrophobicContact CD2-CD2 4.31Å; F50-L340 HydrophobicContact CD2-CG 4.34Å; F50-L340 HydrophobicContact CE1-CB 4.36Å; F50-L340 HydrophobicContact CE2-CB 3.84Å; F50-L340 HydrophobicContact CE2-CD1 4.01Å; F50-L340 HydrophobicContact CE2-CG 4.47Å; F50-L340 HydrophobicContact CG-CB 4.27Å; F50-L340 HydrophobicContact CZ-CB 4.05Å; F50-R341 HydrophobicContact CE1-CG 4.05Å; F50-R341 HydrophobicContact CZ-CG 4.03Å; F50-D344 HydrophobicContact CD1-CB 4.13Å |
| 51 | T | 97.2 | Very high | 90.6 | Very high | 72 Ų | 72 | 65.1 Ų | 65.1 | 44% | 0.442 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 110.4 | -176.8 | -54.2 | 0 | 0 | 0 | 0 | 111.7 | N33 S34 K347 | N33-T51 HydrophobicContact CB-CG2 4.44Å; N33-T51 WeakPolarHBondContact O-CA 3.3Å; S34-T51 PolarHBondContact OG-OG1 2.91Å; S34-T51 VanDerWaalsContact OG-OG1 3.04Å; T51-K347 PolarHBondContact O-NZ 3.43Å |
| 52 | F | 97.1 | Very high | 90.5 | Very high | 2 Ų | 2 | 61.1 Ų | 61.1 | 1% | 0.009 | 34% | 0.34 | C | S | . | . | trans | -99.2 | -170.4 | -173.9 | -60.3 | -68.6 | 0 | 0 | 0 | 110.8 | V8 V10 N33 F50 Y54 L340 A343 D344 K347 | V8-F52 HydrophobicContact CB-CD1 4.43Å; V8-F52 HydrophobicContact CG1-CD1 3.68Å; V8-F52 HydrophobicContact CG1-CE1 4.25Å; V8-F52 WeakPolarHBondContact O-CB 3.47Å; V10-F52 HydrophobicContact CB-CD2 4.12Å; V10-F52 HydrophobicContact CB-CE2 4.29Å; V10-F52 HydrophobicContact CG1-CD1 3.89Å; V10-F52 HydrophobicContact CG1-CD2 3.51Å; V10-F52 HydrophobicContact CG1-CE1 3.91Å; V10-F52 HydrophobicContact CG1-CE2 3.51Å; V10-F52 HydrophobicContact CG1-CG 3.69Å; V10-F52 HydrophobicContact CG1-CZ 3.72Å; V10-F52 HydrophobicContact CG2-CD2 3.41Å; V10-F52 VanDerWaalsContact CG2-CD2 3.41Å; V10-F52 HydrophobicContact CG2-CE2 3.79Å; V10-F52 HydrophobicContact CG2-CG 4.13Å; N33-F52 PolarHBondContact O-N 3.23Å; F50-F52 HydrophobicContact CB-CD2 4.4Å; F50-F52 HydrophobicContact CB-CE1 4.44Å; F50-F52 HydrophobicContact CB-CE2 3.45Å; F50-F52 VanDerWaalsContact CB-CE2 3.45Å; F50-F52 HydrophobicContact CB-CZ 3.48Å; F50-F52 VanDerWaalsContact CB-CZ 3.48Å; F50-F52 HydrophobicContact CD1-CZ 4.5Å; F50-F52 HydrophobicContact CG-CE2 4.44Å; F50-F52 HydrophobicContact CG-CZ 4.17Å; F52-Y54 WeakPolarHBondContact CB-O 3.33Å; F52-L340 HydrophobicContact CE2-CD2 3.57Å; F52-L340 HydrophobicContact CZ-CD2 3.73Å; F52-A343 HydrophobicContact CD1-CB 4.29Å; F52-A343 HydrophobicContact CE1-CB 3.58Å; F52-A343 HydrophobicContact CZ-CB 4.15Å; F52-D344 HydrophobicContact CE1-CB 4.43Å; F52-K347 VanDerWaalsContact C-NZ 3.26Å; F52-K347 PolarHBondContact O-NZ 2.81Å | ||
| 53 | D | 96.9 | Very high | 90.5 | Very high | 43 Ų | 43 | 63.7 Ų | 63.7 | 23% | 0.23 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -86.6 | -28.4 | 171.7 | -54.2 | -47.7 | 0 | 0 | 0 | 110.6 | V8 N33 K347 | V8-D53 PolarHBondContact N-OD2 2.95Å; V8-D53 WeakPolarHBondContact O-CB 3.13Å; V8-D53 PolarHBondContact O-N 3.41Å; N33-D53 PolarHBondContact ND2-O 3.45Å; D53-K347 VanDerWaalsContact CG-CE 3.46Å; D53-K347 WeakPolarHBondContact OD1-CE 3.29Å; D53-K347 IonicContact OD1-NZ 3.65Å; D53-K347 PolarHBondContact OD1-NZ 2.82Å; D53-K347 WeakPolarHBondContact OD2-CE 3.18Å |
| 54 | Y | 97.7 | Very high | 91 | Very high | 56 Ų | 56 | 60.5 Ų | 60.5 | 22% | 0.22 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 146 | 168.1 | -56.3 | -96.3 | 0 | 0 | 0 | 110.2 | A9 V10 F52 Y56 D76 I77 | A9-Y54 WeakPolarHBondContact CA-O 3.36Å; A9-Y54 HydrophobicContact CB-CD2 4.49Å; V10-Y54 PolarHBondContact N-O 3.47Å; V10-Y54 VanDerWaalsContact N-O 3.07Å; F52-Y54 WeakPolarHBondContact CB-O 3.33Å; Y54-Y56 HydrophobicContact CD1-CE1 4.25Å; Y54-Y56 HydrophobicContact CG-CE1 4.36Å; Y54-Y56 AromaticContact CG-CZ 3.9Å; Y54-D76 HydrophobicContact CD1-CB 3.94Å; Y54-D76 HydrophobicContact CE1-CB 3.57Å; Y54-D76 PolarHBondContact OH-O 3.02Å; Y54-I77 HydrophobicContact CD2-CD1 3.82Å; Y54-I77 HydrophobicContact CE2-CD1 3.72Å |
| 55 | S | 97.9 | Very high | 91.3 | Very high | 17 Ų | 17 | 60.3 Ų | 60.3 | 12% | 0.119 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 100.3 | 171.1 | -68.4 | 0 | 0 | 0 | 0 | 109.5 | G32 N33 T35 W57 | G32-S55 WeakPolarHBondContact O-CB 3.36Å; N33-S55 PolarHBondContact O-OG 3.42Å; T35-S55 WeakPolarHBondContact OG1-CB 3.37Å; T35-S55 PolarHBondContact OG1-OG 3.05Å; S55-W57 PolarHBondContact O-N 3.29Å |
| 56 | Y | 97.7 | Very high | 91.8 | Very high | 10 Ų | 10 | 60.8 Ų | 60.8 | 4% | 0.039 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 109 | -172.7 | -63 | -54.3 | 0 | 0 | 0 | 112.2 | A9 V10 R11 V12 Y54 S58 A68 V73 D76 | A9-Y56 HydrophobicContact CB-CD2 4.16Å; A9-Y56 HydrophobicContact CB-CE2 3.6Å; V10-Y56 PolarHBondContact O-N 3.02Å; R11-Y56 WeakPolarHBondContact CA-O 3.28Å; R11-Y56 HydrophobicContact CB-CD2 4.28Å; V12-Y56 PolarHBondContact N-O 3.14Å; Y54-Y56 HydrophobicContact CD1-CE1 4.25Å; Y54-Y56 HydrophobicContact CG-CE1 4.36Å; Y54-Y56 AromaticContact CG-CZ 3.9Å; Y56-S58 PolarHBondContact O-N 2.66Å; Y56-A68 HydrophobicContact CD1-CB 3.75Å; Y56-A68 HydrophobicContact CG-CB 4.03Å; Y56-V73 HydrophobicContact CD1-CG2 4.08Å; Y56-V73 HydrophobicContact CD2-CG1 4.39Å; Y56-V73 HydrophobicContact CD2-CG2 3.84Å; Y56-V73 HydrophobicContact CE1-CG2 4.21Å; Y56-V73 HydrophobicContact CE2-CB 4.37Å; Y56-V73 HydrophobicContact CE2-CG1 3.95Å; Y56-V73 HydrophobicContact CE2-CG2 3.96Å; Y56-V73 HydrophobicContact CG-CG2 3.9Å; Y56-D76 HydrophobicContact CE1-CB 4.49Å; Y56-D76 WeakPolarHBondContact CE1-OD2 3.31Å; Y56-D76 WeakPolarHBondContact OH-CB 3.42Å; Y56-D76 PolarHBondContact OH-OD2 3.25Å |
| 57 | W | 96.8 | Very high | 92.3 | Very high | 48 Ų | 48 | 60.8 Ų | 60.8 | 18% | 0.182 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 91.7 | 171 | -178.1 | -101.9 | 0 | 0 | 0 | 110.2 | V12 I28 M30 S55 H59 T60 D64 F67 A68 | V12-W57 HydrophobicContact CG1-CD2 4.36Å; V12-W57 HydrophobicContact CG1-CE3 3.57Å; V12-W57 HydrophobicContact CG1-CZ3 4.06Å; I28-W57 HydrophobicContact CG2-CZ3 4.48Å; M30-W57 HydrophobicContact CB-CE3 4.29Å; M30-W57 HydrophobicContact CG-CE3 4.28Å; M30-W57 HydrophobicContact SD-CB 4.29Å; M30-W57 HydrophobicContact SD-CE3 4.47Å; S55-W57 PolarHBondContact O-N 3.29Å; W57-H59 HydrophobicContact CD2-CB 4Å; W57-H59 HydrophobicContact CE3-CB 4.13Å; W57-H59 HydrophobicContact CH2-CB 3.88Å; W57-H59 AromaticContact CH2-CD2 3.63Å; W57-H59 HydrophobicContact CZ2-CB 3.75Å; W57-H59 AromaticContact CZ2-CD2 3.68Å; W57-H59 HydrophobicContact CZ3-CB 4.06Å; W57-T60 HydrophobicContact CZ2-CG2 4.14Å; W57-T60 PolarHBondContact NE1-OG1 3.44Å; W57-T60 VanDerWaalsContact NE1-OG1 3.15Å; W57-D64 PolarHBondContact NE1-OD2 3.46Å; W57-F67 WeakPolarHBondContact O-CA 3.47Å; W57-A68 PolarHBondContact O-N 3.42Å |
| 58 | S | 95.5 | Very high | 92.6 | Very high | 3 Ų | 3 | 58.7 Ų | 58.7 | 2% | 0.021 | 31% | 0.305 | C | S | . | . | trans | -105.2 | 27.9 | 171.7 | -47.8 | 0 | 0 | 0 | 0 | 111.1 | R11 V12 R13 P14 Y56 A68 | R11-S58 PolarHBondContact NE-OG 2.97Å; R11-S58 PolarHBondContact NH2-OG 3.1Å; V12-S58 CarbonylContact O-C 3.55Å; V12-S58 WeakPolarHBondContact O-CA 3.32Å; V12-S58 VanDerWaalsContact O-CB 3.25Å; V12-S58 WeakPolarHBondContact O-CB 3.22Å; V12-S58 PolarHBondContact O-N 3.24Å; R13-S58 CarbonylContact C-O 3.59Å; P14-S58 WeakPolarHBondContact CD-O 3.45Å; P14-S58 VanDerWaalsContact CG-O 3.25Å; P14-S58 WeakPolarHBondContact CG-O 3.44Å; Y56-S58 PolarHBondContact O-N 2.66Å; S58-A68 PolarHBondContact OG-O 2.85Å | ||
| 59 | H | 93.1 | Very high | 92.6 | Very high | 26 Ų | 26 | 57.3 Ų | 57.3 | 12% | 0.12 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -84.9 | -29.8 | -171.5 | -177.1 | 60.7 | 0 | 0 | 0 | 114.5 | V12 R13 P14 F15 W57 P328 | V12-H59 HydrophobicContact CG1-CB 4.26Å; V12-H59 PolarHBondContact O-N 2.76Å; R13-H59 PolarHBondContact O-ND1 3.47Å; P14-H59 VanDerWaalsContact CA-O 3.31Å; P14-H59 WeakPolarHBondContact CA-O 3.44Å; P14-H59 WeakPolarHBondContact CB-O 3.48Å; F15-H59 AromaticContact CD2-CE1 3.61Å; F15-H59 AromaticContact CE2-CE1 3.51Å; F15-H59 AromaticContact CE2-NE2 3.61Å; F15-H59 AromaticContact CG-CE1 3.97Å; F15-H59 AromaticContact CZ-CE1 3.78Å; W57-H59 HydrophobicContact CD2-CB 4Å; W57-H59 HydrophobicContact CE3-CB 4.13Å; W57-H59 HydrophobicContact CH2-CB 3.88Å; W57-H59 AromaticContact CH2-CD2 3.63Å; W57-H59 HydrophobicContact CZ2-CB 3.75Å; W57-H59 AromaticContact CZ2-CD2 3.68Å; W57-H59 HydrophobicContact CZ3-CB 4.06Å; H59-P328 WeakPolarHBondContact CE1-CB 3.44Å; H59-P328 VanDerWaalsContact CE1-CG 3.46Å; H59-P328 WeakPolarHBondContact CE1-CG 3.46Å; H59-P328 WeakPolarHBondContact ND1-CB 3.3Å; H59-P328 WeakPolarHBondContact ND1-CG 3.18Å |
| 60 | T | 90.1 | Very high | 92.6 | Very high | 48 Ų | 48 | 53.7 Ų | 53.7 | 29% | 0.294 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -92.2 | -143 | -178.7 | 43.3 | 0 | 0 | 0 | 0 | 109.9 | W57 D64 F67 | W57-T60 HydrophobicContact CZ2-CG2 4.14Å; W57-T60 PolarHBondContact NE1-OG1 3.44Å; W57-T60 VanDerWaalsContact NE1-OG1 3.15Å; T60-D64 WeakPolarHBondContact CB-OD2 3.22Å; T60-D64 WeakPolarHBondContact CG2-OD2 3.45Å; T60-D64 WeakPolarHBondContact OG1-CB 3.46Å; T60-D64 PolarHBondContact OG1-OD2 3.38Å; T60-F67 WeakPolarHBondContact O-CE2 3.3Å |
| 61 | T | 85.6 | Confident | 92.5 | Very high | 81 Ų | 81 | 59 Ų | 59 | 50% | 0.497 | 31% | 0.305 | S | S | . | . | trans | -123.9 | 165.6 | -178.7 | 60.9 | 0 | 0 | 0 | 0 | 110 | E63 D64 F67 | T61-E63 WeakPolarHBondContact CB-OE2 3.49Å; T61-E63 PolarHBondContact O-N 3.43Å; T61-E63 PolarHBondContact OG1-OE2 2.95Å; T61-D64 WeakPolarHBondContact O-CB 3.24Å; T61-D64 PolarHBondContact O-N 2.87Å; T61-F67 WeakPolarHBondContact O-CB 3.46Å; T61-F67 WeakPolarHBondContact O-CD2 3.45Å; T61-F67 WeakPolarHBondContact O-CG 3.37Å | ||
| 62 | P | 83.9 | Confident | 92.4 | Very high | 89 Ų | 89 | 59.5 Ų | 59.5 | 58% | 0.578 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -10 | -175 | -25.2 | 36.5 | 0 | 0 | 0 | 116.3 | F67 | P62-F67 HydrophobicContact CB-CD1 4.25Å; P62-F67 HydrophobicContact CB-CE1 4.4Å; P62-F67 HydrophobicContact CG-CD1 4.33Å; P62-F67 HydrophobicContact CG-CE1 4.03Å; P62-F67 HydrophobicContact CG-CZ 4.39Å |
| 63 | E | 82.8 | Confident | 92.5 | Very high | 152 Ų | 152 | 59.4 Ų | 59.4 | 71% | 0.71 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -8.1 | 176.5 | -52 | 73.3 | -156.7 | 0 | 0 | 113.5 | T61 | T61-E63 WeakPolarHBondContact CB-OE2 3.49Å; T61-E63 PolarHBondContact O-N 3.43Å; T61-E63 PolarHBondContact OG1-OE2 2.95Å |
| 64 | D | 86.3 | Confident | 92.5 | Very high | 43 Ų | 43 | 58 Ų | 58 | 23% | 0.23 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -81.2 | 124.6 | 169.3 | 177.5 | -3.6 | 0 | 0 | 0 | 109.6 | W57 T60 T61 N66 F67 | W57-D64 PolarHBondContact NE1-OD2 3.46Å; T60-D64 WeakPolarHBondContact CB-OD2 3.22Å; T60-D64 WeakPolarHBondContact CG2-OD2 3.45Å; T60-D64 WeakPolarHBondContact OG1-CB 3.46Å; T60-D64 PolarHBondContact OG1-OD2 3.38Å; T61-D64 WeakPolarHBondContact O-CB 3.24Å; T61-D64 PolarHBondContact O-N 2.87Å; D64-N66 PolarHBondContact O-N 3.43Å; D64-N66 WeakPolarHBondContact OD1-CB 3.5Å; D64-N66 PolarHBondContact OD1-N 2.99Å; D64-N66 PolarHBondContact OD1-ND2 2.89Å; D64-F67 HydrophobicContact CB-CB 4.32Å; D64-F67 WeakPolarHBondContact O-CB 3.36Å; D64-F67 PolarHBondContact O-N 3.01Å |
| 65 | E | 83.6 | Confident | 92.5 | Very high | 197 Ų | 197 | 60.9 Ų | 60.9 | 92% | 0.921 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -21.7 | 178.7 | -63 | -174.6 | 150.4 | 0 | 0 | 113.3 | ||
| 66 | N | 85.8 | Confident | 92.4 | Very high | 114 Ų | 114 | 61.9 Ų | 61.9 | 61% | 0.61 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | 1.7 | 178.2 | -53.3 | -87.4 | 0 | 0 | 0 | 113.3 | D64 A68 | D64-N66 PolarHBondContact O-N 3.43Å; D64-N66 WeakPolarHBondContact OD1-CB 3.5Å; D64-N66 PolarHBondContact OD1-N 2.99Å; D64-N66 PolarHBondContact OD1-ND2 2.89Å; N66-A68 PolarHBondContact O-N 2.87Å |
| 67 | F | 93.4 | Very high | 92.4 | Very high | 41 Ų | 41 | 61.4 Ų | 61.4 | 18% | 0.18 | 31% | 0.31 | C | S | . | . | trans | -72.6 | 111 | -172.8 | -175.8 | -94.9 | 0 | 0 | 0 | 113.3 | W57 T60 T61 P62 D64 S69 | W57-F67 WeakPolarHBondContact O-CA 3.47Å; T60-F67 WeakPolarHBondContact O-CE2 3.3Å; T61-F67 WeakPolarHBondContact O-CB 3.46Å; T61-F67 WeakPolarHBondContact O-CD2 3.45Å; T61-F67 WeakPolarHBondContact O-CG 3.37Å; P62-F67 HydrophobicContact CB-CD1 4.25Å; P62-F67 HydrophobicContact CB-CE1 4.4Å; P62-F67 HydrophobicContact CG-CD1 4.33Å; P62-F67 HydrophobicContact CG-CE1 4.03Å; P62-F67 HydrophobicContact CG-CZ 4.39Å; D64-F67 HydrophobicContact CB-CB 4.32Å; D64-F67 WeakPolarHBondContact O-CB 3.36Å; D64-F67 PolarHBondContact O-N 3.01Å; F67-S69 PolarHBondContact O-N 3.34Å | ||
| 68 | A | 95.4 | Very high | 92.4 | Very high | 7 Ų | 7 | 59.1 Ų | 59.1 | 6% | 0.058 | 30% | 0.301 | C | S | . | . | trans | -76.8 | 92.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | R11 Y56 W57 S58 N66 | R11-A68 PolarHBondContact NH2-O 3.15Å; Y56-A68 HydrophobicContact CD1-CB 3.75Å; Y56-A68 HydrophobicContact CG-CB 4.03Å; W57-A68 PolarHBondContact O-N 3.42Å; S58-A68 PolarHBondContact OG-O 2.85Å; N66-A68 PolarHBondContact O-N 2.87Å | ||
| 69 | S | 95.1 | Very high | 92.5 | Very high | 46 Ų | 46 | 62 Ų | 62 | 32% | 0.322 | 31% | 0.314 | S | S | . | . | trans | -66.6 | 163.5 | 174.2 | 71 | 0 | 0 | 0 | 0 | 113.3 | F67 K71 Q72 V73 | F67-S69 PolarHBondContact O-N 3.34Å; S69-K71 PolarHBondContact O-N 2.7Å; S69-Q72 PolarHBondContact O-N 2.72Å; S69-Q72 VanDerWaalsContact O-N 3.15Å; S69-Q72 PolarHBondContact OG-N 2.83Å; S69-V73 PolarHBondContact O-N 3.47Å | ||
| 70 | Q | 95.8 | Very high | 92.7 | Very high | 7 Ų | 7 | 63.6 Ų | 63.6 | 3% | 0.033 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -52.7 | -42 | 172.7 | -64.1 | -69.2 | 83.9 | 0 | 0 | 112.4 | Q72 V73 Y74 Y105 Q115 E116 | Q70-Q72 VanDerWaalsContact C-N 3.34Å; Q70-Q72 PolarHBondContact O-N 2.96Å; Q70-V73 PolarHBondContact O-N 2.72Å; Q70-Y74 PolarHBondContact O-N 3.26Å; Q70-Y105 PolarHBondContact NE2-O 3.4Å; Q70-Y105 VanDerWaalsContact OE1-CE1 3.31Å; Q70-Q115 PolarHBondContact NE2-O 3.37Å; Q70-E116 WeakPolarHBondContact CB-O 3.33Å; Q70-E116 WeakPolarHBondContact CG-O 3.26Å; Q70-E116 PolarHBondContact NE2-O 2.91Å |
| 71 | K | 95.3 | Very high | 93 | Very high | 138 Ų | 138 | 61.5 Ų | 61.5 | 60% | 0.6 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -69.5 | -29.9 | -178.4 | -168.4 | 160.3 | -170.7 | 152.6 | 0 | 112.9 | S69 K75 | S69-K71 PolarHBondContact O-N 2.7Å; K71-K75 WeakPolarHBondContact O-CG 3.09Å; K71-K75 PolarHBondContact O-N 2.73Å |
| 72 | Q | 95.6 | Very high | 93.6 | Very high | 81 Ų | 81 | 57.7 Ų | 57.7 | 38% | 0.379 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -69.4 | -47.4 | 172.9 | -173.4 | 58.1 | 36.3 | 0 | 0 | 110.9 | S69 Q70 Y74 K75 D76 | S69-Q72 PolarHBondContact O-N 2.72Å; S69-Q72 VanDerWaalsContact O-N 3.15Å; S69-Q72 PolarHBondContact OG-N 2.83Å; Q70-Q72 VanDerWaalsContact C-N 3.34Å; Q70-Q72 PolarHBondContact O-N 2.96Å; Q72-Y74 VanDerWaalsContact C-N 3.26Å; Q72-Y74 PolarHBondContact O-N 3.17Å; Q72-K75 PolarHBondContact O-N 2.74Å; Q72-D76 PolarHBondContact NE2-OD1 2.89Å; Q72-D76 VanDerWaalsContact NE2-OD1 3.08Å; Q72-D76 PolarHBondContact NE2-OD2 3.37Å; Q72-D76 PolarHBondContact O-N 3.12Å |
| 73 | V | 97.4 | Very high | 94.2 | Very high | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.006 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.4 | -36 | 176.9 | -177.9 | 0 | 0 | 0 | 0 | 111.5 | Y56 S69 Q70 I77 T106 I118 I323 | Y56-V73 HydrophobicContact CD1-CG2 4.08Å; Y56-V73 HydrophobicContact CD2-CG1 4.39Å; Y56-V73 HydrophobicContact CD2-CG2 3.84Å; Y56-V73 HydrophobicContact CE1-CG2 4.21Å; Y56-V73 HydrophobicContact CE2-CB 4.37Å; Y56-V73 HydrophobicContact CE2-CG1 3.95Å; Y56-V73 HydrophobicContact CE2-CG2 3.96Å; Y56-V73 HydrophobicContact CG-CG2 3.9Å; S69-V73 PolarHBondContact O-N 3.47Å; Q70-V73 PolarHBondContact O-N 2.72Å; V73-I77 PolarHBondContact O-N 2.85Å; V73-T106 HydrophobicContact CG1-CG2 4.09Å; V73-I118 HydrophobicContact CG1-CD1 4.04Å; V73-I118 HydrophobicContact CG1-CG1 4.45Å; V73-I323 HydrophobicContact CG1-CD1 4.16Å |
| 74 | Y | 98.3 | Very high | 94.8 | Very high | 14 Ų | 14 | 51 Ų | 51 | 6% | 0.055 | 25% | 0.248 | C | C | . | . | I | π-helix | trans | -64.9 | -49.2 | 172.5 | -179.9 | -102.6 | 0 | 0 | 0 | 112.6 | Q70 Q72 D76 I77 G78 E79 I118 Q121 L122 D125 | Q70-Y74 PolarHBondContact O-N 3.26Å; Q72-Y74 VanDerWaalsContact C-N 3.26Å; Q72-Y74 PolarHBondContact O-N 3.17Å; Y74-D76 PolarHBondContact O-N 2.91Å; Y74-I77 PolarHBondContact O-N 3.49Å; Y74-G78 CarbonylContact O-C 3.5Å; Y74-G78 WeakPolarHBondContact O-CA 3.37Å; Y74-G78 PolarHBondContact O-N 3.43Å; Y74-E79 HydrophobicContact CE1-CB 4.08Å; Y74-E79 PolarHBondContact O-N 2.86Å; Y74-I118 HydrophobicContact CD2-CG2 4.5Å; Y74-Q121 HydrophobicContact CD1-CB 4.11Å; Y74-Q121 HydrophobicContact CD2-CB 3.59Å; Y74-Q121 HydrophobicContact CE1-CB 4.44Å; Y74-Q121 HydrophobicContact CE2-CB 3.98Å; Y74-Q121 HydrophobicContact CG-CB 3.69Å; Y74-Q121 HydrophobicContact CG-CG 4.4Å; Y74-L122 HydrophobicContact CE2-CB 3.88Å; Y74-D125 HydrophobicContact CE1-CB 4.37Å; Y74-D125 WeakPolarHBondContact CE1-OD2 3.33Å; Y74-D125 VanDerWaalsContact OH-CB 3.3Å; Y74-D125 WeakPolarHBondContact OH-CB 3.27Å; Y74-D125 PolarHBondContact OH-OD2 3.34Å |
| 75 | K | 97.3 | Very high | 95.3 | Very high | 115 Ų | 115 | 49 Ų | 49 | 50% | 0.5 | 24% | 0.237 | S | C | . | . | I | π-helix | trans | -60.1 | -42.2 | 179.3 | -78.5 | -177.2 | 167.3 | -161.2 | 0 | 113.9 | K71 Q72 | K71-K75 WeakPolarHBondContact O-CG 3.09Å; K71-K75 PolarHBondContact O-N 2.73Å; Q72-K75 PolarHBondContact O-N 2.74Å |
| 76 | D | 96.3 | Very high | 95.9 | Very high | 38 Ų | 38 | 41.3 Ų | 41.3 | 20% | 0.203 | 20% | 0.201 | C | C | . | . | I | π-helix | trans | -75.2 | -26.4 | -174.4 | -75.5 | -28.8 | 0 | 0 | 0 | 114 | Y54 Y56 Q72 Y74 | Y54-D76 HydrophobicContact CD1-CB 3.94Å; Y54-D76 HydrophobicContact CE1-CB 3.57Å; Y54-D76 PolarHBondContact OH-O 3.02Å; Y56-D76 HydrophobicContact CE1-CB 4.49Å; Y56-D76 WeakPolarHBondContact CE1-OD2 3.31Å; Y56-D76 WeakPolarHBondContact OH-CB 3.42Å; Y56-D76 PolarHBondContact OH-OD2 3.25Å; Q72-D76 PolarHBondContact NE2-OD1 2.89Å; Q72-D76 VanDerWaalsContact NE2-OD1 3.08Å; Q72-D76 PolarHBondContact NE2-OD2 3.37Å; Q72-D76 PolarHBondContact O-N 3.12Å; Y74-D76 PolarHBondContact O-N 2.91Å |
| 77 | I | 97.4 | Very high | 96.3 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | I | π-helix | trans | -127.6 | -54.6 | -175.3 | -61.3 | -66.9 | 0 | 0 | 0 | 111.9 | K7 Y54 V73 Y74 M81 I93 A321 I323 | K7-I77 HydrophobicContact CD-CD1 4.28Å; Y54-I77 HydrophobicContact CD2-CD1 3.82Å; Y54-I77 HydrophobicContact CE2-CD1 3.72Å; V73-I77 PolarHBondContact O-N 2.85Å; Y74-I77 PolarHBondContact O-N 3.49Å; I77-M81 HydrophobicContact CG2-CG 4.27Å; I77-M81 VanDerWaalsContact O-CB 3.25Å; I77-M81 WeakPolarHBondContact O-CB 3.41Å; I77-M81 WeakPolarHBondContact O-CG 3.42Å; I77-M81 PolarHBondContact O-N 3.26Å; I77-I93 HydrophobicContact CG2-CD1 4.22Å; I77-I93 HydrophobicContact CG2-CG2 4.45Å; I77-A321 HydrophobicContact CG2-CB 3.79Å; I77-I323 HydrophobicContact CG2-CD1 4.42Å |
| 78 | G | 97.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | I | π-helix | trans | -61.1 | -47.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y74 M81 L82 | Y74-G78 CarbonylContact O-C 3.5Å; Y74-G78 WeakPolarHBondContact O-CA 3.37Å; Y74-G78 PolarHBondContact O-N 3.43Å; G78-M81 PolarHBondContact O-N 2.89Å; G78-L82 WeakPolarHBondContact O-CB 3.26Å; G78-L82 PolarHBondContact O-N 3.22Å |
| 79 | E | 97.4 | Very high | 96.1 | Very high | 64 Ų | 64 | 39.7 Ų | 39.7 | 30% | 0.299 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -65.6 | -42.4 | 179.5 | 169.4 | 159.6 | -141.8 | 0 | 0 | 112.3 | Y74 M81 L82 L83 R129 | Y74-E79 HydrophobicContact CE1-CB 4.08Å; Y74-E79 PolarHBondContact O-N 2.86Å; E79-M81 VanDerWaalsContact C-N 3.33Å; E79-M81 PolarHBondContact O-N 3.4Å; E79-L82 PolarHBondContact O-N 3.48Å; E79-L83 HydrophobicContact CG-CD1 4.3Å; E79-L83 WeakPolarHBondContact O-CB 3.31Å; E79-L83 WeakPolarHBondContact O-CG 3.42Å; E79-L83 PolarHBondContact O-N 2.7Å; E79-R129 IonicContact OE1-CZ 2.7Å; E79-R129 IonicContact OE1-NH1 2.69Å; E79-R129 IonicContact OE1-NH2 2.69Å; E79-R129 PolarHBondContact OE1-NH2 3.31Å |
| 80 | E | 96 | Very high | 96.1 | Very high | 58 Ų | 58 | 38.1 Ų | 38.1 | 27% | 0.271 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -63.6 | -40 | 174.2 | -173.8 | -162.1 | -135.6 | 0 | 0 | 111.6 | K7 L83 H84 | K7-E80 WeakPolarHBondContact CD-OE2 3.3Å; K7-E80 WeakPolarHBondContact CE-OE1 2.82Å; K7-E80 VanDerWaalsContact CE-OE2 3.23Å; K7-E80 WeakPolarHBondContact CE-OE2 3.38Å; K7-E80 IonicContact NZ-OE1 3.8Å; K7-E80 PolarHBondContact NZ-OE1 2.78Å; K7-E80 IonicContact NZ-OE2 3.17Å; K7-E80 PolarHBondContact NZ-OE2 2.9Å; E80-L83 PolarHBondContact O-N 2.94Å; E80-H84 PolarHBondContact O-N 3.4Å; E80-H84 PolarHBondContact O-ND1 3.38Å |
| 81 | M | 97.3 | Very high | 96.1 | Very high | 5 Ų | 5 | 37.8 Ų | 37.8 | 3% | 0.025 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -70.5 | -36.1 | 178.9 | -70.2 | -68.2 | 140.6 | 0 | 0 | 111.4 | I77 G78 E79 H84 A85 V91 I93 R319 A321 | I77-M81 HydrophobicContact CG2-CG 4.27Å; I77-M81 VanDerWaalsContact O-CB 3.25Å; I77-M81 WeakPolarHBondContact O-CB 3.41Å; I77-M81 WeakPolarHBondContact O-CG 3.42Å; I77-M81 PolarHBondContact O-N 3.26Å; G78-M81 PolarHBondContact O-N 2.89Å; E79-M81 VanDerWaalsContact C-N 3.33Å; E79-M81 PolarHBondContact O-N 3.4Å; M81-H84 PolarHBondContact O-N 3.04Å; M81-A85 PolarHBondContact O-N 3.23Å; M81-V91 HydrophobicContact CB-CG1 3.69Å; M81-V91 HydrophobicContact CG-CG1 4.31Å; M81-V91 WeakPolarHBondContact O-CG2 3.46Å; M81-V91 HydrophobicContact SD-CG1 4.07Å; M81-I93 HydrophobicContact CB-CD1 3.87Å; M81-I93 HydrophobicContact CB-CG1 4.23Å; M81-I93 HydrophobicContact CG-CD1 4.01Å; M81-I93 HydrophobicContact CG-CG1 4.02Å; M81-R319 HydrophobicContact SD-CB 4.25Å; M81-A321 HydrophobicContact CE-CB 4.18Å; M81-A321 HydrophobicContact SD-CB 4.39Å |
| 82 | L | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.3 | -42.8 | 170.7 | -178.1 | 60.8 | 0 | 0 | 0 | 111.7 | G78 E79 H84 A85 F86 L122 D125 L126 I244 | G78-L82 WeakPolarHBondContact O-CB 3.26Å; G78-L82 PolarHBondContact O-N 3.22Å; E79-L82 PolarHBondContact O-N 3.48Å; L82-H84 VanDerWaalsContact C-N 3.34Å; L82-H84 PolarHBondContact O-N 3.02Å; L82-A85 WeakPolarHBondContact O-CB 3.39Å; L82-A85 PolarHBondContact O-N 3.3Å; L82-F86 HydrophobicContact CD1-CD2 4.1Å; L82-F86 HydrophobicContact CD1-CE2 3.88Å; L82-F86 HydrophobicContact CG-CD2 4.12Å; L82-F86 HydrophobicContact CG-CE2 4.05Å; L82-F86 WeakPolarHBondContact O-CD2 3.41Å; L82-F86 PolarHBondContact O-N 3.14Å; L82-L122 HydrophobicContact CB-CD1 4.47Å; L82-L122 HydrophobicContact CB-CG 4.37Å; L82-L122 HydrophobicContact CD1-CD2 4.18Å; L82-L122 HydrophobicContact CD1-CG 4.25Å; L82-D125 HydrophobicContact CD2-CB 3.73Å; L82-L126 HydrophobicContact CD1-CB 4Å; L82-L126 HydrophobicContact CD1-CD1 3.97Å; L82-I244 HydrophobicContact CD1-CD1 4.43Å |
| 83 | L | 96.5 | Very high | 96.4 | Very high | 81 Ų | 81 | 27.4 Ų | 27.4 | 42% | 0.424 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -57.7 | -43.9 | 174.4 | -78 | 166.1 | 0 | 0 | 0 | 112 | E79 E80 A85 F86 E87 | E79-L83 HydrophobicContact CG-CD1 4.3Å; E79-L83 WeakPolarHBondContact O-CB 3.31Å; E79-L83 WeakPolarHBondContact O-CG 3.42Å; E79-L83 PolarHBondContact O-N 2.7Å; E80-L83 PolarHBondContact O-N 2.94Å; L83-A85 VanDerWaalsContact C-N 3.27Å; L83-A85 PolarHBondContact O-N 3.1Å; L83-F86 PolarHBondContact O-N 3.31Å; L83-E87 PolarHBondContact O-N 3.08Å |
| 84 | H | 96.1 | Very high | 96.3 | Very high | 21 Ų | 21 | 27.5 Ų | 27.5 | 10% | 0.097 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.4 | -30.9 | 174.6 | -74.1 | 104.6 | 0 | 0 | 0 | 113.2 | E80 M81 L82 E87 G88 Y89 V91 R319 | E80-H84 PolarHBondContact O-N 3.4Å; E80-H84 PolarHBondContact O-ND1 3.38Å; M81-H84 PolarHBondContact O-N 3.04Å; L82-H84 VanDerWaalsContact C-N 3.34Å; L82-H84 PolarHBondContact O-N 3.02Å; H84-E87 IonicContact CD2-OE2 3.95Å; H84-E87 PolarHBondContact O-N 2.91Å; H84-G88 PolarHBondContact O-N 2.79Å; H84-Y89 HydrophobicContact CB-CD2 4.34Å; H84-Y89 AromaticContact CD2-CD2 4Å; H84-Y89 WeakPolarHBondContact O-CB 3.42Å; H84-Y89 PolarHBondContact O-N 2.74Å; H84-V91 HydrophobicContact CB-CG2 3.94Å; H84-R319 HydrophobicContact CB-CB 4.41Å; H84-R319 HydrophobicContact CB-CG 4.13Å; H84-R319 VanDerWaalsContact NE2-CZ 3.34Å; H84-R319 PolarHBondContact NE2-NH1 2.94Å |
| 85 | A | 96.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -69.4 | -42.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | M81 L82 L83 E87 G88 V91 S242 I244 | M81-A85 PolarHBondContact O-N 3.23Å; L82-A85 WeakPolarHBondContact O-CB 3.39Å; L82-A85 PolarHBondContact O-N 3.3Å; L83-A85 VanDerWaalsContact C-N 3.27Å; L83-A85 PolarHBondContact O-N 3.1Å; A85-E87 VanDerWaalsContact C-N 3.31Å; A85-E87 PolarHBondContact O-N 2.91Å; A85-G88 WeakPolarHBondContact O-CA 3.32Å; A85-G88 PolarHBondContact O-N 2.91Å; A85-V91 HydrophobicContact CB-CG2 4.15Å; A85-S242 WeakPolarHBondContact O-CB 3.34Å; A85-S242 PolarHBondContact O-OG 2.77Å; A85-I244 HydrophobicContact CB-CD1 3.57Å; A85-I244 HydrophobicContact CB-CG1 3.75Å |
| 86 | F | 95.6 | Very high | 96.2 | Very high | 36 Ų | 36 | 21.9 Ų | 21.9 | 16% | 0.158 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -62 | -34.6 | 170.5 | -84.8 | -87.5 | 0 | 0 | 0 | 112.7 | L82 L83 G88 L126 R129 T130 Y140 F225 Q227 | L82-F86 HydrophobicContact CD1-CD2 4.1Å; L82-F86 HydrophobicContact CD1-CE2 3.88Å; L82-F86 HydrophobicContact CG-CD2 4.12Å; L82-F86 HydrophobicContact CG-CE2 4.05Å; L82-F86 WeakPolarHBondContact O-CD2 3.41Å; L82-F86 PolarHBondContact O-N 3.14Å; L83-F86 PolarHBondContact O-N 3.31Å; F86-G88 PolarHBondContact O-N 3.19Å; F86-L126 HydrophobicContact CE2-CD1 3.8Å; F86-L126 HydrophobicContact CZ-CD1 3.94Å; F86-R129 HydrophobicContact CE1-CB 4.3Å; F86-R129 HydrophobicContact CE2-CB 3.99Å; F86-R129 HydrophobicContact CZ-CB 3.55Å; F86-T130 HydrophobicContact CE1-CG2 4.35Å; F86-T130 HydrophobicContact CZ-CG2 4.11Å; F86-Y140 AromaticContact CE1-CE1 3.98Å; F86-Y140 HydrophobicContact CE1-CE1 3.98Å; F86-F225 AromaticContact CD1-CE1 3.77Å; F86-F225 HydrophobicContact CD1-CE1 3.77Å; F86-F225 AromaticContact CD1-CZ 3.98Å; F86-F225 HydrophobicContact CD1-CZ 3.98Å; F86-F225 HydrophobicContact CD2-CE1 4.15Å; F86-F225 AromaticContact CE1-CE1 3.77Å; F86-F225 HydrophobicContact CE1-CE1 3.77Å; F86-F225 AromaticContact CE1-CZ 3.52Å; F86-F225 HydrophobicContact CE1-CZ 3.52Å; F86-F225 HydrophobicContact CE2-CE1 4.14Å; F86-F225 HydrophobicContact CE2-CZ 4.32Å; F86-F225 AromaticContact CG-CE1 3.98Å; F86-F225 HydrophobicContact CG-CE1 3.98Å; F86-F225 AromaticContact CZ-CE1 3.95Å; F86-F225 HydrophobicContact CZ-CE1 3.95Å; F86-F225 AromaticContact CZ-CZ 3.7Å; F86-F225 HydrophobicContact CZ-CZ 3.7Å; F86-Q227 PolarHBondContact O-NE2 3.34Å; F86-Q227 PolarHBondContact O-OE1 2.81Å |
| 87 | E | 93.6 | Very high | 96.2 | Very high | 96 Ų | 96 | 20 Ų | 20 | 45% | 0.449 | 10% | 0.095 | S | C | . | . | H | α-helix | trans | -64.7 | -21.7 | 170.2 | -70.9 | -176.8 | 153.4 | 0 | 0 | 113.1 | L83 H84 A85 Y89 K240 I355 | L83-E87 PolarHBondContact O-N 3.08Å; H84-E87 IonicContact CD2-OE2 3.95Å; H84-E87 PolarHBondContact O-N 2.91Å; A85-E87 VanDerWaalsContact C-N 3.31Å; A85-E87 PolarHBondContact O-N 2.91Å; E87-Y89 HydrophobicContact CB-CD2 3.81Å; E87-Y89 HydrophobicContact CB-CE2 3.91Å; E87-Y89 WeakPolarHBondContact OE2-CE2 3.28Å; E87-K240 WeakPolarHBondContact O-CE 3.07Å; E87-K240 PolarHBondContact O-NZ 2.82Å; E87-I355 WeakPolarHBondContact O-CG2 3.23Å |
| 88 | G | 91.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 99.9 | 18.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | H84 A85 F86 I355 N356 | H84-G88 PolarHBondContact O-N 2.79Å; A85-G88 WeakPolarHBondContact O-CA 3.32Å; A85-G88 PolarHBondContact O-N 2.91Å; F86-G88 PolarHBondContact O-N 3.19Å; G88-I355 CarbonylContact O-C 3.56Å; G88-I355 WeakPolarHBondContact O-CA 3.26Å; G88-N356 PolarHBondContact O-N 2.99Å; G88-N356 PolarHBondContact O-ND2 2.88Å |
| 89 | Y | 94.2 | Very high | 95.4 | Very high | 31 Ų | 31 | 22.7 Ų | 22.7 | 12% | 0.122 | 11% | 0.11 | C | C | . | . | B | Isolated β-bridge | trans | -83.6 | 151.8 | 170.7 | -64 | -80.5 | 0 | 0 | 0 | 111 | H84 E87 S242 R319 A353 I354 I355 | H84-Y89 HydrophobicContact CB-CD2 4.34Å; H84-Y89 AromaticContact CD2-CD2 4Å; H84-Y89 WeakPolarHBondContact O-CB 3.42Å; H84-Y89 PolarHBondContact O-N 2.74Å; E87-Y89 HydrophobicContact CB-CD2 3.81Å; E87-Y89 HydrophobicContact CB-CE2 3.91Å; E87-Y89 WeakPolarHBondContact OE2-CE2 3.28Å; Y89-S242 WeakPolarHBondContact O-CB 3.45Å; Y89-R319 HydrophobicContact CG-CG 4.13Å; Y89-A353 HydrophobicContact CD1-CB 3.7Å; Y89-A353 HydrophobicContact CE1-CB 4.11Å; Y89-I354 VanDerWaalsContact CD1-C 3.43Å; Y89-I354 WeakPolarHBondContact CD1-O 3.47Å; Y89-I355 HydrophobicContact CD1-CG1 4.2Å; Y89-I355 HydrophobicContact CD2-CG1 4.32Å; Y89-I355 HydrophobicContact CE1-CG1 3.74Å; Y89-I355 HydrophobicContact CE2-CD1 4.33Å; Y89-I355 HydrophobicContact CE2-CG1 3.84Å; Y89-I355 HydrophobicContact CG-CG1 4.48Å |
| 90 | N | 94.7 | Very high | 95 | Very high | 13 Ų | 13 | 21.9 Ų | 21.9 | 7% | 0.07 | 12% | 0.118 | C | C | . | . | trans | -67.6 | 150.3 | 158.5 | -67 | -22.6 | 0 | 0 | 0 | 110.2 | K243 N317 S318 R319 N356 | N90-K243 WeakPolarHBondContact OD1-CB 3.45Å; N90-K243 PolarHBondContact OD1-N 3.37Å; N90-K243 VanDerWaalsContact OD1-N 3.11Å; N90-N317 VanDerWaalsContact CB-O 3.31Å; N90-N317 WeakPolarHBondContact CB-O 3.15Å; N90-N317 PolarHBondContact ND2-O 2.93Å; N90-S318 CarbonylContact O-C 3.6Å; N90-S318 WeakPolarHBondContact O-CA 3.3Å; N90-R319 PolarHBondContact O-N 2.62Å; N90-N356 PolarHBondContact OD1-ND2 3.17Å | ||
| 91 | V | 96.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 141.6 | -169.6 | 168.7 | 0 | 0 | 0 | 0 | 109.5 | M81 H84 A85 K243 I244 S245 S318 R319 | M81-V91 HydrophobicContact CB-CG1 3.69Å; M81-V91 HydrophobicContact CG-CG1 4.31Å; M81-V91 WeakPolarHBondContact O-CG2 3.46Å; M81-V91 HydrophobicContact SD-CG1 4.07Å; H84-V91 HydrophobicContact CB-CG2 3.94Å; A85-V91 HydrophobicContact CB-CG2 4.15Å; V91-K243 PolarHBondContact N-O 3.35Å; V91-K243 VanDerWaalsContact O-O 3.04Å; V91-I244 HydrophobicContact CB-CG2 4.35Å; V91-I244 HydrophobicContact CG1-CG2 4.04Å; V91-S245 PolarHBondContact O-N 3.03Å; V91-S318 PolarHBondContact N-OG 3.36Å; V91-R319 CarbonylContact C-O 3.16Å; V91-R319 WeakPolarHBondContact CA-O 3.4Å; V91-R319 HydrophobicContact CG2-CB 4.36Å |
| 92 | C | 97.3 | Very high | 94.6 | Very high | 1 Ų | 1 | 19.7 Ų | 19.7 | 1% | 0.007 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 126.1 | 175.6 | -176.7 | 0 | 0 | 0 | 0 | 112.4 | S245 N313 R319 T320 A321 | C92-S245 CarbonylContact C-O 3.57Å; C92-S245 VanDerWaalsContact CA-O 3.25Å; C92-S245 WeakPolarHBondContact CA-O 3.41Å; C92-N313 HydrophobicContact CB-CB 3.79Å; C92-N313 VanDerWaalsContact CB-CG 3.46Å; C92-N313 WeakPolarHBondContact CB-OD1 3.27Å; C92-R319 PolarHBondContact N-O 3.12Å; C92-T320 HydrophobicContact CB-CG2 4.1Å; C92-T320 CarbonylContact O-C 3.49Å; C92-T320 WeakPolarHBondContact O-CA 3.14Å; C92-A321 PolarHBondContact O-N 3.44Å |
| 93 | I | 98.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 121.7 | 170.5 | -52 | 176.3 | 0 | 0 | 0 | 107.9 | I77 M81 M107 I118 L122 S245 L246 V247 A321 I323 | I77-I93 HydrophobicContact CG2-CD1 4.22Å; I77-I93 HydrophobicContact CG2-CG2 4.45Å; M81-I93 HydrophobicContact CB-CD1 3.87Å; M81-I93 HydrophobicContact CB-CG1 4.23Å; M81-I93 HydrophobicContact CG-CD1 4.01Å; M81-I93 HydrophobicContact CG-CG1 4.02Å; I93-M107 HydrophobicContact CB-CE 4.42Å; I93-M107 HydrophobicContact CG2-CE 4.23Å; I93-M107 HydrophobicContact CG2-SD 4.27Å; I93-I118 HydrophobicContact CD1-CG2 3.79Å; I93-I118 HydrophobicContact CG2-CD1 4.32Å; I93-L122 HydrophobicContact CD1-CD1 4.49Å; I93-S245 PolarHBondContact N-O 3.07Å; I93-L246 HydrophobicContact CB-CD2 3.81Å; I93-L246 HydrophobicContact CD1-CD2 3.84Å; I93-L246 HydrophobicContact CG1-CD2 3.9Å; I93-V247 PolarHBondContact O-N 2.94Å; I93-A321 WeakPolarHBondContact CA-O 3.4Å; I93-A321 HydrophobicContact CG1-CB 4.48Å; I93-I323 HydrophobicContact CG2-CD1 4.13Å; I93-I323 HydrophobicContact CG2-CG1 4.45Å |
| 94 | F | 97 | Very high | 94.2 | Very high | 3 Ų | 3 | 19.1 Ų | 19.1 | 1% | 0.013 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 132.4 | 177.5 | 70.5 | -90.2 | 0 | 0 | 0 | 113.5 | V247 L249 L314 T320 A321 M322 I323 | F94-V247 WeakPolarHBondContact CA-O 3.31Å; F94-V247 HydrophobicContact CB-CB 3.78Å; F94-V247 HydrophobicContact CB-CG1 4.36Å; F94-V247 HydrophobicContact CB-CG2 4.43Å; F94-L249 HydrophobicContact CD2-CD1 3.9Å; F94-L314 HydrophobicContact CE1-CD2 4.1Å; F94-L314 HydrophobicContact CZ-CD2 4.36Å; F94-T320 HydrophobicContact CD1-CG2 4.07Å; F94-T320 HydrophobicContact CE1-CG2 3.75Å; F94-A321 WeakPolarHBondContact CD1-O 3.48Å; F94-A321 PolarHBondContact N-O 3.37Å; F94-M322 HydrophobicContact CD2-CB 4.48Å; F94-M322 HydrophobicContact CD2-CG 4.13Å; F94-M322 HydrophobicContact CE1-CB 3.95Å; F94-M322 HydrophobicContact CE1-CG 4.49Å; F94-M322 HydrophobicContact CE2-CB 3.89Å; F94-M322 HydrophobicContact CE2-CG 3.51Å; F94-M322 HydrophobicContact CE2-SD 3.97Å; F94-M322 HydrophobicContact CZ-CB 3.6Å; F94-M322 HydrophobicContact CZ-CG 3.73Å; F94-M322 HydrophobicContact CZ-SD 4.11Å; F94-I323 PolarHBondContact O-N 2.93Å |
| 95 | A | 97.4 | Very high | 94.2 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.008 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 133.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | K103 M107 V247 L249 I323 | A95-K103 HydrophobicContact CB-CB 3.87Å; A95-K103 HydrophobicContact CB-CG 4.3Å; A95-M107 HydrophobicContact CB-CG 3.53Å; A95-M107 HydrophobicContact CB-SD 3.83Å; A95-V247 PolarHBondContact N-O 3.05Å; A95-L249 WeakPolarHBondContact O-CB 3.25Å; A95-L249 WeakPolarHBondContact O-CG 3.26Å; A95-L249 PolarHBondContact O-N 2.94Å; A95-I323 WeakPolarHBondContact CA-O 3.48Å |
| 96 | Y | 96.1 | Very high | 94.2 | Very high | 10 Ų | 10 | 21.2 Ų | 21.2 | 4% | 0.039 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 156 | -177 | 179.5 | -88.7 | 0 | 0 | 0 | 111.5 | L249 S252 L275 M322 I323 A324 A325 T339 Y342 | Y96-L249 HydrophobicContact CD2-CD1 3.85Å; Y96-S252 WeakPolarHBondContact OH-CB 3.24Å; Y96-L275 HydrophobicContact CE2-CD2 4.38Å; Y96-M322 HydrophobicContact CD1-CE 3.6Å; Y96-M322 HydrophobicContact CG-CE 3.77Å; Y96-I323 PolarHBondContact N-O 3.31Å; Y96-A324 CarbonylContact O-C 3.56Å; Y96-A324 WeakPolarHBondContact O-CA 3.49Å; Y96-A325 PolarHBondContact O-N 2.88Å; Y96-T339 HydrophobicContact CD1-CG2 4.07Å; Y96-T339 HydrophobicContact CE1-CG2 4.25Å; Y96-Y342 HydrophobicContact CD1-CD1 4.07Å; Y96-Y342 HydrophobicContact CD1-CE1 4.4Å; Y96-Y342 HydrophobicContact CD1-CG 4.37Å; Y96-Y342 HydrophobicContact CD2-CD1 4.49Å; Y96-Y342 HydrophobicContact CD2-CE1 4.02Å; Y96-Y342 AromaticContact CE1-CD1 3.82Å; Y96-Y342 HydrophobicContact CE1-CD1 3.82Å; Y96-Y342 HydrophobicContact CE1-CD2 4.05Å; Y96-Y342 HydrophobicContact CE1-CE1 4.22Å; Y96-Y342 HydrophobicContact CE1-CE2 4.44Å; Y96-Y342 AromaticContact CE1-CG 3.7Å; Y96-Y342 HydrophobicContact CE1-CG 3.7Å; Y96-Y342 HydrophobicContact CE2-CD1 4.24Å; Y96-Y342 HydrophobicContact CE2-CD2 4.33Å; Y96-Y342 AromaticContact CE2-CE1 3.79Å; Y96-Y342 HydrophobicContact CE2-CE1 3.79Å; Y96-Y342 AromaticContact CE2-CE2 3.9Å; Y96-Y342 HydrophobicContact CE2-CE2 3.9Å; Y96-Y342 HydrophobicContact CE2-CG 4.47Å; Y96-Y342 AromaticContact CE2-CZ 3.58Å; Y96-Y342 HydrophobicContact CG-CD1 4.43Å; Y96-Y342 HydrophobicContact CG-CE1 4.34Å; Y96-Y342 AromaticContact CZ-CD1 3.91Å; Y96-Y342 AromaticContact CZ-CD2 3.63Å; Y96-Y342 AromaticContact CZ-CE1 3.9Å; Y96-Y342 AromaticContact CZ-CE2 3.64Å; Y96-Y342 AromaticContact CZ-CG 3.75Å; Y96-Y342 AromaticContact CZ-CZ 3.76Å; Y96-Y342 VanDerWaalsContact OH-CD2 3.26Å; Y96-Y342 WeakPolarHBondContact OH-CD2 3.36Å; Y96-Y342 WeakPolarHBondContact OH-CE2 3.44Å |
| 97 | G | 94.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.114 | C | C | . | . | S | Bend | trans | 130.3 | -180 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | K103 S252 | G97-K103 WeakPolarHBondContact O-CD 3.42Å; G97-K103 PolarHBondContact O-NZ 3.49Å; G97-S252 WeakPolarHBondContact CA-OG 3.33Å; G97-S252 PolarHBondContact O-N 2.77Å; G97-S252 VanDerWaalsContact O-N 3.14Å; G97-S252 PolarHBondContact O-OG 3.01Å |
| 98 | Q | 90.6 | Very high | 94.2 | Very high | 19 Ų | 19 | 16.7 Ų | 16.7 | 9% | 0.089 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -65.7 | 163.4 | -175.1 | 67.5 | 176.4 | 105.5 | 0 | 0 | 113.6 | A101 K103 S252 E253 N332 E335 | Q98-A101 HydrophobicContact CG-CB 3.8Å; Q98-A101 WeakPolarHBondContact O-CB 3.32Å; Q98-A101 PolarHBondContact O-N 2.84Å; Q98-A101 VanDerWaalsContact O-N 3.17Å; Q98-K103 PolarHBondContact O-NZ 3.04Å; Q98-K103 VanDerWaalsContact O-NZ 3.09Å; Q98-S252 PolarHBondContact N-OG 2.93Å; Q98-S252 VanDerWaalsContact N-OG 3.17Å; Q98-E253 WeakPolarHBondContact CA-OE2 3.38Å; Q98-E253 WeakPolarHBondContact CB-OE2 3.43Å; Q98-N332 PolarHBondContact NE2-OD1 2.82Å; Q98-E335 HydrophobicContact CB-CB 4.47Å |
| 99 | T | 88.6 | Confident | 94.3 | Very high | 38 Ų | 38 | 17.6 Ų | 17.6 | 23% | 0.233 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | 137.8 | 167.4 | -66.9 | 0 | 0 | 0 | 0 | 110.6 | A101 G251 E253 | T99-A101 PolarHBondContact O-N 2.78Å; T99-G251 WeakPolarHBondContact OG1-CA 3.46Å; T99-E253 WeakPolarHBondContact CB-OE1 3.47Å; T99-E253 PolarHBondContact N-OE2 2.84Å; T99-E253 PolarHBondContact OG1-OE1 2.84Å |
| 100 | G | 87.6 | Confident | 93.9 | Very high | 47 Ų | 47 | 20.7 Ų | 20.7 | 49% | 0.485 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67 | 14.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | R13 | R13-G100 VanDerWaalsContact CZ-O 3.24Å; R13-G100 PolarHBondContact NE-O 2.81Å; R13-G100 PolarHBondContact NH2-O 3.05Å |
| 101 | A | 91.9 | Very high | 93 | Very high | 2 Ų | 2 | 27.7 Ų | 27.7 | 2% | 0.017 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -79.1 | -21.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | R13 Q98 T99 A325 | R13-A101 WeakPolarHBondContact CG-O 3.25Å; Q98-A101 HydrophobicContact CG-CB 3.8Å; Q98-A101 WeakPolarHBondContact O-CB 3.32Å; Q98-A101 PolarHBondContact O-N 2.84Å; Q98-A101 VanDerWaalsContact O-N 3.17Å; T99-A101 PolarHBondContact O-N 2.78Å; A101-A325 HydrophobicContact CB-CB 3.83Å; A101-A325 WeakPolarHBondContact CB-O 3.44Å |
| 102 | G | 93.6 | Very high | 92.3 | Very high | 15 Ų | 15 | 32.3 Ų | 32.3 | 16% | 0.155 | 18% | 0.179 | C | C | . | . | S | Bend | trans | 112.8 | 19.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | T106 | G102-T106 PolarHBondContact O-N 2.92Å; G102-T106 PolarHBondContact O-OG1 2.98Å |
| 103 | K | 94.9 | Very high | 91.5 | Very high | 13 Ų | 13 | 38.2 Ų | 38.2 | 6% | 0.057 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -56.8 | -64.3 | 176.1 | -59.7 | -167.4 | -64 | -78.7 | 0 | 112.1 | A95 G97 Q98 Y105 T106 M107 D248 L249 A250 A325 | A95-K103 HydrophobicContact CB-CB 3.87Å; A95-K103 HydrophobicContact CB-CG 4.3Å; G97-K103 WeakPolarHBondContact O-CD 3.42Å; G97-K103 PolarHBondContact O-NZ 3.49Å; Q98-K103 PolarHBondContact O-NZ 3.04Å; Q98-K103 VanDerWaalsContact O-NZ 3.09Å; K103-Y105 VanDerWaalsContact C-N 3.27Å; K103-Y105 PolarHBondContact O-N 3.33Å; K103-T106 WeakPolarHBondContact O-CA 3.42Å; K103-T106 WeakPolarHBondContact O-CB 3.49Å; K103-T106 PolarHBondContact O-N 3.25Å; K103-M107 PolarHBondContact O-N 3.49Å; K103-D248 VanDerWaalsContact CB-OD1 3.24Å; K103-D248 WeakPolarHBondContact CB-OD1 3.26Å; K103-L249 WeakPolarHBondContact CE-O 3.33Å; K103-A250 WeakPolarHBondContact CE-O 3.35Å; K103-A250 PolarHBondContact NZ-O 3.48Å; K103-A325 HydrophobicContact CG-CB 4.03Å |
| 104 | S | 92.3 | Very high | 90.8 | Very high | 55 Ų | 55 | 40.8 Ų | 40.8 | 39% | 0.385 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64 | -29.6 | -179.8 | -33.4 | 0 | 0 | 0 | 0 | 112.9 | T106 M107 M108 G109 D248 | S104-T106 VanDerWaalsContact C-N 3.3Å; S104-T106 PolarHBondContact O-N 3.29Å; S104-M107 PolarHBondContact O-N 3.42Å; S104-M108 WeakPolarHBondContact O-CA 3.36Å; S104-M108 WeakPolarHBondContact O-CB 3.46Å; S104-M108 PolarHBondContact O-N 3.01Å; S104-G109 PolarHBondContact O-N 2.96Å; S104-D248 WeakPolarHBondContact CA-OD1 3.16Å; S104-D248 WeakPolarHBondContact CB-OD2 3.34Å; S104-D248 PolarHBondContact N-OD1 3.25Å; S104-D248 VanDerWaalsContact N-OD1 3.08Å; S104-D248 VanDerWaalsContact OG-CG 3.28Å; S104-D248 PolarHBondContact OG-OD1 3.43Å; S104-D248 PolarHBondContact OG-OD2 2.97Å |
| 105 | Y | 94.4 | Very high | 90.5 | Very high | 62 Ų | 62 | 43.3 Ų | 43.3 | 24% | 0.243 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -67.7 | -27.7 | 170.3 | 172.6 | -105.7 | 0 | 0 | 0 | 112.8 | Q70 K103 G109 K110 Q115 | Q70-Y105 PolarHBondContact NE2-O 3.4Å; Q70-Y105 VanDerWaalsContact OE1-CE1 3.31Å; K103-Y105 VanDerWaalsContact C-N 3.27Å; K103-Y105 PolarHBondContact O-N 3.33Å; Y105-G109 WeakPolarHBondContact O-CA 3.49Å; Y105-G109 PolarHBondContact O-N 2.78Å; Y105-K110 HydrophobicContact CD2-CG 4.42Å; Y105-K110 HydrophobicContact CE2-CG 4.47Å; Y105-Q115 PolarHBondContact OH-OE1 3.3Å |
| 106 | T | 97.3 | Very high | 90.3 | Very high | 3 Ų | 3 | 45.5 Ų | 45.5 | 2% | 0.018 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -83 | -39 | 174.2 | -55 | 0 | 0 | 0 | 0 | 111.3 | R11 V73 G102 K103 S104 I118 I323 | R11-T106 PolarHBondContact NH1-OG1 2.92Å; V73-T106 HydrophobicContact CG1-CG2 4.09Å; G102-T106 PolarHBondContact O-N 2.92Å; G102-T106 PolarHBondContact O-OG1 2.98Å; K103-T106 WeakPolarHBondContact O-CA 3.42Å; K103-T106 WeakPolarHBondContact O-CB 3.49Å; K103-T106 PolarHBondContact O-N 3.25Å; S104-T106 VanDerWaalsContact C-N 3.3Å; S104-T106 PolarHBondContact O-N 3.29Å; T106-I118 HydrophobicContact CG2-CD1 3.94Å; T106-I118 WeakPolarHBondContact O-CG1 3.38Å; T106-I118 PolarHBondContact O-N 3.28Å; T106-I323 HydrophobicContact CG2-CD1 4.04Å; T106-I323 HydrophobicContact CG2-CG2 4.19Å |
| 107 | M | 96.6 | Very high | 90.4 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -76.9 | -55.9 | -179.8 | -61.2 | -54 | -66.3 | 0 | 0 | 112.8 | I93 A95 K103 S104 G117 I118 I119 L246 D248 | I93-M107 HydrophobicContact CB-CE 4.42Å; I93-M107 HydrophobicContact CG2-CE 4.23Å; I93-M107 HydrophobicContact CG2-SD 4.27Å; A95-M107 HydrophobicContact CB-CG 3.53Å; A95-M107 HydrophobicContact CB-SD 3.83Å; K103-M107 PolarHBondContact O-N 3.49Å; S104-M107 PolarHBondContact O-N 3.42Å; M107-G117 CarbonylContact O-C 3.57Å; M107-G117 WeakPolarHBondContact O-CA 3.34Å; M107-I118 PolarHBondContact O-N 2.9Å; M107-I119 HydrophobicContact CB-CD1 3.93Å; M107-I119 HydrophobicContact CB-CG1 4.37Å; M107-I119 HydrophobicContact CE-CD1 4.29Å; M107-I119 HydrophobicContact CE-CG1 4.19Å; M107-I119 WeakPolarHBondContact O-CB 3.5Å; M107-I119 VanDerWaalsContact O-CG1 3.27Å; M107-I119 WeakPolarHBondContact O-CG1 3.4Å; M107-I119 PolarHBondContact O-N 2.92Å; M107-L246 HydrophobicContact CE-CB 4.01Å; M107-D248 HydrophobicContact CB-CB 4.37Å; M107-D248 HydrophobicContact CG-CB 4.23Å |
| 108 | M | 93.8 | Very high | 90.5 | Very high | 36 Ų | 36 | 45.1 Ų | 45.1 | 18% | 0.177 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | -35.7 | -176.4 | -166.8 | 61 | 67.2 | 0 | 0 | 112.9 | S104 G117 I119 M196 N200 | S104-M108 WeakPolarHBondContact O-CA 3.36Å; S104-M108 WeakPolarHBondContact O-CB 3.46Å; S104-M108 PolarHBondContact O-N 3.01Å; M108-G117 WeakPolarHBondContact O-CA 3.38Å; M108-G117 PolarHBondContact O-N 2.85Å; M108-I119 HydrophobicContact CE-CD1 3.95Å; M108-I119 HydrophobicContact CE-CG2 4.49Å; M108-M196 HydrophobicContact CE-SD 4.46Å; M108-M196 HydrophobicContact SD-SD 4.39Å; M108-N200 PolarHBondContact SD-ND2 3.27Å |
| 109 | G | 92 | Very high | 90.8 | Very high | 20 Ų | 20 | 44.4 Ų | 44.4 | 21% | 0.206 | 26% | 0.261 | C | S | . | . | B | Isolated β-bridge | trans | 82.2 | -143.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | S104 Y105 Q115 | S104-G109 PolarHBondContact O-N 2.96Å; Y105-G109 WeakPolarHBondContact O-CA 3.49Å; Y105-G109 PolarHBondContact O-N 2.78Å; G109-Q115 CarbonylContact C-O 3.56Å; G109-Q115 VanDerWaalsContact CA-O 3.25Å; G109-Q115 WeakPolarHBondContact CA-O 3.27Å |
| 110 | K | 85.9 | Confident | 91.2 | Very high | 96 Ų | 96 | 43.1 Ų | 43.1 | 42% | 0.417 | 25% | 0.253 | S | S | . | . | trans | -124.3 | 164.1 | 166.7 | -57.7 | -178.7 | 178.6 | -177.9 | 0 | 109.9 | Y105 E112 Q115 E116 | Y105-K110 HydrophobicContact CD2-CG 4.42Å; Y105-K110 HydrophobicContact CE2-CG 4.47Å; K110-E112 HydrophobicContact CB-CB 4.28Å; K110-E112 HydrophobicContact CD-CB 4.34Å; K110-E112 HydrophobicContact CD-CG 4.12Å; K110-E112 WeakPolarHBondContact CD-OE1 3.49Å; K110-E112 WeakPolarHBondContact CD-OE2 3.43Å; K110-E112 IonicContact NZ-OE1 3.3Å; K110-E112 PolarHBondContact NZ-OE1 3.11Å; K110-E112 IonicContact NZ-OE2 3.46Å; K110-E112 PolarHBondContact NZ-OE2 2.82Å; K110-E112 PolarHBondContact O-N 3.16Å; K110-Q115 HydrophobicContact CB-CB 3.87Å; K110-Q115 HydrophobicContact CD-CB 4.26Å; K110-Q115 HydrophobicContact CD-CG 4.48Å; K110-Q115 HydrophobicContact CG-CB 4.3Å; K110-Q115 PolarHBondContact N-O 2.62Å; K110-Q115 CarbonylContact O-C 3.47Å; K110-E116 PolarHBondContact O-N 2.84Å | ||
| 111 | Q | 76.9 | Confident | 91.6 | Very high | 159 Ų | 159 | 42.1 Ų | 42.1 | 74% | 0.743 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -75.3 | -2.3 | 168.5 | -66.5 | 171.2 | -21.7 | 0 | 0 | 113.8 | D197 | Q111-D197 PolarHBondContact NE2-OD1 3.11Š|
| 112 | E | 81.6 | Confident | 91.9 | Very high | 97 Ų | 97 | 42 Ų | 42 | 45% | 0.453 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -67.6 | 129.5 | 170.2 | -73.8 | 164.1 | -153.9 | 0 | 0 | 109.7 | K110 G114 Q115 | K110-E112 HydrophobicContact CB-CB 4.28Å; K110-E112 HydrophobicContact CD-CB 4.34Å; K110-E112 HydrophobicContact CD-CG 4.12Å; K110-E112 WeakPolarHBondContact CD-OE1 3.49Å; K110-E112 WeakPolarHBondContact CD-OE2 3.43Å; K110-E112 IonicContact NZ-OE1 3.3Å; K110-E112 PolarHBondContact NZ-OE1 3.11Å; K110-E112 IonicContact NZ-OE2 3.46Å; K110-E112 PolarHBondContact NZ-OE2 2.82Å; K110-E112 PolarHBondContact O-N 3.16Å; E112-G114 PolarHBondContact O-N 2.79Å; E112-Q115 HydrophobicContact CB-CB 3.94Å; E112-Q115 HydrophobicContact CB-CG 3.78Å; E112-Q115 WeakPolarHBondContact O-CA 3.33Å; E112-Q115 VanDerWaalsContact O-CB 3.29Å; E112-Q115 WeakPolarHBondContact O-CB 3.12Å; E112-Q115 PolarHBondContact O-N 2.98Å |
| 113 | P | 80.4 | Confident | 92.1 | Very high | 126 Ų | 126 | 41.3 Ų | 41.3 | 82% | 0.818 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | 128.2 | -177.9 | -29.9 | 36.3 | 0 | 0 | 0 | 113.3 | Q115 | P113-Q115 PolarHBondContact O-N 2.66Š|
| 114 | G | 83.8 | Confident | 92.2 | Very high | 54 Ų | 54 | 44.8 Ų | 44.8 | 56% | 0.557 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.8 | 2.1 | -176 | 0 | 0 | 0 | 0 | 0 | 115.4 | E112 | E112-G114 PolarHBondContact O-N 2.79Š|
| 115 | Q | 90.4 | Very high | 92.4 | Very high | 56 Ų | 56 | 43.1 Ų | 43.1 | 26% | 0.262 | 23% | 0.231 | S | C | . | . | trans | -100.2 | 2.3 | 168.5 | -60.4 | -65.6 | -39.8 | 0 | 0 | 112.9 | Q70 Y105 G109 K110 E112 P113 | Q70-Q115 PolarHBondContact NE2-O 3.37Å; Y105-Q115 PolarHBondContact OH-OE1 3.3Å; G109-Q115 CarbonylContact C-O 3.56Å; G109-Q115 VanDerWaalsContact CA-O 3.25Å; G109-Q115 WeakPolarHBondContact CA-O 3.27Å; K110-Q115 HydrophobicContact CB-CB 3.87Å; K110-Q115 HydrophobicContact CD-CB 4.26Å; K110-Q115 HydrophobicContact CD-CG 4.48Å; K110-Q115 HydrophobicContact CG-CB 4.3Å; K110-Q115 PolarHBondContact N-O 2.62Å; K110-Q115 CarbonylContact O-C 3.47Å; E112-Q115 HydrophobicContact CB-CB 3.94Å; E112-Q115 HydrophobicContact CB-CG 3.78Å; E112-Q115 WeakPolarHBondContact O-CA 3.33Å; E112-Q115 VanDerWaalsContact O-CB 3.29Å; E112-Q115 WeakPolarHBondContact O-CB 3.12Å; E112-Q115 PolarHBondContact O-N 2.98Å; P113-Q115 PolarHBondContact O-N 2.66Å | ||
| 116 | E | 94.4 | Very high | 92.5 | Very high | 46 Ų | 46 | 40.2 Ų | 40.2 | 22% | 0.215 | 22% | 0.22 | C | C | . | . | B | Isolated β-bridge | trans | -55.2 | 144 | 175.3 | -74.3 | 160.6 | 118.3 | 0 | 0 | 111.9 | Q70 K110 P120 Q121 R193 | Q70-E116 WeakPolarHBondContact CB-O 3.33Å; Q70-E116 WeakPolarHBondContact CG-O 3.26Å; Q70-E116 PolarHBondContact NE2-O 2.91Å; K110-E116 PolarHBondContact O-N 2.84Å; E116-P120 HydrophobicContact CB-CB 4.4Å; E116-P120 HydrophobicContact CB-CG 3.88Å; E116-P120 HydrophobicContact CG-CG 4.38Å; E116-Q121 HydrophobicContact CB-CG 4.46Å; E116-Q121 PolarHBondContact O-NE2 2.87Å; E116-Q121 VanDerWaalsContact O-NE2 3.14Å; E116-R193 IonicContact OE1-NH2 2.77Å; E116-R193 PolarHBondContact OE1-NH2 2.87Å |
| 117 | G | 96.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | -82.3 | -170.5 | -178 | 0 | 0 | 0 | 0 | 0 | 114 | M107 M108 Q121 | M107-G117 CarbonylContact O-C 3.57Å; M107-G117 WeakPolarHBondContact O-CA 3.34Å; M108-G117 WeakPolarHBondContact O-CA 3.38Å; M108-G117 PolarHBondContact O-N 2.85Å; G117-Q121 WeakPolarHBondContact O-CB 3.36Å; G117-Q121 WeakPolarHBondContact O-CG 3.45Å; G117-Q121 PolarHBondContact O-N 2.88Å; G117-Q121 PolarHBondContact O-NE2 3.19Å | ||
| 118 | I | 97.9 | Very high | 92.5 | Very high | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.9 | -41.4 | 174.5 | -66.7 | 169.8 | 0 | 0 | 0 | 111.5 | V73 Y74 I93 T106 M107 L122 I323 | V73-I118 HydrophobicContact CG1-CD1 4.04Å; V73-I118 HydrophobicContact CG1-CG1 4.45Å; Y74-I118 HydrophobicContact CD2-CG2 4.5Å; I93-I118 HydrophobicContact CD1-CG2 3.79Å; I93-I118 HydrophobicContact CG2-CD1 4.32Å; T106-I118 HydrophobicContact CG2-CD1 3.94Å; T106-I118 WeakPolarHBondContact O-CG1 3.38Å; T106-I118 PolarHBondContact O-N 3.28Å; M107-I118 PolarHBondContact O-N 2.9Å; I118-L122 WeakPolarHBondContact O-CB 3.44Å; I118-L122 PolarHBondContact O-N 2.88Å; I118-I323 HydrophobicContact CD1-CD1 3.31Å |
| 119 | I | 96.9 | Very high | 92.5 | Very high | 5 Ų | 5 | 47.4 Ų | 47.4 | 3% | 0.026 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -61.8 | -58.2 | -176.4 | -56.9 | 169.8 | 0 | 0 | 0 | 111.1 | M107 M108 Q121 L122 C123 M196 F221 L246 | M107-I119 HydrophobicContact CB-CD1 3.93Å; M107-I119 HydrophobicContact CB-CG1 4.37Å; M107-I119 HydrophobicContact CE-CD1 4.29Å; M107-I119 HydrophobicContact CE-CG1 4.19Å; M107-I119 WeakPolarHBondContact O-CB 3.5Å; M107-I119 VanDerWaalsContact O-CG1 3.27Å; M107-I119 WeakPolarHBondContact O-CG1 3.4Å; M107-I119 PolarHBondContact O-N 2.92Å; M108-I119 HydrophobicContact CE-CD1 3.95Å; M108-I119 HydrophobicContact CE-CG2 4.49Å; I119-Q121 PolarHBondContact O-N 2.89Å; I119-L122 PolarHBondContact O-N 3.07Å; I119-C123 PolarHBondContact O-N 2.71Å; I119-C123 PolarHBondContact O-SG 3.09Å; I119-M196 HydrophobicContact CB-SD 4.47Å; I119-M196 HydrophobicContact CG2-SD 3.45Å; I119-M196 WeakPolarHBondContact CG2-SD 3.35Å; I119-F221 HydrophobicContact CG2-CD1 3.83Å; I119-F221 HydrophobicContact CG2-CE1 4.04Å; I119-F221 HydrophobicContact CG2-CG 4.32Å; I119-L246 HydrophobicContact CB-CD1 4.26Å; I119-L246 HydrophobicContact CD1-CB 4.2Å; I119-L246 HydrophobicContact CG1-CB 3.89Å; I119-L246 HydrophobicContact CG1-CD1 3.88Å; I119-L246 HydrophobicContact CG1-CG 4.47Å; I119-L246 HydrophobicContact CG2-CD1 4.05Å |
| 120 | P | 95.8 | Very high | 92.6 | Very high | 11 Ų | 11 | 47.7 Ų | 47.7 | 7% | 0.071 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.1 | -40.2 | 179.1 | 22.6 | -34.2 | 0 | 0 | 0 | 113.4 | E116 L122 C123 E124 M196 | E116-P120 HydrophobicContact CB-CB 4.4Å; E116-P120 HydrophobicContact CB-CG 3.88Å; E116-P120 HydrophobicContact CG-CG 4.38Å; P120-L122 PolarHBondContact O-N 3.27Å; P120-C123 PolarHBondContact O-N 3.37Å; P120-E124 PolarHBondContact O-N 2.97Å; P120-M196 HydrophobicContact CB-CE 4.43Å |
| 121 | Q | 97.4 | Very high | 92.9 | Very high | 25 Ų | 25 | 46.4 Ų | 46.4 | 12% | 0.117 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64 | -39.5 | 176.3 | -75.7 | 174.5 | 98.9 | 0 | 0 | 112.3 | Y74 E116 G117 I119 C123 E124 D125 | Y74-Q121 HydrophobicContact CD1-CB 4.11Å; Y74-Q121 HydrophobicContact CD2-CB 3.59Å; Y74-Q121 HydrophobicContact CE1-CB 4.44Å; Y74-Q121 HydrophobicContact CE2-CB 3.98Å; Y74-Q121 HydrophobicContact CG-CB 3.69Å; Y74-Q121 HydrophobicContact CG-CG 4.4Å; E116-Q121 HydrophobicContact CB-CG 4.46Å; E116-Q121 PolarHBondContact O-NE2 2.87Å; E116-Q121 VanDerWaalsContact O-NE2 3.14Å; G117-Q121 WeakPolarHBondContact O-CB 3.36Å; G117-Q121 WeakPolarHBondContact O-CG 3.45Å; G117-Q121 PolarHBondContact O-N 2.88Å; G117-Q121 PolarHBondContact O-NE2 3.19Å; I119-Q121 PolarHBondContact O-N 2.89Å; Q121-C123 VanDerWaalsContact C-N 3.34Å; Q121-E124 PolarHBondContact O-N 2.74Å; Q121-D125 VanDerWaalsContact O-CB 3.23Å; Q121-D125 WeakPolarHBondContact O-CB 3.47Å; Q121-D125 PolarHBondContact O-N 3.37Å |
| 122 | L | 98.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.6 | -38.5 | 175.5 | -170.7 | 149.8 | 0 | 0 | 0 | 111.4 | Y74 L82 I93 I118 I119 P120 L126 I223 I244 L246 | Y74-L122 HydrophobicContact CE2-CB 3.88Å; L82-L122 HydrophobicContact CB-CD1 4.47Å; L82-L122 HydrophobicContact CB-CG 4.37Å; L82-L122 HydrophobicContact CD1-CD2 4.18Å; L82-L122 HydrophobicContact CD1-CG 4.25Å; I93-L122 HydrophobicContact CD1-CD1 4.49Å; I118-L122 WeakPolarHBondContact O-CB 3.44Å; I118-L122 PolarHBondContact O-N 2.88Å; I119-L122 PolarHBondContact O-N 3.07Å; P120-L122 PolarHBondContact O-N 3.27Å; L122-L126 WeakPolarHBondContact O-CB 3.43Å; L122-L126 PolarHBondContact O-N 2.81Å; L122-I223 HydrophobicContact CD2-CD1 3.87Å; L122-I244 HydrophobicContact CD1-CG2 4.27Å; L122-I244 HydrophobicContact CD2-CD1 4.19Å; L122-I244 HydrophobicContact CD2-CG2 4.3Å; L122-L246 HydrophobicContact CD1-CD1 4.34Å; L122-L246 HydrophobicContact CD1-CD2 4.35Å; L122-L246 HydrophobicContact CD2-CD1 4.35Å |
| 123 | C | 97.1 | Very high | 94 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68.3 | -41.2 | 177 | -62.5 | 0 | 0 | 0 | 0 | 111.9 | I119 P120 Q121 F127 F189 I192 M196 | I119-C123 PolarHBondContact O-N 2.71Å; I119-C123 PolarHBondContact O-SG 3.09Å; P120-C123 PolarHBondContact O-N 3.37Å; Q121-C123 VanDerWaalsContact C-N 3.34Å; C123-F127 WeakPolarHBondContact O-CD2 3.48Å; C123-F127 PolarHBondContact O-N 2.89Å; C123-F189 HydrophobicContact CB-CD2 3.95Å; C123-F189 HydrophobicContact CB-CE2 3.86Å; C123-I192 HydrophobicContact CB-CD1 4.04Å; C123-I192 HydrophobicContact CB-CG1 4.5Å; C123-I192 HydrophobicContact CB-CG2 4.09Å; C123-I192 WeakPolarHBondContact SG-CD1 3.41Å; C123-M196 HydrophobicContact CB-CE 4.27Å |
| 124 | E | 95.9 | Very high | 94.3 | Very high | 86 Ų | 86 | 42.8 Ų | 42.8 | 40% | 0.402 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.3 | -50.3 | 175 | -169.4 | 167.7 | -121.8 | 0 | 0 | 111 | P120 Q121 L126 F127 Q128 F189 | P120-E124 PolarHBondContact O-N 2.97Å; Q121-E124 PolarHBondContact O-N 2.74Å; E124-L126 PolarHBondContact O-N 3.14Å; E124-F127 PolarHBondContact O-N 2.62Å; E124-Q128 VanDerWaalsContact O-CB 3.23Å; E124-Q128 WeakPolarHBondContact O-CB 3.48Å; E124-Q128 PolarHBondContact O-N 2.74Å; E124-F189 HydrophobicContact CB-CD1 3.97Å; E124-F189 HydrophobicContact CB-CD2 4.28Å; E124-F189 HydrophobicContact CB-CE1 3.56Å; E124-F189 HydrophobicContact CB-CE2 3.93Å; E124-F189 HydrophobicContact CB-CG 4.33Å; E124-F189 HydrophobicContact CB-CZ 3.55Å; E124-F189 HydrophobicContact CG-CD1 3.79Å; E124-F189 HydrophobicContact CG-CE1 3.52Å; E124-F189 HydrophobicContact CG-CZ 4.07Å; E124-F189 VanDerWaalsContact OE1-CE1 3.27Å; E124-F189 WeakPolarHBondContact OE1-CE1 3.41Å |
| 125 | D | 97.2 | Very high | 94.5 | Very high | 20 Ų | 20 | 42.3 Ų | 42.3 | 11% | 0.107 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.6 | -35.3 | -178 | -167.1 | 9.5 | 0 | 0 | 0 | 112.2 | Y74 L82 Q121 Q128 R129 | Y74-D125 HydrophobicContact CE1-CB 4.37Å; Y74-D125 WeakPolarHBondContact CE1-OD2 3.33Å; Y74-D125 VanDerWaalsContact OH-CB 3.3Å; Y74-D125 WeakPolarHBondContact OH-CB 3.27Å; Y74-D125 PolarHBondContact OH-OD2 3.34Å; L82-D125 HydrophobicContact CD2-CB 3.73Å; Q121-D125 VanDerWaalsContact O-CB 3.23Å; Q121-D125 WeakPolarHBondContact O-CB 3.47Å; Q121-D125 PolarHBondContact O-N 3.37Å; D125-Q128 PolarHBondContact O-N 3.04Å; D125-R129 VanDerWaalsContact CG-NE 3.34Å; D125-R129 VanDerWaalsContact CG-NH2 3.31Å; D125-R129 WeakPolarHBondContact O-CB 3.3Å; D125-R129 VanDerWaalsContact O-CG 3.25Å; D125-R129 WeakPolarHBondContact O-CG 3.38Å; D125-R129 PolarHBondContact O-N 3.27Å; D125-R129 IonicContact OD1-CZ 3.71Å; D125-R129 IonicContact OD1-NE 3.86Å; D125-R129 PolarHBondContact OD1-NE 2.94Å; D125-R129 IonicContact OD1-NH2 2.74Å; D125-R129 PolarHBondContact OD1-NH2 2.69Å; D125-R129 VanDerWaalsContact OD1-NH2 3.07Å; D125-R129 IonicContact OD2-CZ 2.71Å; D125-R129 IonicContact OD2-NE 2.72Å; D125-R129 IonicContact OD2-NH2 2.62Å; D125-R129 PolarHBondContact OD2-NH2 2.67Å |
| 126 | L | 97.4 | Very high | 94.3 | Very high | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -57.3 | -54.8 | 171.6 | 173.9 | 63 | 0 | 0 | 0 | 111.3 | L82 F86 L122 E124 Q128 R129 T130 I223 F225 | L82-L126 HydrophobicContact CD1-CB 4Å; L82-L126 HydrophobicContact CD1-CD1 3.97Å; F86-L126 HydrophobicContact CE2-CD1 3.8Å; F86-L126 HydrophobicContact CZ-CD1 3.94Å; L122-L126 WeakPolarHBondContact O-CB 3.43Å; L122-L126 PolarHBondContact O-N 2.81Å; E124-L126 PolarHBondContact O-N 3.14Å; L126-Q128 VanDerWaalsContact C-N 3.35Å; L126-R129 PolarHBondContact O-N 2.7Å; L126-T130 PolarHBondContact O-N 3.2Å; L126-T130 PolarHBondContact O-OG1 3.21Å; L126-I223 HydrophobicContact CD2-CD1 4.13Å; L126-I223 HydrophobicContact CD2-CG2 4.19Å; L126-F225 HydrophobicContact CD1-CD1 4.17Å; L126-F225 HydrophobicContact CD1-CD2 3.89Å; L126-F225 HydrophobicContact CD1-CE1 4.1Å; L126-F225 HydrophobicContact CD1-CE2 3.81Å; L126-F225 HydrophobicContact CD1-CG 4.06Å; L126-F225 HydrophobicContact CD1-CZ 3.91Å |
| 127 | F | 96.7 | Very high | 94 | Very high | 29 Ų | 29 | 44.4 Ų | 44.4 | 13% | 0.127 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -72.6 | -27.2 | -179.7 | -79.9 | -71 | 0 | 0 | 0 | 113 | C123 E124 T130 G131 A142 V186 T187 F189 I192 | C123-F127 WeakPolarHBondContact O-CD2 3.48Å; C123-F127 PolarHBondContact O-N 2.89Å; E124-F127 PolarHBondContact O-N 2.62Å; F127-T130 WeakPolarHBondContact CA-OG1 3.49Å; F127-T130 PolarHBondContact O-OG1 3.42Å; F127-G131 PolarHBondContact O-N 3.32Å; F127-A142 HydrophobicContact CZ-CB 4.18Å; F127-V186 HydrophobicContact CE2-CG2 4.44Å; F127-V186 HydrophobicContact CZ-CB 4.37Å; F127-V186 HydrophobicContact CZ-CG2 3.97Å; F127-T187 VanDerWaalsContact CE1-C 3.48Å; F127-T187 VanDerWaalsContact CE1-O 3.31Å; F127-T187 WeakPolarHBondContact CE1-O 3.42Å; F127-F189 HydrophobicContact CB-CB 4.13Å; F127-F189 HydrophobicContact CD2-CB 4.25Å; F127-F189 HydrophobicContact CG-CB 4.43Å; F127-I192 HydrophobicContact CD2-CG2 4.19Å; F127-I192 HydrophobicContact CE2-CB 4.35Å; F127-I192 HydrophobicContact CE2-CD1 4.31Å; F127-I192 HydrophobicContact CE2-CG2 3.85Å |
| 128 | Q | 95.6 | Very high | 93.7 | Very high | 105 Ų | 105 | 45.5 Ų | 45.5 | 49% | 0.491 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.8 | -41.9 | 170.4 | -176.4 | 173.5 | 21.5 | 0 | 0 | 111.3 | E124 D125 L126 Q132 | E124-Q128 VanDerWaalsContact O-CB 3.23Å; E124-Q128 WeakPolarHBondContact O-CB 3.48Å; E124-Q128 PolarHBondContact O-N 2.74Å; D125-Q128 PolarHBondContact O-N 3.04Å; L126-Q128 VanDerWaalsContact C-N 3.35Å; Q128-Q132 VanDerWaalsContact CG-NE2 3.31Å; Q128-Q132 WeakPolarHBondContact O-CB 3.5Å; Q128-Q132 WeakPolarHBondContact O-CG 3.31Å; Q128-Q132 PolarHBondContact O-N 2.69Å |
| 129 | R | 95.1 | Very high | 93.4 | Very high | 56 Ų | 56 | 48.6 Ų | 48.6 | 21% | 0.211 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -71 | -42.8 | 177.9 | -71.7 | 174.5 | -157.9 | -126 | -3.4 | 112.4 | E79 F86 D125 L126 Q132 | E79-R129 IonicContact OE1-CZ 2.7Å; E79-R129 IonicContact OE1-NH1 2.69Å; E79-R129 IonicContact OE1-NH2 2.69Å; E79-R129 PolarHBondContact OE1-NH2 3.31Å; F86-R129 HydrophobicContact CE1-CB 4.3Å; F86-R129 HydrophobicContact CE2-CB 3.99Å; F86-R129 HydrophobicContact CZ-CB 3.55Å; D125-R129 VanDerWaalsContact CG-NE 3.34Å; D125-R129 VanDerWaalsContact CG-NH2 3.31Å; D125-R129 WeakPolarHBondContact O-CB 3.3Å; D125-R129 VanDerWaalsContact O-CG 3.25Å; D125-R129 WeakPolarHBondContact O-CG 3.38Å; D125-R129 PolarHBondContact O-N 3.27Å; D125-R129 IonicContact OD1-CZ 3.71Å; D125-R129 IonicContact OD1-NE 3.86Å; D125-R129 PolarHBondContact OD1-NE 2.94Å; D125-R129 IonicContact OD1-NH2 2.74Å; D125-R129 PolarHBondContact OD1-NH2 2.69Å; D125-R129 VanDerWaalsContact OD1-NH2 3.07Å; D125-R129 IonicContact OD2-CZ 2.71Å; D125-R129 IonicContact OD2-NE 2.72Å; D125-R129 IonicContact OD2-NH2 2.62Å; D125-R129 PolarHBondContact OD2-NH2 2.67Å; L126-R129 PolarHBondContact O-N 2.7Å; R129-Q132 PolarHBondContact O-N 2.64Å |
| 130 | T | 94.3 | Very high | 93.2 | Very high | 26 Ų | 26 | 51.4 Ų | 51.4 | 16% | 0.16 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -67.4 | -39.3 | 176 | 59 | 0 | 0 | 0 | 0 | 112 | F86 L126 F127 Q132 N133 Y140 F225 | F86-T130 HydrophobicContact CE1-CG2 4.35Å; F86-T130 HydrophobicContact CZ-CG2 4.11Å; L126-T130 PolarHBondContact O-N 3.2Å; L126-T130 PolarHBondContact O-OG1 3.21Å; F127-T130 WeakPolarHBondContact CA-OG1 3.49Å; F127-T130 PolarHBondContact O-OG1 3.42Å; T130-Q132 PolarHBondContact O-N 2.72Å; T130-N133 VanDerWaalsContact O-CB 3.27Å; T130-N133 WeakPolarHBondContact O-CB 3.4Å; T130-N133 PolarHBondContact O-N 3.44Å; T130-N133 VanDerWaalsContact O-N 3.15Å; T130-Y140 HydrophobicContact CG2-CD1 3.75Å; T130-Y140 HydrophobicContact CG2-CD2 3.85Å; T130-Y140 HydrophobicContact CG2-CE1 4.15Å; T130-Y140 HydrophobicContact CG2-CE2 4.25Å; T130-Y140 HydrophobicContact CG2-CG 3.57Å; T130-F225 HydrophobicContact CG2-CE2 3.78Å; T130-F225 HydrophobicContact CG2-CZ 3.94Å |
| 131 | G | 90.8 | Very high | 93.1 | Very high | 69 Ų | 69 | 52.1 Ų | 52.1 | 71% | 0.711 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -68.6 | -15.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115 | F127 | F127-G131 PolarHBondContact O-N 3.32Å |
| 132 | Q | 92 | Very high | 93 | Very high | 132 Ų | 132 | 51.2 Ų | 51.2 | 62% | 0.617 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | 0.5 | 172.7 | -76 | 174.1 | 23.8 | 0 | 0 | 113.6 | Q128 R129 T130 S134 | Q128-Q132 VanDerWaalsContact CG-NE2 3.31Å; Q128-Q132 WeakPolarHBondContact O-CB 3.5Å; Q128-Q132 WeakPolarHBondContact O-CG 3.31Å; Q128-Q132 PolarHBondContact O-N 2.69Å; R129-Q132 PolarHBondContact O-N 2.64Å; T130-Q132 PolarHBondContact O-N 2.72Å; Q132-S134 PolarHBondContact O-N 3.05Å |
| 133 | N | 90.4 | Very high | 92.9 | Very high | 56 Ų | 56 | 52.4 Ų | 52.4 | 30% | 0.299 | 30% | 0.297 | S | S | . | . | trans | -65.6 | 131.8 | -179 | 178.3 | 48.7 | 0 | 0 | 0 | 112.5 | T130 D135 L138 Y140 | T130-N133 VanDerWaalsContact O-CB 3.27Å; T130-N133 WeakPolarHBondContact O-CB 3.4Å; T130-N133 PolarHBondContact O-N 3.44Å; T130-N133 VanDerWaalsContact O-N 3.15Å; N133-D135 PolarHBondContact ND2-O 3.32Å; N133-D135 WeakPolarHBondContact OD1-CB 3.37Å; N133-D135 PolarHBondContact OD1-N 2.97Å; N133-D135 VanDerWaalsContact OD1-N 3.09Å; N133-L138 PolarHBondContact ND2-O 3.04Å; N133-Y140 HydrophobicContact CB-CE2 3.61Å | ||
| 134 | S | 86.7 | Confident | 92.8 | Very high | 118 Ų | 118 | 52.4 Ų | 52.4 | 83% | 0.825 | 30% | 0.297 | S | S | * | . | trans | -113.9 | -1 | 176.9 | 59.1 | 0 | 0 | 0 | 0 | 113.8 | Q132 P136 | Q132-S134 PolarHBondContact O-N 3.05Å; S134-P136 WeakPolarHBondContact O-CD 3.23Å | ||
| 135 | D | 88.6 | Confident | 92.8 | Very high | 44 Ų | 44 | 48.9 Ų | 48.9 | 24% | 0.235 | 28% | 0.282 | C | S | . | . | trans | -87 | 110.4 | 176.9 | -174.7 | -21.8 | 0 | 0 | 0 | 110 | N133 D137 L138 R229 | N133-D135 PolarHBondContact ND2-O 3.32Å; N133-D135 WeakPolarHBondContact OD1-CB 3.37Å; N133-D135 PolarHBondContact OD1-N 2.97Å; N133-D135 VanDerWaalsContact OD1-N 3.09Å; D135-D137 VanDerWaalsContact C-N 3.25Å; D135-D137 PolarHBondContact O-N 3.45Å; D135-D137 PolarHBondContact OD1-N 3.38Å; D135-L138 HydrophobicContact CB-CB 4.02Å; D135-L138 PolarHBondContact O-N 3.04Å; D135-R229 IonicContact OD1-NH1 2.74Å; D135-R229 IonicContact OD2-CZ 3.28Å; D135-R229 IonicContact OD2-NH1 3.7Å; D135-R229 PolarHBondContact OD2-NH1 2.68Å; D135-R229 IonicContact OD2-NH2 2.7Å; D135-R229 PolarHBondContact OD2-NH2 3.07Å | ||
| 136 | P | 85.5 | Confident | 92.8 | Very high | 114 Ų | 114 | 48.3 Ų | 48.3 | 74% | 0.74 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -15.7 | -175.1 | 32.6 | -37.1 | 0 | 0 | 0 | 113.5 | S134 | S134-P136 WeakPolarHBondContact O-CD 3.23Š|
| 137 | D | 87.6 | Confident | 92.6 | Very high | 32 Ų | 32 | 48.7 Ų | 48.7 | 17% | 0.171 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -9.2 | 175.3 | -70.2 | -52.1 | 0 | 0 | 0 | 112 | D135 R229 R230 Q232 | D135-D137 VanDerWaalsContact C-N 3.25Å; D135-D137 PolarHBondContact O-N 3.45Å; D135-D137 PolarHBondContact OD1-N 3.38Å; D137-R229 CarbonylContact O-C 3.59Å; D137-R229 VanDerWaalsContact O-CA 3.3Å; D137-R229 WeakPolarHBondContact O-CA 3.47Å; D137-R230 HydrophobicContact CB-CB 4.16Å; D137-R230 PolarHBondContact O-N 3.09Å; D137-Q232 PolarHBondContact OD2-NE2 3.27Å |
| 138 | L | 90.3 | Very high | 92.3 | Very high | 24 Ų | 24 | 47.6 Ų | 47.6 | 13% | 0.126 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 116.4 | 179.4 | -176.7 | 55.8 | 0 | 0 | 0 | 111.2 | N133 D135 Y140 Q227 R229 | N133-L138 PolarHBondContact ND2-O 3.04Å; D135-L138 HydrophobicContact CB-CB 4.02Å; D135-L138 PolarHBondContact O-N 3.04Å; L138-Y140 HydrophobicContact CD1-CE1 4.49Å; L138-Y140 HydrophobicContact CD2-CE1 4.27Å; L138-Y140 WeakPolarHBondContact CD2-OH 3.47Å; L138-Y140 HydrophobicContact CG-CE1 4.2Å; L138-Y140 HydrophobicContact CG-CE2 4.24Å; L138-Q227 HydrophobicContact CD1-CB 4.31Å; L138-R229 HydrophobicContact CD1-CB 4.18Å |
| 139 | T | 91.6 | Very high | 92.1 | Very high | 67 Ų | 67 | 42.7 Ų | 42.7 | 41% | 0.411 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 154.8 | 177.2 | 57 | 0 | 0 | 0 | 0 | 111 | R228 | T139-R228 PolarHBondContact N-O 3.42Å; T139-R228 PolarHBondContact O-N 3.2Å; T139-R228 WeakPolarHBondContact OG1-CB 3.39Å; T139-R228 PolarHBondContact OG1-O 3.28Å |
| 140 | Y | 94.1 | Very high | 91.6 | Very high | 63 Ų | 63 | 42.6 Ų | 42.6 | 25% | 0.247 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 145.9 | -175.2 | -56.4 | -81.5 | 0 | 0 | 0 | 111.1 | F86 T130 N133 L138 F225 T226 Q227 | F86-Y140 AromaticContact CE1-CE1 3.98Å; F86-Y140 HydrophobicContact CE1-CE1 3.98Å; T130-Y140 HydrophobicContact CG2-CD1 3.75Å; T130-Y140 HydrophobicContact CG2-CD2 3.85Å; T130-Y140 HydrophobicContact CG2-CE1 4.15Å; T130-Y140 HydrophobicContact CG2-CE2 4.25Å; T130-Y140 HydrophobicContact CG2-CG 3.57Å; N133-Y140 HydrophobicContact CB-CE2 3.61Å; L138-Y140 HydrophobicContact CD1-CE1 4.49Å; L138-Y140 HydrophobicContact CD2-CE1 4.27Å; L138-Y140 WeakPolarHBondContact CD2-OH 3.47Å; L138-Y140 HydrophobicContact CG-CE1 4.2Å; L138-Y140 HydrophobicContact CG-CE2 4.24Å; Y140-F225 AromaticContact CD1-CE2 3.63Å; Y140-F225 HydrophobicContact CD1-CE2 3.63Å; Y140-F225 AromaticContact CD1-CZ 3.45Å; Y140-F225 HydrophobicContact CD1-CZ 3.45Å; Y140-F225 VanDerWaalsContact CD1-CZ 3.45Å; Y140-F225 HydrophobicContact CE1-CE2 4.48Å; Y140-F225 AromaticContact CE1-CZ 3.87Å; Y140-F225 HydrophobicContact CE1-CZ 3.87Å; Y140-F225 HydrophobicContact CG-CE2 4.25Å; Y140-F225 HydrophobicContact CG-CZ 4.43Å; Y140-T226 WeakPolarHBondContact CA-O 3.39Å; Y140-Q227 HydrophobicContact CD1-CG 3.83Å; Y140-Q227 HydrophobicContact CE1-CG 3.9Å |
| 141 | S | 92.9 | Very high | 91 | Very high | 27 Ų | 27 | 42.7 Ų | 42.7 | 19% | 0.189 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 149.1 | 165.3 | 50.8 | 0 | 0 | 0 | 0 | 110.4 | T226 | S141-T226 PolarHBondContact N-O 3.16Å; S141-T226 PolarHBondContact O-N 3.4Å; S141-T226 WeakPolarHBondContact OG-CB 3.31Å |
| 142 | A | 95.6 | Very high | 90.8 | Very high | 5 Ų | 5 | 41 Ų | 41 | 4% | 0.041 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 122.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | F127 V186 I223 V224 W487 | F127-A142 HydrophobicContact CZ-CB 4.18Å; A142-V186 HydrophobicContact CB-CG2 3.99Å; A142-V186 VanDerWaalsContact O-CG2 3.26Å; A142-V186 WeakPolarHBondContact O-CG2 3.41Å; A142-V186 PolarHBondContact O-N 2.86Å; A142-I223 HydrophobicContact CB-CG2 4.47Å; A142-V224 WeakPolarHBondContact CA-O 3.32Å; A142-W487 WeakPolarHBondContact O-CH2 3.32Å |
| 143 | E | 95 | Very high | 90.6 | Very high | 25 Ų | 25 | 43 Ų | 43 | 12% | 0.117 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 139.6 | 172.4 | -60.3 | 175 | -161.9 | 0 | 0 | 109.1 | L184 I223 V224 W487 K490 | E143-L184 CarbonylContact C-O 3.54Å; E143-L184 WeakPolarHBondContact CA-O 3.33Å; E143-I223 CarbonylContact O-C 3.32Å; E143-I223 WeakPolarHBondContact O-CA 3.38Å; E143-V224 HydrophobicContact CB-CB 4.34Å; E143-V224 PolarHBondContact N-O 3.05Å; E143-V224 PolarHBondContact O-N 2.99Å; E143-W487 HydrophobicContact CG-CZ3 4Å; E143-K490 WeakPolarHBondContact OE1-CD 3.31Å; E143-K490 WeakPolarHBondContact OE1-CE 3.02Å; E143-K490 IonicContact OE1-NZ 2.72Å; E143-K490 PolarHBondContact OE1-NZ 3.33Å; E143-K490 IonicContact OE2-NZ 3.6Å |
| 144 | V | 96.6 | Very high | 90.6 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.006 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 144.7 | 177.6 | -63 | 0 | 0 | 0 | 0 | 112.7 | L158 K183 L184 V186 I192 L195 F221 T222 I223 | V144-L158 HydrophobicContact CG2-CD1 4.24Å; V144-K183 WeakPolarHBondContact O-CA 3.41Å; V144-L184 HydrophobicContact CG2-CB 4.31Å; V144-L184 PolarHBondContact N-O 2.9Å; V144-L184 PolarHBondContact O-N 3.36Å; V144-V186 HydrophobicContact CG1-CG2 3.95Å; V144-V186 HydrophobicContact CG2-CG1 3.93Å; V144-V186 HydrophobicContact CG2-CG2 4.43Å; V144-I192 HydrophobicContact CG1-CD1 3.56Å; V144-I192 HydrophobicContact CG1-CG1 3.99Å; V144-L195 HydrophobicContact CG2-CD1 3.48Å; V144-L195 VanDerWaalsContact CG2-CD1 3.48Å; V144-F221 HydrophobicContact CB-CZ 4.31Å; V144-F221 HydrophobicContact CG1-CZ 4.13Å; V144-T222 WeakPolarHBondContact CA-O 3.44Å; V144-I223 HydrophobicContact CG1-CG1 4.23Å; V144-I223 HydrophobicContact CG1-CG2 4.26Å |
| 145 | S | 95.5 | Very high | 90.7 | Very high | 12 Ų | 12 | 39.7 Ų | 39.7 | 8% | 0.084 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 140.7 | 170.3 | 54.1 | 0 | 0 | 0 | 0 | 109.2 | S182 T222 | S145-S182 WeakPolarHBondContact CA-O 3.23Å; S145-S182 WeakPolarHBondContact CB-O 3.34Å; S145-T222 PolarHBondContact N-O 2.69Å; S145-T222 PolarHBondContact O-N 3.02Å |
| 146 | Y | 95.6 | Very high | 90.9 | Very high | 7 Ų | 7 | 37.7 Ų | 37.7 | 3% | 0.027 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 121.9 | 177.7 | -164.2 | -169.5 | 0 | 0 | 0 | 109 | L157 L158 N200 A219 F221 | Y146-L157 HydrophobicContact CD1-CB 4.15Å; Y146-L157 HydrophobicContact CD1-CD1 4.02Å; Y146-L157 HydrophobicContact CD2-CD1 3.89Å; Y146-L157 HydrophobicContact CE1-CD1 4.04Å; Y146-L157 HydrophobicContact CE2-CD1 3.95Å; Y146-L157 HydrophobicContact CG-CB 4.14Å; Y146-L157 HydrophobicContact CG-CD1 3.93Å; Y146-L157 WeakPolarHBondContact O-CB 3.35Å; Y146-L157 PolarHBondContact O-N 2.82Å; Y146-L158 HydrophobicContact CD1-CD2 4.4Å; Y146-N200 PolarHBondContact OH-OD1 2.73Å; Y146-A219 HydrophobicContact CE2-CB 3.91Å; Y146-F221 AromaticContact CD1-CD2 3.97Å; Y146-F221 HydrophobicContact CD1-CD2 3.97Å; Y146-F221 HydrophobicContact CD2-CB 3.77Å; Y146-F221 AromaticContact CD2-CD2 3.85Å; Y146-F221 HydrophobicContact CD2-CD2 3.85Å; Y146-F221 HydrophobicContact CD2-CG 4.33Å; Y146-F221 HydrophobicContact CE1-CD2 4.49Å; Y146-F221 HydrophobicContact CE2-CB 3.92Å; Y146-F221 HydrophobicContact CE2-CD2 4.34Å; Y146-F221 HydrophobicContact CG-CB 4.45Å; Y146-F221 AromaticContact CG-CD2 3.65Å; Y146-F221 HydrophobicContact CG-CD2 3.65Å; Y146-F221 HydrophobicContact CG-CE2 4.48Å |
| 147 | M | 93.4 | Very high | 91.2 | Very high | 11 Ų | 11 | 32.5 Ų | 32.5 | 5% | 0.054 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 152.5 | -177 | 60.8 | 173.4 | 162.8 | 0 | 0 | 112.7 | V154 R155 V178 L181 A219 V220 L309 | M147-V154 HydrophobicContact CB-CG1 4.15Å; M147-V154 HydrophobicContact SD-CG1 3.78Å; M147-R155 CarbonylContact C-O 3.6Å; M147-R155 VanDerWaalsContact CA-O 3.24Å; M147-R155 WeakPolarHBondContact CA-O 3.47Å; M147-R155 WeakPolarHBondContact CB-O 3.43Å; M147-V178 HydrophobicContact CE-CG2 4.33Å; M147-V178 HydrophobicContact SD-CG2 3.75Å; M147-L181 HydrophobicContact CB-CD1 3.97Å; M147-L181 HydrophobicContact CE-CD2 4.5Å; M147-L181 HydrophobicContact CG-CD2 4.48Å; M147-L181 HydrophobicContact SD-CD2 3.93Å; M147-A219 WeakPolarHBondContact O-CA 3.44Å; M147-V220 HydrophobicContact CE-CB 3.75Å; M147-V220 HydrophobicContact CE-CG1 3.62Å; M147-V220 HydrophobicContact CE-CG2 4.28Å; M147-V220 HydrophobicContact CG-CB 3.9Å; M147-V220 PolarHBondContact N-O 2.84Å; M147-V220 PolarHBondContact O-N 3.26Å; M147-L309 HydrophobicContact CE-CD1 4.08Å; M147-L309 HydrophobicContact SD-CD1 4.31Å |
| 148 | E | 91.1 | Very high | 91.3 | Very high | 6 Ų | 6 | 31 Ų | 31 | 3% | 0.028 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 131.2 | 171.7 | -175.3 | 172.3 | -129 | 0 | 0 | 110.1 | V154 R155 L157 R203 S217 | E148-V154 CarbonylContact O-C 3.57Å; E148-V154 WeakPolarHBondContact O-CA 3.22Å; E148-R155 HydrophobicContact CB-CB 4.47Å; E148-R155 PolarHBondContact N-O 2.9Å; E148-R155 PolarHBondContact O-N 2.81Å; E148-L157 HydrophobicContact CB-CD1 4.15Å; E148-L157 HydrophobicContact CB-CD2 4.02Å; E148-L157 HydrophobicContact CB-CG 4.12Å; E148-R203 WeakPolarHBondContact OE1-CG 2.94Å; E148-R203 IonicContact OE1-NE 3.39Å; E148-S217 VanDerWaalsContact CG-CB 3.44Å; E148-S217 WeakPolarHBondContact OE1-CB 3.41Å; E148-S217 PolarHBondContact OE1-OG 3.42Å |
| 149 | I | 91 | Very high | 91 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 107.6 | 171.9 | -52.6 | 171.6 | 0 | 0 | 0 | 107.5 | R153 V154 S217 H218 V220 V305 L306 L309 | I149-R153 CarbonylContact C-O 3.52Å; I149-R153 WeakPolarHBondContact CA-O 3.35Å; I149-V154 HydrophobicContact CG1-CG2 4.46Å; I149-S217 WeakPolarHBondContact O-CA 3.35Å; I149-H218 HydrophobicContact CB-CB 4.29Å; I149-H218 PolarHBondContact N-O 2.64Å; I149-H218 PolarHBondContact O-CD2 3.19Å; I149-H218 PolarHBondContact O-N 2.68Å; I149-V220 HydrophobicContact CD1-CG2 4.09Å; I149-V305 HydrophobicContact CD1-CG1 4.36Å; I149-V305 HydrophobicContact CG2-CB 4.33Å; I149-V305 HydrophobicContact CG2-CG1 3.8Å; I149-L306 HydrophobicContact CD1-CD1 4.09Å; I149-L309 HydrophobicContact CD1-CD1 3.87Å |
| 150 | Y | 85.9 | Confident | 89.9 | Confident | 54 Ų | 54 | 31.3 Ų | 31.3 | 21% | 0.212 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 127.9 | -178.5 | 176.8 | -119.4 | 0 | 0 | 0 | 110.6 | E152 R153 T213 R216 E267 I271 | Y150-E152 PolarHBondContact O-N 3.34Å; Y150-R153 PolarHBondContact N-O 2.95Å; Y150-R153 WeakPolarHBondContact O-CB 3.4Å; Y150-R153 PolarHBondContact O-N 2.95Å; Y150-T213 HydrophobicContact CD1-CG2 4.44Å; Y150-T213 HydrophobicContact CD2-CG2 4.07Å; Y150-T213 HydrophobicContact CE1-CG2 4.39Å; Y150-T213 HydrophobicContact CE2-CG2 4.03Å; Y150-T213 HydrophobicContact CG-CG2 4.27Å; Y150-R216 HydrophobicContact CD2-CB 4.41Å; Y150-R216 HydrophobicContact CE2-CB 3.97Å; Y150-E267 HydrophobicContact CE2-CG 4.29Å; Y150-E267 VanDerWaalsContact OH-CD 3.31Å; Y150-E267 WeakPolarHBondContact OH-CG 3.38Å; Y150-E267 PolarHBondContact OH-OE1 3.08Å; Y150-I271 HydrophobicContact CE2-CD1 4.39Å |
| 151 | C | 81.2 | Confident | 88.8 | Confident | 29 Ų | 29 | 31.4 Ų | 31.4 | 20% | 0.196 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.7 | 40.1 | -177.9 | -68.5 | 0 | 0 | 0 | 0 | 114.5 | R153 N270 | C151-R153 PolarHBondContact O-N 3.05Å; C151-N270 HydrophobicContact CB-CB 4.16Å |
| 152 | E | 87.2 | Confident | 87.6 | Confident | 34 Ų | 34 | 31.3 Ų | 31.3 | 16% | 0.159 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.9 | 20 | -176 | -49.9 | -74.2 | 107.7 | 0 | 0 | 114.8 | Y150 N270 K273 S274 S304 V305 | Y150-E152 PolarHBondContact O-N 3.34Å; E152-N270 HydrophobicContact CG-CB 4.43Å; E152-K273 HydrophobicContact CG-CD 4.06Å; E152-K273 IonicContact OE2-NZ 3.63Å; E152-K273 PolarHBondContact OE2-NZ 3.41Å; E152-S274 WeakPolarHBondContact OE1-CB 3.42Å; E152-S274 PolarHBondContact OE1-OG 2.96Å; E152-S304 WeakPolarHBondContact OE2-CA 3.37Å; E152-S304 VanDerWaalsContact OE2-CB 3.3Å; E152-S304 WeakPolarHBondContact OE2-CB 3.42Å; E152-V305 HydrophobicContact CB-CG2 4.32Å; E152-V305 PolarHBondContact OE2-N 3.11Å; E152-V305 VanDerWaalsContact OE2-N 3.11Å |
| 153 | R | 86.8 | Confident | 85.8 | Confident | 174 Ų | 174 | 40 Ų | 40 | 66% | 0.657 | 19% | 0.191 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 147 | 168.2 | -68.2 | -178.3 | 174.6 | -151.1 | -4.6 | 109.9 | I149 Y150 C151 S165 | I149-R153 CarbonylContact C-O 3.52Å; I149-R153 WeakPolarHBondContact CA-O 3.35Å; Y150-R153 PolarHBondContact N-O 2.95Å; Y150-R153 WeakPolarHBondContact O-CB 3.4Å; Y150-R153 PolarHBondContact O-N 2.95Å; C151-R153 PolarHBondContact O-N 3.05Å; R153-S165 WeakPolarHBondContact CA-OG 3.49Å; R153-S165 WeakPolarHBondContact CB-OG 3.08Å |
| 154 | V | 91.1 | Very high | 84.4 | Confident | 3 Ų | 3 | 41.5 Ų | 41.5 | 2% | 0.018 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 132.2 | 176.9 | -173.9 | 0 | 0 | 0 | 0 | 109 | M147 E148 I149 S165 L166 V168 V178 V305 L309 | M147-V154 HydrophobicContact CB-CG1 4.15Å; M147-V154 HydrophobicContact SD-CG1 3.78Å; E148-V154 CarbonylContact O-C 3.57Å; E148-V154 WeakPolarHBondContact O-CA 3.22Å; I149-V154 HydrophobicContact CG1-CG2 4.46Å; V154-S165 PolarHBondContact N-OG 2.93Å; V154-S165 CarbonylContact O-C 3.57Å; V154-S165 VanDerWaalsContact O-CA 3.28Å; V154-S165 WeakPolarHBondContact O-CA 3.41Å; V154-S165 PolarHBondContact O-OG 2.97Å; V154-L166 HydrophobicContact CB-CB 4.26Å; V154-L166 HydrophobicContact CG1-CB 4.4Å; V154-L166 PolarHBondContact O-N 3.41Å; V154-V168 HydrophobicContact CG2-CG2 3.81Å; V154-V178 HydrophobicContact CB-CG1 4.47Å; V154-V178 HydrophobicContact CG1-CG1 3.91Å; V154-V178 HydrophobicContact CG1-CG2 4.23Å; V154-V305 HydrophobicContact CG2-CG1 3.65Å; V154-L309 HydrophobicContact CG2-CD1 4.49Å |
| 155 | R | 89.2 | Confident | 83.8 | Confident | 100 Ų | 100 | 44 Ų | 44 | 38% | 0.377 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 138.7 | 175.5 | -171 | -173.5 | -178.7 | 179.9 | 2.3 | 110 | M147 E148 | M147-R155 CarbonylContact C-O 3.6Å; M147-R155 VanDerWaalsContact CA-O 3.24Å; M147-R155 WeakPolarHBondContact CA-O 3.47Å; M147-R155 WeakPolarHBondContact CB-O 3.43Å; E148-R155 HydrophobicContact CB-CB 4.47Å; E148-R155 PolarHBondContact N-O 2.9Å; E148-R155 PolarHBondContact O-N 2.81Å |
| 156 | D | 92.3 | Very high | 83.5 | Confident | 3 Ų | 3 | 44.9 Ų | 44.9 | 2% | 0.016 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 133.5 | 169.4 | -159.3 | -36.2 | 0 | 0 | 0 | 110.1 | L158 N159 L166 L181 S182 | D156-L158 WeakPolarHBondContact OD1-CA 3.3Å; D156-L158 PolarHBondContact OD1-N 2.85Å; D156-N159 HydrophobicContact CB-CB 4.07Å; D156-N159 PolarHBondContact OD1-N 2.86Å; D156-N159 VanDerWaalsContact OD1-N 3.1Å; D156-L166 HydrophobicContact CB-CD1 4.16Å; D156-L181 HydrophobicContact CB-CD1 4.3Å; D156-S182 WeakPolarHBondContact OD2-CB 3.32Å; D156-S182 PolarHBondContact OD2-N 3.37Å; D156-S182 PolarHBondContact OD2-OG 3.08Å |
| 157 | L | 90.3 | Very high | 83.2 | Confident | 4 Ų | 4 | 52.5 Ų | 52.5 | 2% | 0.021 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -99.9 | -12.8 | 174.3 | -63.8 | 177 | 0 | 0 | 0 | 112.5 | Y146 E148 A202 R203 | Y146-L157 HydrophobicContact CD1-CB 4.15Å; Y146-L157 HydrophobicContact CD1-CD1 4.02Å; Y146-L157 HydrophobicContact CD2-CD1 3.89Å; Y146-L157 HydrophobicContact CE1-CD1 4.04Å; Y146-L157 HydrophobicContact CE2-CD1 3.95Å; Y146-L157 HydrophobicContact CG-CB 4.14Å; Y146-L157 HydrophobicContact CG-CD1 3.93Å; Y146-L157 WeakPolarHBondContact O-CB 3.35Å; Y146-L157 PolarHBondContact O-N 2.82Å; E148-L157 HydrophobicContact CB-CD1 4.15Å; E148-L157 HydrophobicContact CB-CD2 4.02Å; E148-L157 HydrophobicContact CB-CG 4.12Å; L157-A202 HydrophobicContact CD2-CB 4.17Å; L157-R203 HydrophobicContact CD1-CB 4.45Å; L157-R203 HydrophobicContact CD2-CB 4.28Å |
| 158 | L | 89.8 | Confident | 83.1 | Confident | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -96.6 | -14 | 177.1 | -54.6 | -171.8 | 0 | 0 | 0 | 112.9 | V144 Y146 D156 L184 L195 R501 | V144-L158 HydrophobicContact CG2-CD1 4.24Å; Y146-L158 HydrophobicContact CD1-CD2 4.4Å; D156-L158 WeakPolarHBondContact OD1-CA 3.3Å; D156-L158 PolarHBondContact OD1-N 2.85Å; L158-L184 HydrophobicContact CB-CD1 3.96Å; L158-L184 HydrophobicContact CD1-CD1 4.04Å; L158-L184 HydrophobicContact CD1-CG 4.24Å; L158-L195 HydrophobicContact CD2-CB 4.11Å; L158-L195 WeakPolarHBondContact CD2-O 3.26Å; L158-R501 PolarHBondContact O-NE 2.82Å; L158-R501 PolarHBondContact O-NH2 3.41Å |
| 159 | N | 84.4 | Confident | 82.9 | Confident | 36 Ų | 36 | 54.7 Ų | 54.7 | 19% | 0.193 | 27% | 0.274 | C | S | . | . | trans | -109.2 | 112.9 | 177.1 | -173.8 | -13.3 | 0 | 0 | 0 | 113 | D156 T161 S162 S182 | D156-N159 HydrophobicContact CB-CB 4.07Å; D156-N159 PolarHBondContact OD1-N 2.86Å; D156-N159 VanDerWaalsContact OD1-N 3.1Å; N159-T161 PolarHBondContact OD1-N 2.87Å; N159-T161 PolarHBondContact OD1-OG1 2.94Å; N159-S162 WeakPolarHBondContact O-CB 3.24Å; N159-S162 PolarHBondContact O-N 2.87Å; N159-S162 PolarHBondContact O-OG 2.88Å; N159-S162 PolarHBondContact OD1-N 2.77Å; N159-S182 WeakPolarHBondContact CB-OG 3.28Å | ||
| 160 | P | 69.4 | Low | 82.6 | Confident | 61 Ų | 61 | 57 Ų | 57 | 40% | 0.396 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -24.9 | 178.2 | 33.9 | -37.6 | 0 | 0 | 0 | 113.5 | S162 R501 L504 | P160-S162 VanDerWaalsContact C-N 3.28Å; P160-S162 PolarHBondContact O-N 3.41Å; P160-R501 HydrophobicContact CG-CG 3.74Å; P160-L504 HydrophobicContact CB-CD1 4.47Å; P160-L504 HydrophobicContact CG-CD1 4.25Å |
| 161 | T | 70.8 | Confident | 82 | Confident | 66 Ų | 66 | 55.6 Ų | 55.6 | 41% | 0.405 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | 5 | 179.7 | 65.5 | 0 | 0 | 0 | 0 | 112.9 | N159 Q163 E500 | N159-T161 PolarHBondContact OD1-N 2.87Å; N159-T161 PolarHBondContact OD1-OG1 2.94Å; T161-Q163 VanDerWaalsContact C-N 3.33Å; T161-Q163 PolarHBondContact O-N 3.18Å; T161-E500 WeakPolarHBondContact CG2-OE1 3.42Å |
| 162 | S | 67.8 | Low | 81.2 | Confident | 24 Ų | 24 | 60.2 Ų | 60.2 | 17% | 0.168 | 31% | 0.31 | C | S | . | . | trans | -67.2 | 79.1 | 179.2 | 61.6 | 0 | 0 | 0 | 0 | 113.7 | N159 P160 G164 | N159-S162 WeakPolarHBondContact O-CB 3.24Å; N159-S162 PolarHBondContact O-N 2.87Å; N159-S162 PolarHBondContact O-OG 2.88Å; N159-S162 PolarHBondContact OD1-N 2.77Å; P160-S162 VanDerWaalsContact C-N 3.28Å; P160-S162 PolarHBondContact O-N 3.41Å; S162-G164 PolarHBondContact O-N 3.47Å | ||
| 163 | Q | 58.3 | Low | 80.2 | Confident | 187 Ų | 187 | 65.7 Ų | 65.7 | 87% | 0.874 | 34% | 0.338 | S | S | * | . | trans | -77.1 | 76.4 | 179 | -66.7 | -61.6 | -23.9 | 0 | 0 | 112.7 | T161 | T161-Q163 VanDerWaalsContact C-N 3.33Å; T161-Q163 PolarHBondContact O-N 3.18Å | ||
| 164 | G | 65.3 | Low | 79.2 | Confident | 57 Ų | 57 | 61 Ų | 61 | 59% | 0.588 | 33% | 0.326 | S | S | * | . | S | Bend | trans | 144.5 | -149.9 | 165.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | S162 | S162-G164 PolarHBondContact O-N 3.47Š|
| 165 | S | 83.1 | Confident | 78.6 | Confident | 53 Ų | 53 | 61.5 Ų | 61.5 | 37% | 0.371 | 33% | 0.331 | S | S | . | . | trans | -105 | 126.5 | 169.5 | 178.8 | 0 | 0 | 0 | 0 | 108.9 | R153 V154 | R153-S165 WeakPolarHBondContact CA-OG 3.49Å; R153-S165 WeakPolarHBondContact CB-OG 3.08Å; V154-S165 PolarHBondContact N-OG 2.93Å; V154-S165 CarbonylContact O-C 3.57Å; V154-S165 VanDerWaalsContact O-CA 3.28Å; V154-S165 WeakPolarHBondContact O-CA 3.41Å; V154-S165 PolarHBondContact O-OG 2.97Å | ||
| 166 | L | 90.3 | Very high | 78.5 | Confident | 32 Ų | 32 | 56.9 Ų | 56.9 | 17% | 0.168 | 32% | 0.315 | C | S | . | . | B | Isolated β-bridge | trans | -63.7 | 158 | 165.5 | -58 | -175.4 | 0 | 0 | 0 | 110.3 | V154 D156 V178 D180 L181 | V154-L166 HydrophobicContact CB-CB 4.26Å; V154-L166 HydrophobicContact CG1-CB 4.4Å; V154-L166 PolarHBondContact O-N 3.41Å; D156-L166 HydrophobicContact CB-CD1 4.16Å; L166-V178 HydrophobicContact CB-CG1 3.53Å; L166-V178 HydrophobicContact CD1-CG1 3.71Å; L166-V178 HydrophobicContact CG-CG1 4.29Å; L166-D180 HydrophobicContact CD2-CB 4.18Å; L166-L181 HydrophobicContact CD1-CB 3.89Å; L166-L181 HydrophobicContact CD1-CD1 4.03Å |
| 167 | R | 89.3 | Confident | 78.2 | Confident | 167 Ų | 167 | 58.9 Ų | 58.9 | 63% | 0.63 | 32% | 0.322 | S | S | * | . | P | Polyproline II helix | trans | -101.1 | 146.7 | 179.3 | -65.3 | -177.4 | 178.5 | -169.5 | 2.1 | 110.4 | V178 E179 | R167-V178 WeakPolarHBondContact O-CA 3.34Å; R167-E179 PolarHBondContact O-N 3.29Å |
| 168 | V | 91 | Very high | 78.3 | Confident | 24 Ų | 24 | 59.3 Ų | 59.3 | 15% | 0.145 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 130.3 | 169.1 | -176.6 | 0 | 0 | 0 | 0 | 108.8 | V154 Y177 V178 V305 W308 L309 | V154-V168 HydrophobicContact CG2-CG2 3.81Å; V168-Y177 WeakPolarHBondContact CA-O 3.49Å; V168-Y177 WeakPolarHBondContact CG1-O 3.41Å; V168-V178 HydrophobicContact CG2-CG2 4.37Å; V168-V305 HydrophobicContact CG2-CG1 4Å; V168-W308 HydrophobicContact CB-CE3 3.87Å; V168-W308 HydrophobicContact CB-CZ3 3.72Å; V168-W308 HydrophobicContact CG1-CD2 3.86Å; V168-W308 HydrophobicContact CG1-CE3 3.41Å; V168-W308 VanDerWaalsContact CG1-CE3 3.41Å; V168-W308 HydrophobicContact CG1-CH2 4.19Å; V168-W308 HydrophobicContact CG1-CZ3 3.59Å; V168-W308 WeakPolarHBondContact O-CH2 3.4Å; V168-W308 WeakPolarHBondContact O-CZ3 3.27Å; V168-L309 HydrophobicContact CG1-CD2 3.82Å; V168-L309 HydrophobicContact CG1-CG 4.17Å; V168-L309 HydrophobicContact CG2-CD1 4.12Å; V168-L309 HydrophobicContact CG2-CD2 4.29Å; V168-L309 HydrophobicContact CG2-CG 4.29Å |
| 169 | R | 87.3 | Confident | 78.2 | Confident | 39 Ų | 39 | 60.7 Ų | 60.7 | 15% | 0.147 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 170.3 | 178.7 | -59 | 179.7 | 90.2 | 118.1 | 8.3 | 108.6 | P176 Y177 E179 E471 E475 | R169-P176 CarbonylContact O-C 3.57Å; R169-P176 VanDerWaalsContact O-CA 3.32Å; R169-P176 WeakPolarHBondContact O-CA 3.41Å; R169-Y177 HydrophobicContact CB-CD1 4.27Å; R169-Y177 HydrophobicContact CB-CE1 3.58Å; R169-Y177 HydrophobicContact CB-CE2 4.42Å; R169-Y177 PolarHBondContact N-O 3.41Å; R169-Y177 PolarHBondContact O-N 3.43Å; R169-E179 VanDerWaalsContact CD-OE2 3.26Å; R169-E179 WeakPolarHBondContact CD-OE2 3.45Å; R169-E179 IonicContact CZ-OE2 3.43Å; R169-E179 IonicContact NE-OE2 3.38Å; R169-E179 IonicContact NH1-OE2 3.06Å; R169-E179 PolarHBondContact NH1-OE2 2.72Å; R169-E471 IonicContact CZ-OE1 3.93Å; R169-E471 IonicContact NH1-OE1 2.72Å; R169-E471 IonicContact NH2-OE1 3.5Å; R169-E471 PolarHBondContact NH2-OE1 2.83Å; R169-E475 IonicContact CZ-OE1 3.4Å; R169-E475 IonicContact CZ-OE2 3.51Å; R169-E475 IonicContact NE-OE1 3.98Å; R169-E475 IonicContact NE-OE2 2.77Å; R169-E475 PolarHBondContact NE-OE2 2.62Å; R169-E475 IonicContact NH2-OE1 2.65Å; R169-E475 PolarHBondContact NH2-OE1 2.78Å; R169-E475 IonicContact NH2-OE2 3.4Å; R169-E475 PolarHBondContact NH2-OE2 2.86Å |
| 170 | E | 82.9 | Confident | 78.4 | Confident | 49 Ų | 49 | 63.6 Ų | 63.6 | 23% | 0.229 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 105 | -179.3 | -179.8 | 166.4 | -155.1 | 0 | 0 | 110.4 | G175 P176 R302 W308 K311 | E170-G175 WeakPolarHBondContact CA-O 3.41Å; E170-P176 HydrophobicContact CG-CG 4.06Å; E170-R302 IonicContact OE2-CZ 3.42Å; E170-R302 VanDerWaalsContact OE2-CZ 3.28Å; E170-R302 IonicContact OE2-NE 3.64Å; E170-R302 PolarHBondContact OE2-NE 3.43Å; E170-R302 IonicContact OE2-NH2 3.41Å; E170-R302 PolarHBondContact OE2-NH2 2.88Å; E170-W308 HydrophobicContact CB-CZ2 3.71Å; E170-W308 PolarHBondContact OE2-NE1 3.05Å; E170-K311 IonicContact OE1-NZ 3.78Å; E170-K311 PolarHBondContact OE1-NZ 3.27Å |
| 171 | H | 73.9 | Confident | 79.4 | Confident | 24 Ų | 24 | 61.8 Ų | 61.8 | 11% | 0.111 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 140.7 | 179.9 | -176.2 | -113.9 | 0 | 0 | 0 | 110.1 | I173 L174 G175 Y177 I479 | H171-I173 PolarHBondContact O-N 2.8Å; H171-L174 HydrophobicContact CB-CB 4.13Å; H171-L174 PolarHBondContact ND1-N 2.83Å; H171-L174 PolarHBondContact O-N 3.22Å; H171-G175 PolarHBondContact N-O 3.19Å; H171-G175 WeakPolarHBondContact O-CA 3.3Å; H171-G175 PolarHBondContact O-N 3.23Å; H171-Y177 HydrophobicContact CB-CD1 4.22Å; H171-Y177 HydrophobicContact CB-CE1 3.92Å; H171-I479 HydrophobicContact CB-CD1 4.25Å |
| 172 | P | 65.4 | Low | 80.4 | Confident | 127 Ų | 127 | 59.4 Ų | 59.4 | 83% | 0.825 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -26.8 | -175.1 | -28.6 | 36.7 | 0 | 0 | 0 | 115.4 | ||
| 173 | I | 66 | Low | 81.5 | Confident | 149 Ų | 149 | 62.5 Ų | 62.5 | 76% | 0.764 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.1 | -36.4 | -178.4 | -57.1 | 175.6 | 0 | 0 | 0 | 112.4 | H171 | H171-I173 PolarHBondContact O-N 2.8Š|
| 174 | L | 65.5 | Low | 83.1 | Confident | 75 Ų | 75 | 53.7 Ų | 53.7 | 39% | 0.393 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -4.3 | -174.2 | -57.4 | 173.1 | 0 | 0 | 0 | 113.4 | H171 I479 L483 | H171-L174 HydrophobicContact CB-CB 4.13Å; H171-L174 PolarHBondContact ND1-N 2.83Å; H171-L174 PolarHBondContact O-N 3.22Å; L174-I479 HydrophobicContact CD1-CG2 3.57Å; L174-L483 HydrophobicContact CD1-CD1 4.48Å |
| 175 | G | 78.1 | Confident | 84.4 | Confident | 13 Ų | 13 | 51 Ų | 51 | 13% | 0.134 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 66.1 | -157 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | E170 H171 | E170-G175 WeakPolarHBondContact CA-O 3.41Å; H171-G175 PolarHBondContact N-O 3.19Å; H171-G175 WeakPolarHBondContact O-CA 3.3Å; H171-G175 PolarHBondContact O-N 3.23Å |
| 176 | P | 86.3 | Confident | 84.9 | Confident | 4 Ų | 4 | 48.6 Ų | 48.6 | 3% | 0.026 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 126.7 | 179.9 | -23.2 | 37.3 | 0 | 0 | 0 | 112.8 | R169 E170 W308 K311 | R169-P176 CarbonylContact O-C 3.57Å; R169-P176 VanDerWaalsContact O-CA 3.32Å; R169-P176 WeakPolarHBondContact O-CA 3.41Å; E170-P176 HydrophobicContact CG-CG 4.06Å; P176-W308 HydrophobicContact CB-CG 4.23Å; P176-W308 WeakPolarHBondContact CB-O 3.32Å; P176-W308 VanDerWaalsContact CG-CD1 3.44Å; P176-W308 HydrophobicContact CG-CG 4.34Å; P176-W308 VanDerWaalsContact CG-O 3.28Å; P176-W308 WeakPolarHBondContact CG-O 3.18Å; P176-K311 HydrophobicContact CG-CB 4.23Å; P176-K311 HydrophobicContact CG-CD 3.85Å |
| 177 | Y | 87.8 | Confident | 84.9 | Confident | 44 Ų | 44 | 51.2 Ų | 51.2 | 17% | 0.173 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 164.4 | 178.9 | 74.4 | -78 | 0 | 0 | 0 | 111.1 | V168 R169 H171 E179 I479 | V168-Y177 WeakPolarHBondContact CA-O 3.49Å; V168-Y177 WeakPolarHBondContact CG1-O 3.41Å; R169-Y177 HydrophobicContact CB-CD1 4.27Å; R169-Y177 HydrophobicContact CB-CE1 3.58Å; R169-Y177 HydrophobicContact CB-CE2 4.42Å; R169-Y177 PolarHBondContact N-O 3.41Å; R169-Y177 PolarHBondContact O-N 3.43Å; H171-Y177 HydrophobicContact CB-CD1 4.22Å; H171-Y177 HydrophobicContact CB-CE1 3.92Å; Y177-E179 HydrophobicContact CE2-CB 4.41Å; Y177-I479 HydrophobicContact CE1-CD1 4.22Å; Y177-I479 HydrophobicContact CE2-CD1 4.45Å |
| 178 | V | 91.6 | Very high | 85 | Confident | 14 Ų | 14 | 44.1 Ų | 44.1 | 9% | 0.085 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 124.9 | 173.9 | -173 | 0 | 0 | 0 | 0 | 108.2 | M147 V154 L166 R167 V168 L181 L309 | M147-V178 HydrophobicContact CE-CG2 4.33Å; M147-V178 HydrophobicContact SD-CG2 3.75Å; V154-V178 HydrophobicContact CB-CG1 4.47Å; V154-V178 HydrophobicContact CG1-CG1 3.91Å; V154-V178 HydrophobicContact CG1-CG2 4.23Å; L166-V178 HydrophobicContact CB-CG1 3.53Å; L166-V178 HydrophobicContact CD1-CG1 3.71Å; L166-V178 HydrophobicContact CG-CG1 4.29Å; R167-V178 WeakPolarHBondContact O-CA 3.34Å; V168-V178 HydrophobicContact CG2-CG2 4.37Å; V178-L181 HydrophobicContact CB-CB 3.83Å; V178-L181 HydrophobicContact CB-CD2 3.99Å; V178-L181 HydrophobicContact CG1-CB 3.85Å; V178-L181 HydrophobicContact CG2-CD2 4.2Å; V178-L309 HydrophobicContact CG2-CD1 4.02Å; V178-L309 HydrophobicContact CG2-CD2 3.71Å |
| 179 | E | 87.4 | Confident | 85.1 | Confident | 30 Ų | 30 | 44.4 Ų | 44.4 | 14% | 0.14 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | 139.2 | 172.9 | 175.7 | 163.4 | -138.2 | 0 | 0 | 110.2 | R167 R169 Y177 L181 K478 | R167-E179 PolarHBondContact O-N 3.29Å; R169-E179 VanDerWaalsContact CD-OE2 3.26Å; R169-E179 WeakPolarHBondContact CD-OE2 3.45Å; R169-E179 IonicContact CZ-OE2 3.43Å; R169-E179 IonicContact NE-OE2 3.38Å; R169-E179 IonicContact NH1-OE2 3.06Å; R169-E179 PolarHBondContact NH1-OE2 2.72Å; Y177-E179 HydrophobicContact CE2-CB 4.41Å; E179-L181 PolarHBondContact O-N 2.94Å; E179-K478 IonicContact OE1-NZ 3.88Å; E179-K478 PolarHBondContact OE1-NZ 2.74Å |
| 180 | D | 88.3 | Confident | 85.3 | Confident | 97 Ų | 97 | 46.8 Ų | 46.8 | 52% | 0.519 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 21.9 | 179.1 | -52.8 | -34 | 0 | 0 | 0 | 115.8 | L166 K478 | L166-D180 HydrophobicContact CD2-CB 4.18Å; D180-K478 WeakPolarHBondContact OD1-CE 3.45Å; D180-K478 IonicContact OD1-NZ 3.37Å; D180-K478 PolarHBondContact OD1-NZ 3.05Å; D180-K478 IonicContact OD2-NZ 2.83Å |
| 181 | L | 91.5 | Very high | 85.6 | Confident | 23 Ų | 23 | 46.4 Ų | 46.4 | 12% | 0.12 | 26% | 0.259 | C | S | . | . | trans | -77.1 | 128 | 171 | 177.4 | 63.9 | 0 | 0 | 0 | 111 | M147 D156 L166 V178 E179 K183 | M147-L181 HydrophobicContact CB-CD1 3.97Å; M147-L181 HydrophobicContact CE-CD2 4.5Å; M147-L181 HydrophobicContact CG-CD2 4.48Å; M147-L181 HydrophobicContact SD-CD2 3.93Å; D156-L181 HydrophobicContact CB-CD1 4.3Å; L166-L181 HydrophobicContact CD1-CB 3.89Å; L166-L181 HydrophobicContact CD1-CD1 4.03Å; V178-L181 HydrophobicContact CB-CB 3.83Å; V178-L181 HydrophobicContact CB-CD2 3.99Å; V178-L181 HydrophobicContact CG1-CB 3.85Å; V178-L181 HydrophobicContact CG2-CD2 4.2Å; E179-L181 PolarHBondContact O-N 2.94Å; L181-K183 PolarHBondContact O-N 2.89Å | ||
| 182 | S | 90.9 | Very high | 86.6 | Confident | 16 Ų | 16 | 45.3 Ų | 45.3 | 11% | 0.112 | 25% | 0.254 | C | S | . | . | trans | -65.6 | 128.9 | -178.3 | -52.1 | 0 | 0 | 0 | 0 | 112 | S145 D156 N159 | S145-S182 WeakPolarHBondContact CA-O 3.23Å; S145-S182 WeakPolarHBondContact CB-O 3.34Å; D156-S182 WeakPolarHBondContact OD2-CB 3.32Å; D156-S182 PolarHBondContact OD2-N 3.37Å; D156-S182 PolarHBondContact OD2-OG 3.08Å; N159-S182 WeakPolarHBondContact CB-OG 3.28Å | ||
| 183 | K | 90.4 | Very high | 87.8 | Confident | 88 Ų | 88 | 43.5 Ų | 43.5 | 38% | 0.383 | 23% | 0.231 | S | C | . | . | trans | -114.5 | 106.5 | 170.3 | -55.3 | 159 | -165.2 | 161.5 | 0 | 105.9 | V144 L181 E482 | V144-K183 WeakPolarHBondContact O-CA 3.41Å; L181-K183 PolarHBondContact O-N 2.89Å; K183-E482 IonicContact NZ-OE2 2.57Å; K183-E482 PolarHBondContact NZ-OE2 3.34Å | ||
| 184 | L | 92.1 | Very high | 88.8 | Confident | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 122 | -176.6 | -57.4 | -171.5 | 0 | 0 | 0 | 109.4 | E143 V144 L158 L195 T494 I497 | E143-L184 CarbonylContact C-O 3.54Å; E143-L184 WeakPolarHBondContact CA-O 3.33Å; V144-L184 HydrophobicContact CG2-CB 4.31Å; V144-L184 PolarHBondContact N-O 2.9Å; V144-L184 PolarHBondContact O-N 3.36Å; L158-L184 HydrophobicContact CB-CD1 3.96Å; L158-L184 HydrophobicContact CD1-CD1 4.04Å; L158-L184 HydrophobicContact CD1-CG 4.24Å; L184-L195 HydrophobicContact CB-CD1 4.03Å; L184-L195 HydrophobicContact CD1-CD1 3.97Å; L184-L195 HydrophobicContact CD1-CD2 3.63Å; L184-L195 HydrophobicContact CD1-CG 4.47Å; L184-T494 HydrophobicContact CB-CG2 4.22Å; L184-I497 HydrophobicContact CD2-CD1 3.67Å |
| 185 | A | 93.1 | Very high | 90 | Very high | 2 Ų | 2 | 36.1 Ų | 36.1 | 2% | 0.017 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 133.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | W487 K490 T494 | A185-W487 HydrophobicContact CB-CE3 4.21Å; A185-W487 HydrophobicContact CB-CH2 3.47Å; A185-W487 VanDerWaalsContact CB-CH2 3.47Å; A185-W487 HydrophobicContact CB-CZ2 4.03Å; A185-W487 HydrophobicContact CB-CZ3 3.56Å; A185-K490 HydrophobicContact CB-CB 4Å; A185-T494 PolarHBondContact N-OG1 3.02Å; A185-T494 WeakPolarHBondContact O-CG2 3.43Å; A185-T494 PolarHBondContact O-OG1 2.98Å |
| 186 | V | 94.1 | Very high | 90.6 | Very high | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.012 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 143.8 | 176.7 | -74 | 0 | 0 | 0 | 0 | 110.7 | F127 A142 V144 D191 I192 L195 | F127-V186 HydrophobicContact CE2-CG2 4.44Å; F127-V186 HydrophobicContact CZ-CB 4.37Å; F127-V186 HydrophobicContact CZ-CG2 3.97Å; A142-V186 HydrophobicContact CB-CG2 3.99Å; A142-V186 VanDerWaalsContact O-CG2 3.26Å; A142-V186 WeakPolarHBondContact O-CG2 3.41Å; A142-V186 PolarHBondContact O-N 2.86Å; V144-V186 HydrophobicContact CG1-CG2 3.95Å; V144-V186 HydrophobicContact CG2-CG1 3.93Å; V144-V186 HydrophobicContact CG2-CG2 4.43Å; V186-D191 HydrophobicContact CB-CB 4.17Å; V186-D191 HydrophobicContact CG1-CB 3.9Å; V186-I192 HydrophobicContact CG1-CB 4.39Å; V186-L195 HydrophobicContact CG1-CD1 3.61Å |
| 187 | T | 90.9 | Very high | 90.6 | Very high | 87 Ų | 87 | 37.7 Ų | 37.7 | 53% | 0.534 | 20% | 0.196 | S | C | . | . | trans | -111.9 | -26.2 | -173.4 | 68.4 | 0 | 0 | 0 | 0 | 113.3 | F127 D191 L491 | F127-T187 VanDerWaalsContact CE1-C 3.48Å; F127-T187 VanDerWaalsContact CE1-O 3.31Å; F127-T187 WeakPolarHBondContact CE1-O 3.42Å; T187-D191 WeakPolarHBondContact CA-OD2 3.38Å; T187-D191 WeakPolarHBondContact CB-OD2 3.49Å; T187-D191 PolarHBondContact N-OD2 3.18Å; T187-D191 PolarHBondContact OG1-OD2 3.41Å; T187-L491 HydrophobicContact CG2-CD1 3.78Å | ||
| 188 | G | 90.8 | Very high | 90.5 | Very high | 18 Ų | 18 | 37.9 Ų | 37.9 | 19% | 0.186 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -146 | 174.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | T190 D191 I192 | G188-T190 VanDerWaalsContact C-N 3.26Å; G188-T190 PolarHBondContact O-N 2.83Å; G188-D191 PolarHBondContact N-OD2 2.88Å; G188-D191 PolarHBondContact O-N 2.95Å; G188-I192 PolarHBondContact O-N 2.83Å |
| 189 | F | 93 | Very high | 90.2 | Very high | 30 Ų | 30 | 37.2 Ų | 37.2 | 13% | 0.132 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.2 | -25.4 | 179.5 | -179.8 | -139.4 | 0 | 0 | 0 | 113.3 | C123 E124 F127 I192 R193 | C123-F189 HydrophobicContact CB-CD2 3.95Å; C123-F189 HydrophobicContact CB-CE2 3.86Å; E124-F189 HydrophobicContact CB-CD1 3.97Å; E124-F189 HydrophobicContact CB-CD2 4.28Å; E124-F189 HydrophobicContact CB-CE1 3.56Å; E124-F189 HydrophobicContact CB-CE2 3.93Å; E124-F189 HydrophobicContact CB-CG 4.33Å; E124-F189 HydrophobicContact CB-CZ 3.55Å; E124-F189 HydrophobicContact CG-CD1 3.79Å; E124-F189 HydrophobicContact CG-CE1 3.52Å; E124-F189 HydrophobicContact CG-CZ 4.07Å; E124-F189 VanDerWaalsContact OE1-CE1 3.27Å; E124-F189 WeakPolarHBondContact OE1-CE1 3.41Å; F127-F189 HydrophobicContact CB-CB 4.13Å; F127-F189 HydrophobicContact CD2-CB 4.25Å; F127-F189 HydrophobicContact CG-CB 4.43Å; F189-I192 HydrophobicContact CD2-CG2 3.84Å; F189-I192 VanDerWaalsContact O-CG2 3.26Å; F189-I192 WeakPolarHBondContact O-CG2 3.42Å; F189-R193 VanDerWaalsContact CE1-NH1 3.26Å; F189-R193 VanDerWaalsContact CE1-NH2 3.25Å; F189-R193 VanDerWaalsContact CZ-CZ 3.45Å; F189-R193 VanDerWaalsContact CZ-NH2 3.32Å; F189-R193 VanDerWaalsContact O-CB 3.24Å; F189-R193 WeakPolarHBondContact O-CB 3.48Å; F189-R193 PolarHBondContact O-N 3.2Å; F189-R193 VanDerWaalsContact O-N 3.1Å |
| 190 | T | 90.9 | Very high | 90.1 | Very high | 89 Ų | 89 | 37.6 Ų | 37.6 | 55% | 0.546 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -64.5 | -52.1 | 174.7 | -50.2 | 0 | 0 | 0 | 0 | 110.8 | G188 I192 R193 E194 | G188-T190 VanDerWaalsContact C-N 3.26Å; G188-T190 PolarHBondContact O-N 2.83Å; T190-I192 PolarHBondContact O-N 3.4Å; T190-R193 WeakPolarHBondContact O-CA 3.5Å; T190-R193 WeakPolarHBondContact O-CB 3.05Å; T190-R193 PolarHBondContact O-N 3.21Å; T190-E194 PolarHBondContact O-N 3.41Å |
| 191 | D | 89.9 | Confident | 89.7 | Confident | 41 Ų | 41 | 39 Ų | 39 | 22% | 0.219 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -56.5 | -49.2 | -176.5 | -28.7 | -9 | 0 | 0 | 0 | 110.7 | V186 T187 G188 R193 E194 L195 | V186-D191 HydrophobicContact CB-CB 4.17Å; V186-D191 HydrophobicContact CG1-CB 3.9Å; T187-D191 WeakPolarHBondContact CA-OD2 3.38Å; T187-D191 WeakPolarHBondContact CB-OD2 3.49Å; T187-D191 PolarHBondContact N-OD2 3.18Å; T187-D191 PolarHBondContact OG1-OD2 3.41Å; G188-D191 PolarHBondContact N-OD2 2.88Å; G188-D191 PolarHBondContact O-N 2.95Å; D191-R193 VanDerWaalsContact C-N 3.34Å; D191-R193 PolarHBondContact O-N 3.12Å; D191-E194 PolarHBondContact O-N 3.48Å; D191-L195 WeakPolarHBondContact O-CG 3.48Å; D191-L195 PolarHBondContact O-N 2.92Å |
| 192 | I | 93.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -68.1 | -31 | 178.5 | -168.5 | 167.4 | 0 | 0 | 0 | 112.4 | C123 F127 V144 V186 G188 F189 T190 M196 F221 I223 | C123-I192 HydrophobicContact CB-CD1 4.04Å; C123-I192 HydrophobicContact CB-CG1 4.5Å; C123-I192 HydrophobicContact CB-CG2 4.09Å; C123-I192 WeakPolarHBondContact SG-CD1 3.41Å; F127-I192 HydrophobicContact CD2-CG2 4.19Å; F127-I192 HydrophobicContact CE2-CB 4.35Å; F127-I192 HydrophobicContact CE2-CD1 4.31Å; F127-I192 HydrophobicContact CE2-CG2 3.85Å; V144-I192 HydrophobicContact CG1-CD1 3.56Å; V144-I192 HydrophobicContact CG1-CG1 3.99Å; V186-I192 HydrophobicContact CG1-CB 4.39Å; G188-I192 PolarHBondContact O-N 2.83Å; F189-I192 HydrophobicContact CD2-CG2 3.84Å; F189-I192 VanDerWaalsContact O-CG2 3.26Å; F189-I192 WeakPolarHBondContact O-CG2 3.42Å; T190-I192 PolarHBondContact O-N 3.4Å; I192-M196 HydrophobicContact CG1-CE 4.49Å; I192-M196 WeakPolarHBondContact O-CB 3.4Å; I192-M196 VanDerWaalsContact O-CG 3.3Å; I192-M196 WeakPolarHBondContact O-CG 3.33Å; I192-M196 PolarHBondContact O-N 3.44Å; I192-F221 HydrophobicContact CD1-CE1 4.26Å; I192-F221 HydrophobicContact CD1-CZ 3.99Å; I192-F221 HydrophobicContact CG1-CZ 3.82Å; I192-I223 HydrophobicContact CD1-CD1 4.15Å; I192-I223 HydrophobicContact CD1-CG1 4.49Å |
| 193 | R | 90.4 | Very high | 88.4 | Confident | 90 Ų | 90 | 39.4 Ų | 39.4 | 34% | 0.34 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -68.6 | -43.7 | 174 | 179.5 | -175.7 | -91.7 | 139.3 | -11.6 | 111.3 | E116 F189 T190 D191 M196 D197 | E116-R193 IonicContact OE1-NH2 2.77Å; E116-R193 PolarHBondContact OE1-NH2 2.87Å; F189-R193 VanDerWaalsContact CE1-NH1 3.26Å; F189-R193 VanDerWaalsContact CE1-NH2 3.25Å; F189-R193 VanDerWaalsContact CZ-CZ 3.45Å; F189-R193 VanDerWaalsContact CZ-NH2 3.32Å; F189-R193 VanDerWaalsContact O-CB 3.24Å; F189-R193 WeakPolarHBondContact O-CB 3.48Å; F189-R193 PolarHBondContact O-N 3.2Å; F189-R193 VanDerWaalsContact O-N 3.1Å; T190-R193 WeakPolarHBondContact O-CA 3.5Å; T190-R193 WeakPolarHBondContact O-CB 3.05Å; T190-R193 PolarHBondContact O-N 3.21Å; D191-R193 VanDerWaalsContact C-N 3.34Å; D191-R193 PolarHBondContact O-N 3.12Å; R193-M196 HydrophobicContact CB-CE 4.36Å; R193-M196 PolarHBondContact O-N 3.16Å; R193-D197 PolarHBondContact O-N 3.28Å |
| 194 | E | 88.8 | Confident | 87.2 | Confident | 58 Ų | 58 | 39.2 Ų | 39.2 | 27% | 0.271 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -58.1 | -50.3 | 174.1 | -69.5 | 177.4 | 141.2 | 0 | 0 | 110.7 | T190 D191 M196 D197 E198 R498 | T190-E194 PolarHBondContact O-N 3.41Å; D191-E194 PolarHBondContact O-N 3.48Å; E194-M196 VanDerWaalsContact C-N 3.33Å; E194-M196 PolarHBondContact O-N 2.98Å; E194-D197 PolarHBondContact O-N 2.93Å; E194-E198 WeakPolarHBondContact O-CG 3.41Å; E194-E198 PolarHBondContact O-N 3.32Å; E194-R498 IonicContact OE1-CZ 2.9Å; E194-R498 IonicContact OE1-NH1 3.84Å; E194-R498 IonicContact OE1-NH2 3.13Å; E194-R498 PolarHBondContact OE1-NH2 3.19Å; E194-R498 IonicContact OE2-CZ 2.69Å; E194-R498 IonicContact OE2-NH1 3.76Å; E194-R498 PolarHBondContact OE2-NH1 3.4Å; E194-R498 IonicContact OE2-NH2 2.73Å; E194-R498 PolarHBondContact OE2-NH2 3.38Å |
| 195 | L | 90.9 | Very high | 85.4 | Confident | 11 Ų | 11 | 43.2 Ų | 43.2 | 6% | 0.058 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.2 | -36.6 | 177.8 | -66.4 | 179.1 | 0 | 0 | 0 | 113.3 | V144 L158 L184 V186 D191 E198 G199 | V144-L195 HydrophobicContact CG2-CD1 3.48Å; V144-L195 VanDerWaalsContact CG2-CD1 3.48Å; L158-L195 HydrophobicContact CD2-CB 4.11Å; L158-L195 WeakPolarHBondContact CD2-O 3.26Å; L184-L195 HydrophobicContact CB-CD1 4.03Å; L184-L195 HydrophobicContact CD1-CD1 3.97Å; L184-L195 HydrophobicContact CD1-CD2 3.63Å; L184-L195 HydrophobicContact CD1-CG 4.47Å; V186-L195 HydrophobicContact CG1-CD1 3.61Å; D191-L195 WeakPolarHBondContact O-CG 3.48Å; D191-L195 PolarHBondContact O-N 2.92Å; L195-E198 WeakPolarHBondContact CD2-OE2 3.38Å; L195-G199 PolarHBondContact O-N 3.44Å |
| 196 | M | 90.3 | Very high | 83.5 | Confident | 5 Ų | 5 | 44 Ų | 44 | 3% | 0.025 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.6 | -49.4 | 172.9 | -79.4 | -173.1 | -68.4 | 0 | 0 | 111.9 | M108 I119 P120 C123 I192 R193 E194 E198 G199 N200 F221 | M108-M196 HydrophobicContact CE-SD 4.46Å; M108-M196 HydrophobicContact SD-SD 4.39Å; I119-M196 HydrophobicContact CB-SD 4.47Å; I119-M196 HydrophobicContact CG2-SD 3.45Å; I119-M196 WeakPolarHBondContact CG2-SD 3.35Å; P120-M196 HydrophobicContact CB-CE 4.43Å; C123-M196 HydrophobicContact CB-CE 4.27Å; I192-M196 HydrophobicContact CG1-CE 4.49Å; I192-M196 WeakPolarHBondContact O-CB 3.4Å; I192-M196 VanDerWaalsContact O-CG 3.3Å; I192-M196 WeakPolarHBondContact O-CG 3.33Å; I192-M196 PolarHBondContact O-N 3.44Å; R193-M196 HydrophobicContact CB-CE 4.36Å; R193-M196 PolarHBondContact O-N 3.16Å; E194-M196 VanDerWaalsContact C-N 3.33Å; E194-M196 PolarHBondContact O-N 2.98Å; M196-E198 VanDerWaalsContact C-N 3.34Å; M196-E198 PolarHBondContact O-N 2.92Å; M196-G199 PolarHBondContact O-N 2.67Å; M196-N200 WeakPolarHBondContact O-CB 3.34Å; M196-N200 PolarHBondContact O-N 2.95Å; M196-N200 PolarHBondContact O-ND2 3.44Å; M196-F221 HydrophobicContact CG-CD2 4.27Å; M196-F221 HydrophobicContact CG-CE2 3.56Å; M196-F221 HydrophobicContact CG-CZ 3.75Å; M196-F221 HydrophobicContact SD-CZ 4.25Å |
| 197 | D | 86.6 | Confident | 81.2 | Confident | 45 Ų | 45 | 44.6 Ų | 44.6 | 24% | 0.241 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65 | -36.4 | 179.8 | -89.1 | -32.3 | 0 | 0 | 0 | 112 | Q111 R193 E194 K201 | Q111-D197 PolarHBondContact NE2-OD1 3.11Å; R193-D197 PolarHBondContact O-N 3.28Å; E194-D197 PolarHBondContact O-N 2.93Å; D197-K201 WeakPolarHBondContact O-CB 3.19Å; D197-K201 VanDerWaalsContact O-CD 3.29Å; D197-K201 WeakPolarHBondContact O-CD 3.34Å; D197-K201 WeakPolarHBondContact O-CG 3.46Å; D197-K201 PolarHBondContact O-N 2.69Å |
| 198 | E | 84.6 | Confident | 78.8 | Confident | 48 Ų | 48 | 45.8 Ų | 45.8 | 22% | 0.224 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.6 | -48.8 | 171.6 | -72.9 | 176.9 | 132.6 | 0 | 0 | 112.9 | E194 L195 M196 N200 K201 A202 R501 | E194-E198 WeakPolarHBondContact O-CG 3.41Å; E194-E198 PolarHBondContact O-N 3.32Å; L195-E198 WeakPolarHBondContact CD2-OE2 3.38Å; M196-E198 VanDerWaalsContact C-N 3.34Å; M196-E198 PolarHBondContact O-N 2.92Å; E198-N200 VanDerWaalsContact C-N 3.29Å; E198-N200 PolarHBondContact O-N 3.19Å; E198-K201 WeakPolarHBondContact O-CB 3.5Å; E198-K201 PolarHBondContact O-N 3.49Å; E198-K201 VanDerWaalsContact O-N 3.14Å; E198-A202 PolarHBondContact O-N 2.92Å; E198-R501 IonicContact OE1-CZ 3.01Å; E198-R501 IonicContact OE1-NE 2.78Å; E198-R501 IonicContact OE1-NH1 2.88Å; E198-R501 PolarHBondContact OE1-NH1 3.5Å; E198-R501 IonicContact OE1-NH2 2.81Å; E198-R501 IonicContact OE2-CZ 3.83Å; E198-R501 IonicContact OE2-NH1 2.62Å; E198-R501 PolarHBondContact OE2-NH1 3.35Å; E198-R501 IonicContact OE2-NH2 3.7Å; E198-R501 PolarHBondContact OE2-NH2 2.99Å |
| 199 | G | 86.1 | Confident | 76.4 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.4 | -35.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L195 M196 A202 R203 | L195-G199 PolarHBondContact O-N 3.44Å; M196-G199 PolarHBondContact O-N 2.67Å; G199-A202 PolarHBondContact O-N 2.9Å; G199-R203 WeakPolarHBondContact O-CB 3.37Å; G199-R203 PolarHBondContact O-N 2.7Å |
| 200 | N | 83.8 | Confident | 74 | Confident | 37 Ų | 37 | 55.1 Ų | 55.1 | 20% | 0.198 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.3 | -42.5 | 171.1 | -74.8 | -36.6 | 0 | 0 | 0 | 112 | M108 Y146 M196 E198 T204 | M108-N200 PolarHBondContact SD-ND2 3.27Å; Y146-N200 PolarHBondContact OH-OD1 2.73Å; M196-N200 WeakPolarHBondContact O-CB 3.34Å; M196-N200 PolarHBondContact O-N 2.95Å; M196-N200 PolarHBondContact O-ND2 3.44Å; E198-N200 VanDerWaalsContact C-N 3.29Å; E198-N200 PolarHBondContact O-N 3.19Å; N200-T204 WeakPolarHBondContact O-CB 3.29Å; N200-T204 PolarHBondContact O-N 3.02Å; N200-T204 VanDerWaalsContact O-N 3.1Å; N200-T204 PolarHBondContact O-OG1 2.66Å |
| 201 | K | 80.8 | Confident | 71.7 | Confident | 127 Ų | 127 | 54 Ų | 54 | 55% | 0.552 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -62.2 | -47.4 | 173.4 | -69.9 | 157.3 | -165.2 | 164.2 | 0 | 110.7 | D197 E198 R203 T204 V205 | D197-K201 WeakPolarHBondContact O-CB 3.19Å; D197-K201 VanDerWaalsContact O-CD 3.29Å; D197-K201 WeakPolarHBondContact O-CD 3.34Å; D197-K201 WeakPolarHBondContact O-CG 3.46Å; D197-K201 PolarHBondContact O-N 2.69Å; E198-K201 WeakPolarHBondContact O-CB 3.5Å; E198-K201 PolarHBondContact O-N 3.49Å; E198-K201 VanDerWaalsContact O-N 3.14Å; K201-R203 PolarHBondContact O-N 3.48Å; K201-T204 WeakPolarHBondContact O-CB 3.34Å; K201-T204 PolarHBondContact O-N 3.3Å; K201-V205 WeakPolarHBondContact O-CG2 3.37Å; K201-V205 PolarHBondContact O-N 2.8Å |
| 202 | A | 78.1 | Confident | 69.8 | Low | 32 Ų | 32 | 58 Ų | 58 | 26% | 0.264 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.3 | -45.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L157 E198 G199 T204 V205 A206 | L157-A202 HydrophobicContact CD2-CB 4.17Å; E198-A202 PolarHBondContact O-N 2.92Å; G199-A202 PolarHBondContact O-N 2.9Å; A202-T204 PolarHBondContact O-N 2.88Å; A202-V205 PolarHBondContact O-N 2.97Å; A202-A206 WeakPolarHBondContact O-CB 3.46Å; A202-A206 PolarHBondContact O-N 2.91Å; A202-A206 VanDerWaalsContact O-N 3.08Å |
| 203 | R | 77.9 | Confident | 67.8 | Low | 15 Ų | 15 | 58.1 Ų | 58.1 | 6% | 0.057 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.6 | -33.9 | 173.7 | -164.2 | -177.3 | -176.5 | -162.4 | 1.5 | 112.3 | E148 L157 G199 K201 S214 S217 D248 | E148-R203 WeakPolarHBondContact OE1-CG 2.94Å; E148-R203 IonicContact OE1-NE 3.39Å; L157-R203 HydrophobicContact CD1-CB 4.45Å; L157-R203 HydrophobicContact CD2-CB 4.28Å; G199-R203 WeakPolarHBondContact O-CB 3.37Å; G199-R203 PolarHBondContact O-N 2.7Å; K201-R203 PolarHBondContact O-N 3.48Å; R203-S214 PolarHBondContact NH2-O 2.88Å; R203-S214 VanDerWaalsContact NH2-O 3.16Å; R203-S217 PolarHBondContact NE-OG 3.37Å; R203-S217 PolarHBondContact NH2-O 3.04Å; R203-S217 PolarHBondContact NH2-OG 3.21Å; R203-S217 VanDerWaalsContact NH2-OG 3.14Å; R203-D248 IonicContact CZ-OD2 2.68Å; R203-D248 IonicContact NH1-OD2 2.64Å; R203-D248 PolarHBondContact NH1-OD2 2.93Å; R203-D248 IonicContact NH2-OD2 2.81Å |
| 204 | T | 63.7 | Low | 66.5 | Low | 84 Ų | 84 | 56.4 Ų | 56.4 | 52% | 0.515 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -79.2 | -42.9 | -179.7 | -55 | 0 | 0 | 0 | 0 | 112.4 | N200 K201 A202 A206 A207 T208 | N200-T204 WeakPolarHBondContact O-CB 3.29Å; N200-T204 PolarHBondContact O-N 3.02Å; N200-T204 VanDerWaalsContact O-N 3.1Å; N200-T204 PolarHBondContact O-OG1 2.66Å; K201-T204 WeakPolarHBondContact O-CB 3.34Å; K201-T204 PolarHBondContact O-N 3.3Å; A202-T204 PolarHBondContact O-N 2.88Å; T204-A206 VanDerWaalsContact C-N 3.27Å; T204-A206 PolarHBondContact O-N 3.15Å; T204-A207 WeakPolarHBondContact O-CB 3.2Å; T204-A207 PolarHBondContact O-N 2.8Å; T204-T208 PolarHBondContact O-N 2.9Å; T204-T208 VanDerWaalsContact O-N 3.16Å |
| 205 | V | 55.8 | Low | 65.6 | Low | 86 Ų | 86 | 54.5 Ų | 54.5 | 52% | 0.521 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.9 | -32.3 | 176.4 | 173.9 | 0 | 0 | 0 | 0 | 111.5 | K201 A202 A207 T208 N209 | K201-V205 WeakPolarHBondContact O-CG2 3.37Å; K201-V205 PolarHBondContact O-N 2.8Å; A202-V205 PolarHBondContact O-N 2.97Å; V205-A207 VanDerWaalsContact C-N 3.28Å; V205-A207 PolarHBondContact O-N 3.38Å; V205-T208 WeakPolarHBondContact CA-OG1 3.37Å; V205-T208 PolarHBondContact O-N 2.87Å; V205-T208 PolarHBondContact O-OG1 3.15Å; V205-N209 PolarHBondContact O-N 2.81Å |
| 206 | A | 51.7 | Low | 64.8 | Low | 19 Ų | 19 | 57.5 Ų | 57.5 | 16% | 0.157 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.6 | -36.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | A202 T204 M210 | A202-A206 WeakPolarHBondContact O-CB 3.46Å; A202-A206 PolarHBondContact O-N 2.91Å; A202-A206 VanDerWaalsContact O-N 3.08Å; T204-A206 VanDerWaalsContact C-N 3.27Å; T204-A206 PolarHBondContact O-N 3.15Å; A206-M210 PolarHBondContact O-N 2.85Å |
| 207 | A | 46.5 | Very low | 64.6 | Low | 15 Ų | 15 | 57.2 Ų | 57.2 | 12% | 0.124 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -71 | -44.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | T204 V205 N209 M210 N211 | T204-A207 WeakPolarHBondContact O-CB 3.2Å; T204-A207 PolarHBondContact O-N 2.8Å; V205-A207 VanDerWaalsContact C-N 3.28Å; V205-A207 PolarHBondContact O-N 3.38Å; A207-N209 PolarHBondContact O-N 2.86Å; A207-N209 VanDerWaalsContact O-N 3.12Å; A207-M210 CarbonylContact O-C 3.47Å; A207-M210 PolarHBondContact O-N 3.03Å; A207-N211 CarbonylContact C-O 3.54Å; A207-N211 VanDerWaalsContact C-O 3.25Å; A207-N211 WeakPolarHBondContact CA-O 3.37Å; A207-N211 VanDerWaalsContact CB-O 3.32Å; A207-N211 WeakPolarHBondContact CB-O 3.21Å; A207-N211 CarbonylContact O-C 3.54Å; A207-N211 PolarHBondContact O-N 2.67Å; A207-N211 VanDerWaalsContact O-N 3.09Å |
| 208 | T | 40.6 | Very low | 64.8 | Low | 111 Ų | 111 | 55.2 Ų | 55.2 | 68% | 0.681 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -60 | -27.4 | 178.3 | 48 | 0 | 0 | 0 | 0 | 113.1 | T204 V205 | T204-T208 PolarHBondContact O-N 2.9Å; T204-T208 VanDerWaalsContact O-N 3.16Å; V205-T208 WeakPolarHBondContact CA-OG1 3.37Å; V205-T208 PolarHBondContact O-N 2.87Å; V205-T208 PolarHBondContact O-OG1 3.15Å |
| 209 | N | 40.2 | Very low | 65.2 | Low | 117 Ų | 117 | 53 Ų | 53 | 63% | 0.626 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -83 | -21.8 | 174 | -75.6 | 0 | 0 | 0 | 0 | 114.4 | V205 A207 | V205-N209 PolarHBondContact O-N 2.81Å; A207-N209 PolarHBondContact O-N 2.86Å; A207-N209 VanDerWaalsContact O-N 3.12Å |
| 210 | M | 42 | Very low | 65.7 | Low | 128 Ų | 128 | 53.3 Ų | 53.3 | 63% | 0.631 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -151.2 | 59.6 | -176.9 | -69.4 | -157.9 | 79.5 | 0 | 0 | 115.8 | A206 A207 T213 | A206-M210 PolarHBondContact O-N 2.85Å; A207-M210 CarbonylContact O-C 3.47Å; A207-M210 PolarHBondContact O-N 3.03Å; M210-T213 PolarHBondContact O-OG1 3.05Å |
| 211 | N | 42.6 | Very low | 66.3 | Low | 64 Ų | 64 | 51.6 Ų | 51.6 | 34% | 0.342 | 28% | 0.282 | S | S | . | . | S | Bend | trans | 70.1 | -175 | 176.7 | -38 | -95 | 0 | 0 | 0 | 114.4 | A207 T213 R264 | A207-N211 CarbonylContact C-O 3.54Å; A207-N211 VanDerWaalsContact C-O 3.25Å; A207-N211 WeakPolarHBondContact CA-O 3.37Å; A207-N211 VanDerWaalsContact CB-O 3.32Å; A207-N211 WeakPolarHBondContact CB-O 3.21Å; A207-N211 CarbonylContact O-C 3.54Å; A207-N211 PolarHBondContact O-N 2.67Å; A207-N211 VanDerWaalsContact O-N 3.09Å; N211-T213 PolarHBondContact O-N 3.11Å; N211-T213 PolarHBondContact O-OG1 3.19Å; N211-R264 PolarHBondContact OD1-NH2 3.15Å |
| 212 | E | 50.6 | Low | 67 | Low | 125 Ų | 125 | 46.1 Ų | 46.1 | 58% | 0.584 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -68.9 | 54.9 | -174.1 | -161.5 | 179.5 | -177.1 | 0 | 0 | 114.4 | S214 S215 | E212-S214 VanDerWaalsContact C-N 3.33Å; E212-S214 PolarHBondContact O-N 2.83Å; E212-S215 PolarHBondContact O-N 2.75Å; E212-S215 PolarHBondContact O-OG 2.66Å |
| 213 | T | 51.8 | Low | 67.9 | Low | 4 Ų | 4 | 44.6 Ų | 44.6 | 3% | 0.025 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -61.3 | -31.2 | -168 | -54.9 | 0 | 0 | 0 | 0 | 114.4 | Y150 M210 N211 S215 R216 S217 | Y150-T213 HydrophobicContact CD1-CG2 4.44Å; Y150-T213 HydrophobicContact CD2-CG2 4.07Å; Y150-T213 HydrophobicContact CE1-CG2 4.39Å; Y150-T213 HydrophobicContact CE2-CG2 4.03Å; Y150-T213 HydrophobicContact CG-CG2 4.27Å; M210-T213 PolarHBondContact O-OG1 3.05Å; N211-T213 PolarHBondContact O-N 3.11Å; N211-T213 PolarHBondContact O-OG1 3.19Å; T213-S215 PolarHBondContact O-N 3.48Å; T213-S215 VanDerWaalsContact O-N 3.15Å; T213-R216 CarbonylContact O-C 3.53Å; T213-R216 WeakPolarHBondContact O-CA 3.41Å; T213-R216 WeakPolarHBondContact O-CB 3.48Å; T213-R216 PolarHBondContact O-N 2.86Å; T213-S217 PolarHBondContact O-N 2.79Å; T213-S217 PolarHBondContact O-OG 3.03Å |
| 214 | S | 63.8 | Low | 68.8 | Low | 54 Ų | 54 | 45.8 Ų | 45.8 | 38% | 0.378 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -61.7 | -23.6 | 178.8 | 57.3 | 0 | 0 | 0 | 0 | 113.6 | R203 E212 R216 | R203-S214 PolarHBondContact NH2-O 2.88Å; R203-S214 VanDerWaalsContact NH2-O 3.16Å; E212-S214 VanDerWaalsContact C-N 3.33Å; E212-S214 PolarHBondContact O-N 2.83Å; S214-R216 VanDerWaalsContact C-N 3.34Å |
| 215 | S | 68.4 | Low | 70.3 | Confident | 18 Ų | 18 | 41.9 Ų | 41.9 | 13% | 0.126 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -79 | -16.7 | 171.4 | 68.5 | 0 | 0 | 0 | 0 | 113.8 | E212 T213 G251 | E212-S215 PolarHBondContact O-N 2.75Å; E212-S215 PolarHBondContact O-OG 2.66Å; T213-S215 PolarHBondContact O-N 3.48Å; T213-S215 VanDerWaalsContact O-N 3.15Å; S215-G251 PolarHBondContact O-N 3.19Å |
| 216 | R | 74.6 | Confident | 72.1 | Confident | 73 Ų | 73 | 38.6 Ų | 38.6 | 28% | 0.275 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.6 | -14.6 | -165.8 | -62.6 | -168.9 | -173.2 | -171.6 | -0 | 114.1 | Y150 T213 S214 E267 I271 | Y150-R216 HydrophobicContact CD2-CB 4.41Å; Y150-R216 HydrophobicContact CE2-CB 3.97Å; T213-R216 CarbonylContact O-C 3.53Å; T213-R216 WeakPolarHBondContact O-CA 3.41Å; T213-R216 WeakPolarHBondContact O-CB 3.48Å; T213-R216 PolarHBondContact O-N 2.86Å; S214-R216 VanDerWaalsContact C-N 3.34Å; R216-E267 WeakPolarHBondContact CD-OE1 3.23Å; R216-E267 IonicContact CZ-OE1 3.53Å; R216-E267 IonicContact NE-OE1 2.68Å; R216-E267 IonicContact NH1-OE1 3.53Å; R216-E267 PolarHBondContact NH1-OE1 3.01Å; R216-E267 IonicContact NH1-OE2 3.67Å; R216-I271 HydrophobicContact CB-CD1 3.62Å; R216-I271 HydrophobicContact CB-CG1 4.35Å; R216-I271 HydrophobicContact CG-CD1 3.98Å; R216-I271 WeakPolarHBondContact O-CG1 3.39Å; R216-I271 WeakPolarHBondContact O-CG2 2.87Å |
| 217 | S | 85.9 | Confident | 74.1 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -101.2 | 154.2 | 175.4 | 66.2 | 0 | 0 | 0 | 0 | 112.4 | E148 I149 R203 T213 A250 | E148-S217 VanDerWaalsContact CG-CB 3.44Å; E148-S217 WeakPolarHBondContact OE1-CB 3.41Å; E148-S217 PolarHBondContact OE1-OG 3.42Å; I149-S217 WeakPolarHBondContact O-CA 3.35Å; R203-S217 PolarHBondContact NE-OG 3.37Å; R203-S217 PolarHBondContact NH2-O 3.04Å; R203-S217 PolarHBondContact NH2-OG 3.21Å; R203-S217 VanDerWaalsContact NH2-OG 3.14Å; T213-S217 PolarHBondContact O-N 2.79Å; T213-S217 PolarHBondContact O-OG 3.03Å; S217-A250 WeakPolarHBondContact O-CA 3.41Å; S217-A250 PolarHBondContact O-N 2.93Å |
| 218 | H | 91.3 | Very high | 76.1 | Confident | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.009 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 128.5 | 164.8 | -39.4 | -78.7 | 0 | 0 | 0 | 108 | I149 D248 L249 A250 S274 L306 | I149-H218 HydrophobicContact CB-CB 4.29Å; I149-H218 PolarHBondContact N-O 2.64Å; I149-H218 PolarHBondContact O-CD2 3.19Å; I149-H218 PolarHBondContact O-N 2.68Å; H218-D248 CarbonylContact C-O 3.55Å; H218-D248 WeakPolarHBondContact CA-O 3.42Å; H218-L249 HydrophobicContact CB-CD2 4.18Å; H218-A250 PolarHBondContact ND1-N 3.35Å; H218-S274 WeakPolarHBondContact NE2-CB 3.32Å; H218-S274 PolarHBondContact NE2-OG 3.38Å; H218-L306 HydrophobicContact CB-CD1 4.15Å |
| 219 | A | 93.3 | Very high | 78.4 | Confident | 2 Ų | 2 | 42.5 Ų | 42.5 | 2% | 0.017 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 133.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110 | Y146 M147 V247 D248 | Y146-A219 HydrophobicContact CE2-CB 3.91Å; M147-A219 WeakPolarHBondContact O-CA 3.44Å; A219-V247 WeakPolarHBondContact O-CA 3.45Å; A219-D248 PolarHBondContact N-O 2.99Å; A219-D248 PolarHBondContact O-N 2.89Å |
| 220 | V | 95.8 | Very high | 80.5 | Confident | 7 Ų | 7 | 42.7 Ų | 42.7 | 4% | 0.042 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 106.6 | -179.4 | -179.1 | 0 | 0 | 0 | 0 | 108.4 | M147 I149 V247 | M147-V220 HydrophobicContact CE-CB 3.75Å; M147-V220 HydrophobicContact CE-CG1 3.62Å; M147-V220 HydrophobicContact CE-CG2 4.28Å; M147-V220 HydrophobicContact CG-CB 3.9Å; M147-V220 PolarHBondContact N-O 2.84Å; M147-V220 PolarHBondContact O-N 3.26Å; I149-V220 HydrophobicContact CD1-CG2 4.09Å; V220-V247 HydrophobicContact CG1-CG2 4.23Å; V220-V247 HydrophobicContact CG2-CG1 4.1Å; V220-V247 HydrophobicContact CG2-CG2 4.21Å |
| 221 | F | 96.9 | Very high | 82.1 | Confident | 1 Ų | 1 | 38.6 Ų | 38.6 | 0% | 0.004 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 124 | 170.9 | -173.1 | -95.1 | 0 | 0 | 0 | 108.2 | I119 V144 Y146 I192 M196 I223 L246 | I119-F221 HydrophobicContact CG2-CD1 3.83Å; I119-F221 HydrophobicContact CG2-CE1 4.04Å; I119-F221 HydrophobicContact CG2-CG 4.32Å; V144-F221 HydrophobicContact CB-CZ 4.31Å; V144-F221 HydrophobicContact CG1-CZ 4.13Å; Y146-F221 AromaticContact CD1-CD2 3.97Å; Y146-F221 HydrophobicContact CD1-CD2 3.97Å; Y146-F221 HydrophobicContact CD2-CB 3.77Å; Y146-F221 AromaticContact CD2-CD2 3.85Å; Y146-F221 HydrophobicContact CD2-CD2 3.85Å; Y146-F221 HydrophobicContact CD2-CG 4.33Å; Y146-F221 HydrophobicContact CE1-CD2 4.49Å; Y146-F221 HydrophobicContact CE2-CB 3.92Å; Y146-F221 HydrophobicContact CE2-CD2 4.34Å; Y146-F221 HydrophobicContact CG-CB 4.45Å; Y146-F221 AromaticContact CG-CD2 3.65Å; Y146-F221 HydrophobicContact CG-CD2 3.65Å; Y146-F221 HydrophobicContact CG-CE2 4.48Å; I192-F221 HydrophobicContact CD1-CE1 4.26Å; I192-F221 HydrophobicContact CD1-CZ 3.99Å; I192-F221 HydrophobicContact CG1-CZ 3.82Å; M196-F221 HydrophobicContact CG-CD2 4.27Å; M196-F221 HydrophobicContact CG-CE2 3.56Å; M196-F221 HydrophobicContact CG-CZ 3.75Å; M196-F221 HydrophobicContact SD-CZ 4.25Å; F221-I223 HydrophobicContact CD1-CG1 4.21Å; F221-I223 HydrophobicContact CE1-CD1 4.09Å; F221-I223 HydrophobicContact CE1-CG1 3.68Å; F221-L246 HydrophobicContact CB-CB 4.48Å; F221-L246 HydrophobicContact CD1-CD1 4.38Å; F221-L246 PolarHBondContact N-O 3.09Å; F221-L246 PolarHBondContact O-N 2.9Å |
| 222 | T | 96.6 | Very high | 83.5 | Confident | 11 Ų | 11 | 42.9 Ų | 42.9 | 7% | 0.067 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 125.1 | -177.6 | -48.5 | 0 | 0 | 0 | 0 | 110.4 | V144 S145 K243 I244 | V144-T222 WeakPolarHBondContact CA-O 3.44Å; S145-T222 PolarHBondContact N-O 2.69Å; S145-T222 PolarHBondContact O-N 3.02Å; T222-K243 HydrophobicContact CG2-CG 3.8Å; T222-I244 VanDerWaalsContact CA-O 3.31Å; T222-I244 WeakPolarHBondContact CA-O 3.43Å |
| 223 | I | 97.1 | Very high | 84.2 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 127.4 | 168.2 | -44.1 | 176.8 | 0 | 0 | 0 | 107.7 | L122 L126 A142 E143 V144 I192 F221 I244 | L122-I223 HydrophobicContact CD2-CD1 3.87Å; L126-I223 HydrophobicContact CD2-CD1 4.13Å; L126-I223 HydrophobicContact CD2-CG2 4.19Å; A142-I223 HydrophobicContact CB-CG2 4.47Å; E143-I223 CarbonylContact O-C 3.32Å; E143-I223 WeakPolarHBondContact O-CA 3.38Å; V144-I223 HydrophobicContact CG1-CG1 4.23Å; V144-I223 HydrophobicContact CG1-CG2 4.26Å; I192-I223 HydrophobicContact CD1-CD1 4.15Å; I192-I223 HydrophobicContact CD1-CG1 4.49Å; F221-I223 HydrophobicContact CD1-CG1 4.21Å; F221-I223 HydrophobicContact CE1-CD1 4.09Å; F221-I223 HydrophobicContact CE1-CG1 3.68Å; I223-I244 HydrophobicContact CB-CB 4.22Å; I223-I244 PolarHBondContact N-O 3.19Å; I223-I244 PolarHBondContact O-N 2.97Å |
| 224 | V | 94.9 | Very high | 84.9 | Confident | 41 Ų | 41 | 43.1 Ų | 43.1 | 25% | 0.248 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 109.5 | 163 | -178.9 | 0 | 0 | 0 | 0 | 106.6 | A142 E143 V241 | A142-V224 WeakPolarHBondContact CA-O 3.32Å; E143-V224 HydrophobicContact CB-CB 4.34Å; E143-V224 PolarHBondContact N-O 3.05Å; E143-V224 PolarHBondContact O-N 2.99Å; V224-V241 HydrophobicContact CG1-CG1 3.82Å |
| 225 | F | 96.1 | Very high | 85.2 | Confident | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.009 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 118.1 | -178.7 | 174.1 | -124 | 0 | 0 | 0 | 109.8 | F86 L126 T130 Y140 Q227 S242 | F86-F225 AromaticContact CD1-CE1 3.77Å; F86-F225 HydrophobicContact CD1-CE1 3.77Å; F86-F225 AromaticContact CD1-CZ 3.98Å; F86-F225 HydrophobicContact CD1-CZ 3.98Å; F86-F225 HydrophobicContact CD2-CE1 4.15Å; F86-F225 AromaticContact CE1-CE1 3.77Å; F86-F225 HydrophobicContact CE1-CE1 3.77Å; F86-F225 AromaticContact CE1-CZ 3.52Å; F86-F225 HydrophobicContact CE1-CZ 3.52Å; F86-F225 HydrophobicContact CE2-CE1 4.14Å; F86-F225 HydrophobicContact CE2-CZ 4.32Å; F86-F225 AromaticContact CG-CE1 3.98Å; F86-F225 HydrophobicContact CG-CE1 3.98Å; F86-F225 AromaticContact CZ-CE1 3.95Å; F86-F225 HydrophobicContact CZ-CE1 3.95Å; F86-F225 AromaticContact CZ-CZ 3.7Å; F86-F225 HydrophobicContact CZ-CZ 3.7Å; L126-F225 HydrophobicContact CD1-CD1 4.17Å; L126-F225 HydrophobicContact CD1-CD2 3.89Å; L126-F225 HydrophobicContact CD1-CE1 4.1Å; L126-F225 HydrophobicContact CD1-CE2 3.81Å; L126-F225 HydrophobicContact CD1-CG 4.06Å; L126-F225 HydrophobicContact CD1-CZ 3.91Å; T130-F225 HydrophobicContact CG2-CE2 3.78Å; T130-F225 HydrophobicContact CG2-CZ 3.94Å; Y140-F225 AromaticContact CD1-CE2 3.63Å; Y140-F225 HydrophobicContact CD1-CE2 3.63Å; Y140-F225 AromaticContact CD1-CZ 3.45Å; Y140-F225 HydrophobicContact CD1-CZ 3.45Å; Y140-F225 VanDerWaalsContact CD1-CZ 3.45Å; Y140-F225 HydrophobicContact CE1-CE2 4.48Å; Y140-F225 AromaticContact CE1-CZ 3.87Å; Y140-F225 HydrophobicContact CE1-CZ 3.87Å; Y140-F225 HydrophobicContact CG-CE2 4.25Å; Y140-F225 HydrophobicContact CG-CZ 4.43Å; F225-Q227 HydrophobicContact CD1-CG 4.42Å; F225-Q227 HydrophobicContact CE1-CG 3.75Å; F225-Q227 HydrophobicContact CE2-CG 4.49Å; F225-Q227 HydrophobicContact CZ-CG 3.8Å; F225-S242 WeakPolarHBondContact CD1-OG 3.35Å; F225-S242 PolarHBondContact N-O 3.1Å; F225-S242 PolarHBondContact O-N 2.62Å; F225-S242 PolarHBondContact O-OG 3.2Å |
| 226 | T | 93.5 | Very high | 85.4 | Confident | 16 Ų | 16 | 48.7 Ų | 48.7 | 10% | 0.098 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 131.6 | -176.1 | -65 | 0 | 0 | 0 | 0 | 110.1 | Y140 S141 K240 V241 | Y140-T226 WeakPolarHBondContact CA-O 3.39Å; S141-T226 PolarHBondContact N-O 3.16Å; S141-T226 PolarHBondContact O-N 3.4Å; S141-T226 WeakPolarHBondContact OG-CB 3.31Å; T226-K240 WeakPolarHBondContact CA-O 3.41Å; T226-V241 HydrophobicContact CG2-CG2 4.21Å |
| 227 | Q | 92.9 | Very high | 85.5 | Confident | 19 Ų | 19 | 48.1 Ų | 48.1 | 9% | 0.089 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 112.5 | 176.7 | -65.1 | 174.8 | 82.5 | 0 | 0 | 107.8 | F86 L138 Y140 F225 K240 | F86-Q227 PolarHBondContact O-NE2 3.34Å; F86-Q227 PolarHBondContact O-OE1 2.81Å; L138-Q227 HydrophobicContact CD1-CB 4.31Å; Y140-Q227 HydrophobicContact CD1-CG 3.83Å; Y140-Q227 HydrophobicContact CE1-CG 3.9Å; F225-Q227 HydrophobicContact CD1-CG 4.42Å; F225-Q227 HydrophobicContact CE1-CG 3.75Å; F225-Q227 HydrophobicContact CE2-CG 4.49Å; F225-Q227 HydrophobicContact CZ-CG 3.8Å; Q227-K240 HydrophobicContact CB-CB 4.18Å; Q227-K240 HydrophobicContact CB-CG 4.46Å; Q227-K240 PolarHBondContact N-O 2.91Å; Q227-K240 PolarHBondContact O-N 3.2Å |
| 228 | R | 89.8 | Confident | 85.3 | Confident | 106 Ų | 106 | 48.9 Ų | 48.9 | 40% | 0.4 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 107.7 | 179.1 | 177.9 | -175.2 | -68.7 | 177 | -0.1 | 108.7 | T139 D237 T238 E239 | T139-R228 PolarHBondContact N-O 3.42Å; T139-R228 PolarHBondContact O-N 3.2Å; T139-R228 WeakPolarHBondContact OG1-CB 3.39Å; T139-R228 PolarHBondContact OG1-O 3.28Å; R228-D237 HydrophobicContact CG-CB 3.77Å; R228-T238 CarbonylContact C-O 3.16Å; R228-T238 WeakPolarHBondContact CA-O 3.46Å; R228-E239 HydrophobicContact CB-CG 4.33Å; R228-E239 HydrophobicContact CG-CG 4.25Å; R228-E239 IonicContact CZ-OE1 3.67Å; R228-E239 IonicContact NE-OE1 3.16Å; R228-E239 PolarHBondContact NE-OE1 3.08Å; R228-E239 IonicContact NH2-OE1 2.68Å; R228-E239 PolarHBondContact NH2-OE1 3.35Å |
| 229 | R | 87.9 | Confident | 85 | Confident | 102 Ų | 102 | 51.9 Ų | 51.9 | 39% | 0.385 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 118.9 | 174.9 | 175 | 175.5 | -72.9 | -78.3 | 0.1 | 110.3 | D135 D137 L138 T238 | D135-R229 IonicContact OD1-NH1 2.74Å; D135-R229 IonicContact OD2-CZ 3.28Å; D135-R229 IonicContact OD2-NH1 3.7Å; D135-R229 PolarHBondContact OD2-NH1 2.68Å; D135-R229 IonicContact OD2-NH2 2.7Å; D135-R229 PolarHBondContact OD2-NH2 3.07Å; D137-R229 CarbonylContact O-C 3.59Å; D137-R229 VanDerWaalsContact O-CA 3.3Å; D137-R229 WeakPolarHBondContact O-CA 3.47Å; L138-R229 HydrophobicContact CD1-CB 4.18Å; R229-T238 PolarHBondContact N-O 3.45Å; R229-T238 PolarHBondContact O-N 2.85Å; R229-T238 PolarHBondContact O-OG1 2.89Å |
| 230 | R | 84.3 | Confident | 84.9 | Confident | 121 Ų | 121 | 53.7 Ų | 53.7 | 46% | 0.457 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 127 | 166.1 | -173.7 | 156.4 | -66.3 | 139.9 | 8.6 | 110.2 | D137 D237 | D137-R230 HydrophobicContact CB-CB 4.16Å; D137-R230 PolarHBondContact O-N 3.09Å; R230-D237 WeakPolarHBondContact CA-OD1 3.42Å; R230-D237 WeakPolarHBondContact CB-OD1 3.29Å; R230-D237 WeakPolarHBondContact CG-OD1 3.33Å; R230-D237 IonicContact CZ-OD1 3.34Å; R230-D237 IonicContact CZ-OD2 3.25Å; R230-D237 IonicContact NE-OD1 2.76Å; R230-D237 PolarHBondContact NE-OD1 2.86Å; R230-D237 IonicContact NE-OD2 2.85Å; R230-D237 IonicContact NH2-OD1 2.73Å; R230-D237 PolarHBondContact NH2-OD1 3.25Å; R230-D237 IonicContact NH2-OD2 3.49Å; R230-D237 PolarHBondContact NH2-OD2 3.44Å |
| 231 | D | 76 | Confident | 84.7 | Confident | 43 Ų | 43 | 55.8 Ų | 55.8 | 23% | 0.23 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 110 | 171 | 164.9 | 31.3 | 0 | 0 | 0 | 109.9 | M233 T234 S235 L236 T238 | D231-M233 PolarHBondContact O-N 3.16Å; D231-M233 WeakPolarHBondContact OD1-CB 3.24Å; D231-M233 PolarHBondContact OD1-N 3.33Å; D231-T234 VanDerWaalsContact CB-OG1 3.3Å; D231-T234 WeakPolarHBondContact CB-OG1 3.4Å; D231-T234 PolarHBondContact O-N 2.93Å; D231-T234 VanDerWaalsContact O-N 3.12Å; D231-T234 PolarHBondContact O-OG1 2.97Å; D231-T234 VanDerWaalsContact OD2-CB 3.27Å; D231-T234 WeakPolarHBondContact OD2-CB 3.16Å; D231-T234 WeakPolarHBondContact OD2-CG2 3.42Å; D231-T234 PolarHBondContact OD2-N 2.8Å; D231-T234 PolarHBondContact OD2-OG1 2.7Å; D231-S235 WeakPolarHBondContact O-CA 3.48Å; D231-S235 PolarHBondContact O-N 3.49Å; D231-L236 PolarHBondContact N-O 3.45Å; D231-T238 HydrophobicContact CB-CG2 4.44Å |
| 232 | Q | 73.3 | Confident | 84.6 | Confident | 154 Ų | 154 | 55.7 Ų | 55.7 | 72% | 0.72 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -25.9 | 177.8 | -60.9 | -174 | 6.3 | 0 | 0 | 113.3 | D137 | D137-Q232 PolarHBondContact OD2-NE2 3.27Š|
| 233 | M | 64.3 | Low | 84.5 | Confident | 107 Ų | 107 | 58 Ų | 58 | 53% | 0.527 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -18 | -177.9 | -171.2 | 174.6 | 60.2 | 0 | 0 | 113.8 | D231 K368 | D231-M233 PolarHBondContact O-N 3.16Å; D231-M233 WeakPolarHBondContact OD1-CB 3.24Å; D231-M233 PolarHBondContact OD1-N 3.33Å; M233-K368 HydrophobicContact CE-CB 4.14Å; M233-K368 HydrophobicContact CE-CD 4.02Å; M233-K368 PolarHBondContact O-NZ 3.43Å |
| 234 | T | 67.3 | Low | 84.5 | Confident | 27 Ų | 27 | 58 Ų | 58 | 17% | 0.166 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.9 | -23.6 | 173.1 | 49.9 | 0 | 0 | 0 | 0 | 113.6 | D231 L236 I364 K368 | D231-T234 VanDerWaalsContact CB-OG1 3.3Å; D231-T234 WeakPolarHBondContact CB-OG1 3.4Å; D231-T234 PolarHBondContact O-N 2.93Å; D231-T234 VanDerWaalsContact O-N 3.12Å; D231-T234 PolarHBondContact O-OG1 2.97Å; D231-T234 VanDerWaalsContact OD2-CB 3.27Å; D231-T234 WeakPolarHBondContact OD2-CB 3.16Å; D231-T234 WeakPolarHBondContact OD2-CG2 3.42Å; D231-T234 PolarHBondContact OD2-N 2.8Å; D231-T234 PolarHBondContact OD2-OG1 2.7Å; T234-L236 HydrophobicContact CG2-CD1 4.3Å; T234-L236 PolarHBondContact O-N 2.88Å; T234-L236 WeakPolarHBondContact OG1-CB 3.29Å; T234-L236 PolarHBondContact OG1-N 3.5Å; T234-L236 VanDerWaalsContact OG1-N 3.11Å; T234-I364 HydrophobicContact CG2-CG2 3.84Å; T234-K368 HydrophobicContact CG2-CD 3.79Å |
| 235 | S | 69.9 | Low | 84.6 | Confident | 103 Ų | 103 | 56.1 Ų | 56.1 | 72% | 0.72 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 23.3 | -159.7 | -51.6 | 0 | 0 | 0 | 0 | 113.2 | D231 | D231-S235 WeakPolarHBondContact O-CA 3.48Å; D231-S235 PolarHBondContact O-N 3.49Å |
| 236 | L | 71.4 | Confident | 84.7 | Confident | 86 Ų | 86 | 56.1 Ų | 56.1 | 45% | 0.45 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 141.2 | 170.5 | -62.3 | 172.1 | 0 | 0 | 0 | 109 | D231 T234 I364 | D231-L236 PolarHBondContact N-O 3.45Å; T234-L236 HydrophobicContact CG2-CD1 4.3Å; T234-L236 PolarHBondContact O-N 2.88Å; T234-L236 WeakPolarHBondContact OG1-CB 3.29Å; T234-L236 PolarHBondContact OG1-N 3.5Å; T234-L236 VanDerWaalsContact OG1-N 3.11Å; L236-I364 HydrophobicContact CD1-CD1 4.01Å; L236-I364 HydrophobicContact CD1-CG2 4.43Å |
| 237 | D | 76.9 | Confident | 84.8 | Confident | 60 Ų | 60 | 55.3 Ų | 55.3 | 32% | 0.321 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 128.5 | 170.7 | -71.7 | -9 | 0 | 0 | 0 | 108.6 | R228 R230 | R228-D237 HydrophobicContact CG-CB 3.77Å; R230-D237 WeakPolarHBondContact CA-OD1 3.42Å; R230-D237 WeakPolarHBondContact CB-OD1 3.29Å; R230-D237 WeakPolarHBondContact CG-OD1 3.33Å; R230-D237 IonicContact CZ-OD1 3.34Å; R230-D237 IonicContact CZ-OD2 3.25Å; R230-D237 IonicContact NE-OD1 2.76Å; R230-D237 PolarHBondContact NE-OD1 2.86Å; R230-D237 IonicContact NE-OD2 2.85Å; R230-D237 IonicContact NH2-OD1 2.73Å; R230-D237 PolarHBondContact NH2-OD1 3.25Å; R230-D237 IonicContact NH2-OD2 3.49Å; R230-D237 PolarHBondContact NH2-OD2 3.44Å |
| 238 | T | 81.8 | Confident | 85 | Confident | 17 Ų | 17 | 55 Ų | 55 | 10% | 0.104 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 131.5 | -178 | 66.3 | 0 | 0 | 0 | 0 | 110 | R228 R229 D231 A361 | R228-T238 CarbonylContact C-O 3.16Å; R228-T238 WeakPolarHBondContact CA-O 3.46Å; R229-T238 PolarHBondContact N-O 3.45Å; R229-T238 PolarHBondContact O-N 2.85Å; R229-T238 PolarHBondContact O-OG1 2.89Å; D231-T238 HydrophobicContact CB-CG2 4.44Å; T238-A361 HydrophobicContact CG2-CB 3.85Å |
| 239 | E | 85.9 | Confident | 85.1 | Confident | 64 Ų | 64 | 50 Ų | 50 | 30% | 0.299 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 143.2 | -172.4 | -61.8 | -159.5 | 149.4 | 0 | 0 | 113.9 | R228 E357 D358 | R228-E239 HydrophobicContact CB-CG 4.33Å; R228-E239 HydrophobicContact CG-CG 4.25Å; R228-E239 IonicContact CZ-OE1 3.67Å; R228-E239 IonicContact NE-OE1 3.16Å; R228-E239 PolarHBondContact NE-OE1 3.08Å; R228-E239 IonicContact NH2-OE1 2.68Å; R228-E239 PolarHBondContact NH2-OE1 3.35Å; E239-E357 WeakPolarHBondContact O-CA 3.44Å; E239-D358 PolarHBondContact O-N 2.87Å; E239-D358 VanDerWaalsContact O-N 3.16Å |
| 240 | K | 90.6 | Very high | 85.2 | Confident | 41 Ų | 41 | 45.1 Ų | 45.1 | 18% | 0.178 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 122.3 | 174.6 | 165.3 | 169.2 | -67.7 | -160.2 | 0 | 108.5 | E87 T226 Q227 N356 E357 | E87-K240 WeakPolarHBondContact O-CE 3.07Å; E87-K240 PolarHBondContact O-NZ 2.82Å; T226-K240 WeakPolarHBondContact CA-O 3.41Å; Q227-K240 HydrophobicContact CB-CB 4.18Å; Q227-K240 HydrophobicContact CB-CG 4.46Å; Q227-K240 PolarHBondContact N-O 2.91Å; Q227-K240 PolarHBondContact O-N 3.2Å; K240-N356 WeakPolarHBondContact CA-O 3.46Å; K240-E357 HydrophobicContact CB-CG 4.06Å; K240-E357 VanDerWaalsContact CE-CG 3.45Å; K240-E357 WeakPolarHBondContact CE-OE1 3.43Å; K240-E357 HydrophobicContact CG-CG 4.46Å; K240-E357 IonicContact NZ-OE1 2.68Å; K240-E357 PolarHBondContact NZ-OE1 3.06Å |
| 241 | V | 91.3 | Very high | 85.4 | Confident | 50 Ų | 50 | 39.5 Ų | 39.5 | 30% | 0.303 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 138.7 | -173.2 | -174.7 | 0 | 0 | 0 | 0 | 110.2 | V224 T226 N356 | V224-V241 HydrophobicContact CG1-CG1 3.82Å; T226-V241 HydrophobicContact CG2-CG2 4.21Å; V241-N356 PolarHBondContact N-O 2.86Å; V241-N356 WeakPolarHBondContact O-CB 3.43Å; V241-N356 PolarHBondContact O-ND2 2.87Å |
| 242 | S | 94.6 | Very high | 86 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 128.5 | 177.7 | 56.4 | 0 | 0 | 0 | 0 | 110.9 | A85 Y89 F225 | A85-S242 WeakPolarHBondContact O-CB 3.34Å; A85-S242 PolarHBondContact O-OG 2.77Å; Y89-S242 WeakPolarHBondContact O-CB 3.45Å; F225-S242 WeakPolarHBondContact CD1-OG 3.35Å; F225-S242 PolarHBondContact N-O 3.1Å; F225-S242 PolarHBondContact O-N 2.62Å; F225-S242 PolarHBondContact O-OG 3.2Å |
| 243 | K | 94.2 | Very high | 86.3 | Confident | 58 Ų | 58 | 33.7 Ų | 33.7 | 25% | 0.252 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 107 | 177.9 | -176.2 | 178.4 | 172.2 | -174 | 0 | 109.1 | N90 V91 T222 E312 | N90-K243 WeakPolarHBondContact OD1-CB 3.45Å; N90-K243 PolarHBondContact OD1-N 3.37Å; N90-K243 VanDerWaalsContact OD1-N 3.11Å; V91-K243 PolarHBondContact N-O 3.35Å; V91-K243 VanDerWaalsContact O-O 3.04Å; T222-K243 HydrophobicContact CG2-CG 3.8Å; K243-E312 IonicContact NZ-OE2 3.36Å; K243-E312 PolarHBondContact NZ-OE2 2.93Å |
| 244 | I | 97.5 | Very high | 86.4 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 105.6 | 179.3 | -45.9 | 179.4 | 0 | 0 | 0 | 108.6 | L82 A85 V91 L122 T222 I223 L246 | L82-I244 HydrophobicContact CD1-CD1 4.43Å; A85-I244 HydrophobicContact CB-CD1 3.57Å; A85-I244 HydrophobicContact CB-CG1 3.75Å; V91-I244 HydrophobicContact CB-CG2 4.35Å; V91-I244 HydrophobicContact CG1-CG2 4.04Å; L122-I244 HydrophobicContact CD1-CG2 4.27Å; L122-I244 HydrophobicContact CD2-CD1 4.19Å; L122-I244 HydrophobicContact CD2-CG2 4.3Å; T222-I244 VanDerWaalsContact CA-O 3.31Å; T222-I244 WeakPolarHBondContact CA-O 3.43Å; I223-I244 HydrophobicContact CB-CB 4.22Å; I223-I244 PolarHBondContact N-O 3.19Å; I223-I244 PolarHBondContact O-N 2.97Å; I244-L246 HydrophobicContact CG2-CD1 4.39Å; I244-L246 HydrophobicContact CG2-CD2 3.99Å; I244-L246 HydrophobicContact CG2-CG 4.11Å |
| 245 | S | 96.9 | Very high | 86 | Confident | 3 Ų | 3 | 35.8 Ų | 35.8 | 2% | 0.021 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 113.9 | -178 | -50.6 | 0 | 0 | 0 | 0 | 110.8 | V91 C92 I93 N313 | V91-S245 PolarHBondContact O-N 3.03Å; C92-S245 CarbonylContact C-O 3.57Å; C92-S245 VanDerWaalsContact CA-O 3.25Å; C92-S245 WeakPolarHBondContact CA-O 3.41Å; I93-S245 PolarHBondContact N-O 3.07Å; S245-N313 WeakPolarHBondContact CB-ND2 3.47Å; S245-N313 PolarHBondContact OG-ND2 2.77Å; S245-N313 VanDerWaalsContact OG-ND2 3.15Å |
| 246 | L | 97.8 | Very high | 85.2 | Confident | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 113.3 | -177 | -55.2 | 177 | 0 | 0 | 0 | 109.6 | I93 M107 I119 L122 F221 I244 | I93-L246 HydrophobicContact CB-CD2 3.81Å; I93-L246 HydrophobicContact CD1-CD2 3.84Å; I93-L246 HydrophobicContact CG1-CD2 3.9Å; M107-L246 HydrophobicContact CE-CB 4.01Å; I119-L246 HydrophobicContact CB-CD1 4.26Å; I119-L246 HydrophobicContact CD1-CB 4.2Å; I119-L246 HydrophobicContact CG1-CB 3.89Å; I119-L246 HydrophobicContact CG1-CD1 3.88Å; I119-L246 HydrophobicContact CG1-CG 4.47Å; I119-L246 HydrophobicContact CG2-CD1 4.05Å; L122-L246 HydrophobicContact CD1-CD1 4.34Å; L122-L246 HydrophobicContact CD1-CD2 4.35Å; L122-L246 HydrophobicContact CD2-CD1 4.35Å; F221-L246 HydrophobicContact CB-CB 4.48Å; F221-L246 HydrophobicContact CD1-CD1 4.38Å; F221-L246 PolarHBondContact N-O 3.09Å; F221-L246 PolarHBondContact O-N 2.9Å; I244-L246 HydrophobicContact CG2-CD1 4.39Å; I244-L246 HydrophobicContact CG2-CD2 3.99Å; I244-L246 HydrophobicContact CG2-CG 4.11Å |
| 247 | V | 97.1 | Very high | 84 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 123.9 | -163.3 | -173.4 | 0 | 0 | 0 | 0 | 112.7 | I93 F94 A95 A219 V220 L249 L310 | I93-V247 PolarHBondContact O-N 2.94Å; F94-V247 WeakPolarHBondContact CA-O 3.31Å; F94-V247 HydrophobicContact CB-CB 3.78Å; F94-V247 HydrophobicContact CB-CG1 4.36Å; F94-V247 HydrophobicContact CB-CG2 4.43Å; A95-V247 PolarHBondContact N-O 3.05Å; A219-V247 WeakPolarHBondContact O-CA 3.45Å; V220-V247 HydrophobicContact CG1-CG2 4.23Å; V220-V247 HydrophobicContact CG2-CG1 4.1Å; V220-V247 HydrophobicContact CG2-CG2 4.21Å; V247-L249 HydrophobicContact CG1-CD2 3.51Å; V247-L249 HydrophobicContact CG1-CG 3.99Å; V247-L310 HydrophobicContact CG2-CD2 4.27Å |
| 248 | D | 95.5 | Very high | 82.7 | Confident | 11 Ų | 11 | 38.8 Ų | 38.8 | 6% | 0.059 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 99.3 | 168.9 | -178.2 | 45.7 | 0 | 0 | 0 | 108.7 | K103 S104 M107 R203 H218 A219 | K103-D248 VanDerWaalsContact CB-OD1 3.24Å; K103-D248 WeakPolarHBondContact CB-OD1 3.26Å; S104-D248 WeakPolarHBondContact CA-OD1 3.16Å; S104-D248 WeakPolarHBondContact CB-OD2 3.34Å; S104-D248 PolarHBondContact N-OD1 3.25Å; S104-D248 VanDerWaalsContact N-OD1 3.08Å; S104-D248 VanDerWaalsContact OG-CG 3.28Å; S104-D248 PolarHBondContact OG-OD1 3.43Å; S104-D248 PolarHBondContact OG-OD2 2.97Å; M107-D248 HydrophobicContact CB-CB 4.37Å; M107-D248 HydrophobicContact CG-CB 4.23Å; R203-D248 IonicContact CZ-OD2 2.68Å; R203-D248 IonicContact NH1-OD2 2.64Å; R203-D248 PolarHBondContact NH1-OD2 2.93Å; R203-D248 IonicContact NH2-OD2 2.81Å; H218-D248 CarbonylContact C-O 3.55Å; H218-D248 WeakPolarHBondContact CA-O 3.42Å; A219-D248 PolarHBondContact N-O 2.99Å; A219-D248 PolarHBondContact O-N 2.89Å |
| 249 | L | 93.7 | Very high | 81.3 | Confident | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -71.9 | 166.7 | -176.5 | -62.5 | 175.7 | 0 | 0 | 0 | 112.4 | F94 A95 Y96 K103 H218 V247 L275 L278 L306 | F94-L249 HydrophobicContact CD2-CD1 3.9Å; A95-L249 WeakPolarHBondContact O-CB 3.25Å; A95-L249 WeakPolarHBondContact O-CG 3.26Å; A95-L249 PolarHBondContact O-N 2.94Å; Y96-L249 HydrophobicContact CD2-CD1 3.85Å; K103-L249 WeakPolarHBondContact CE-O 3.33Å; H218-L249 HydrophobicContact CB-CD2 4.18Å; V247-L249 HydrophobicContact CG1-CD2 3.51Å; V247-L249 HydrophobicContact CG1-CG 3.99Å; L249-L275 HydrophobicContact CB-CD2 4.37Å; L249-L275 HydrophobicContact CD1-CD2 4.32Å; L249-L278 HydrophobicContact CD1-CD2 3.79Å; L249-L306 HydrophobicContact CD2-CD1 3.83Å; L249-L306 HydrophobicContact CD2-CD2 3.73Å; L249-L306 HydrophobicContact CD2-CG 4.39Å |
| 250 | A | 90 | Very high | 79.5 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | P | Polyproline II helix | trans | -66.6 | 171.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | K103 S217 H218 S252 I271 L275 | K103-A250 WeakPolarHBondContact CE-O 3.35Å; K103-A250 PolarHBondContact NZ-O 3.48Å; S217-A250 WeakPolarHBondContact O-CA 3.41Å; S217-A250 PolarHBondContact O-N 2.93Å; H218-A250 PolarHBondContact ND1-N 3.35Å; A250-S252 PolarHBondContact O-N 2.88Å; A250-I271 HydrophobicContact CB-CG2 3.91Å; A250-L275 HydrophobicContact CB-CD1 4.39Å |
| 251 | G | 87.8 | Confident | 77.5 | Confident | 4 Ų | 4 | 46.2 Ų | 46.2 | 4% | 0.041 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -56.4 | 128.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | T99 S215 E253 L275 | T99-G251 WeakPolarHBondContact OG1-CA 3.46Å; S215-G251 PolarHBondContact O-N 3.19Å; G251-E253 VanDerWaalsContact C-N 3.29Å; G251-E253 VanDerWaalsContact C-OE2 3.24Å; G251-E253 WeakPolarHBondContact CA-OE2 3.41Å; G251-L275 WeakPolarHBondContact O-CD1 3.25Å |
| 252 | S | 87.4 | Confident | 76.3 | Confident | 13 Ų | 13 | 46.6 Ų | 46.6 | 9% | 0.091 | 28% | 0.276 | C | S | . | . | trans | -81.1 | -3.4 | 177.4 | 70 | 0 | 0 | 0 | 0 | 115 | Y96 G97 Q98 A250 | Y96-S252 WeakPolarHBondContact OH-CB 3.24Å; G97-S252 WeakPolarHBondContact CA-OG 3.33Å; G97-S252 PolarHBondContact O-N 2.77Å; G97-S252 VanDerWaalsContact O-N 3.14Å; G97-S252 PolarHBondContact O-OG 3.01Å; Q98-S252 PolarHBondContact N-OG 2.93Å; Q98-S252 VanDerWaalsContact N-OG 3.17Å; A250-S252 PolarHBondContact O-N 2.88Å | ||
| 253 | E | 80.5 | Confident | 74.4 | Confident | 61 Ų | 61 | 52.2 Ų | 52.2 | 29% | 0.285 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -70.8 | 147.3 | -179.2 | 65.6 | -78 | -178.1 | 0 | 0 | 113.3 | Q98 T99 G251 E335 | Q98-E253 WeakPolarHBondContact CA-OE2 3.38Å; Q98-E253 WeakPolarHBondContact CB-OE2 3.43Å; T99-E253 WeakPolarHBondContact CB-OE1 3.47Å; T99-E253 PolarHBondContact N-OE2 2.84Å; T99-E253 PolarHBondContact OG1-OE1 2.84Å; G251-E253 VanDerWaalsContact C-N 3.29Å; G251-E253 VanDerWaalsContact C-OE2 3.24Å; G251-E253 WeakPolarHBondContact CA-OE2 3.41Å; E253-E335 HydrophobicContact CB-CG 4.36Å |
| 254 | R | 67.3 | Low | 72.8 | Confident | 156 Ų | 156 | 55.6 Ų | 55.6 | 59% | 0.589 | 32% | 0.322 | S | S | * | . | trans | -75.6 | 134.8 | -173.9 | -59 | -176.5 | -177 | -158 | -0.7 | 112.7 | D256 S257 | R254-D256 PolarHBondContact O-N 3.33Å; R254-D256 VanDerWaalsContact O-N 3.15Å; R254-S257 VanDerWaalsContact O-CB 3.29Å; R254-S257 WeakPolarHBondContact O-CB 3.32Å; R254-S257 PolarHBondContact O-N 2.95Å; R254-S257 VanDerWaalsContact O-N 3.12Å; R254-S257 PolarHBondContact O-OG 2.82Å | ||
| 255 | A | 58.8 | Low | 71.3 | Confident | 23 Ų | 23 | 60 Ų | 60 | 19% | 0.19 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -57.6 | -28.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | S257 S258 | A255-S257 PolarHBondContact O-N 3.48Å; A255-S258 WeakPolarHBondContact O-CB 3.05Å; A255-S258 PolarHBondContact O-N 2.91Å; A255-S258 PolarHBondContact O-OG 3Å |
| 256 | D | 52.3 | Low | 69.7 | Low | 142 Ų | 142 | 67.4 Ų | 67.4 | 76% | 0.759 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -54.5 | -26.7 | 176.8 | -54.6 | -36.1 | 0 | 0 | 0 | 113 | R254 S258 | R254-D256 PolarHBondContact O-N 3.33Å; R254-D256 VanDerWaalsContact O-N 3.15Å; D256-S258 PolarHBondContact O-N 3.24Å |
| 257 | S | 46.9 | Very low | 68.1 | Low | 95 Ų | 95 | 68.3 Ų | 68.3 | 66% | 0.664 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -70.6 | -14.5 | 178.8 | -38.5 | 0 | 0 | 0 | 0 | 113.8 | R254 A255 | R254-S257 VanDerWaalsContact O-CB 3.29Å; R254-S257 WeakPolarHBondContact O-CB 3.32Å; R254-S257 PolarHBondContact O-N 2.95Å; R254-S257 VanDerWaalsContact O-N 3.12Å; R254-S257 PolarHBondContact O-OG 2.82Å; A255-S257 PolarHBondContact O-N 3.48Å |
| 258 | S | 50.1 | Low | 66.5 | Low | 74 Ų | 74 | 68.8 Ų | 68.8 | 52% | 0.517 | 39% | 0.386 | S | S | . | . | G | 310 helix | trans | -94 | -15.8 | -168.5 | 70.5 | 0 | 0 | 0 | 0 | 115.3 | A255 D256 A260 | A255-S258 WeakPolarHBondContact O-CB 3.05Å; A255-S258 PolarHBondContact O-N 2.91Å; A255-S258 PolarHBondContact O-OG 3Å; D256-S258 PolarHBondContact O-N 3.24Å; S258-A260 PolarHBondContact O-N 3.43Å; S258-A260 VanDerWaalsContact O-N 3.12Å; S258-A260 WeakPolarHBondContact OG-CB 3.25Å; S258-A260 PolarHBondContact OG-N 3.25Å |
| 259 | G | 50.4 | Low | 65.2 | Low | 67 Ų | 67 | 70.9 Ų | 70.9 | 69% | 0.691 | 40% | 0.404 | S | S | * | . | trans | 63.9 | 8.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 260 | A | 48.5 | Very low | 64.1 | Low | 27 Ų | 27 | 73.7 Ų | 73.7 | 22% | 0.223 | 42% | 0.419 | C | S | . | . | trans | -66.8 | 141.6 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | S258 R264 | S258-A260 PolarHBondContact O-N 3.43Å; S258-A260 VanDerWaalsContact O-N 3.12Å; S258-A260 WeakPolarHBondContact OG-CB 3.25Å; S258-A260 PolarHBondContact OG-N 3.25Å; A260-R264 HydrophobicContact CB-CB 3.91Å | ||
| 261 | K | 49.3 | Very low | 63 | Low | 184 Ų | 184 | 74.3 Ų | 74.3 | 80% | 0.8 | 42% | 0.422 | S | S | * | . | trans | -120.4 | 161.8 | 173.4 | -64.6 | -178.4 | -179.4 | 178 | 0 | 110.5 | ||||
| 262 | G | 65.6 | Low | 62.3 | Low | 58 Ų | 58 | 75.9 Ų | 75.9 | 60% | 0.598 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.2 | -135.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | R264 L265 K266 | G262-R264 PolarHBondContact O-N 3.01Å; G262-L265 WeakPolarHBondContact O-CB 3.5Å; G262-L265 PolarHBondContact O-N 2.9Å; G262-L265 VanDerWaalsContact O-N 3.08Å; G262-K266 PolarHBondContact O-N 2.95Å |
| 263 | T | 56 | Low | 62.3 | Low | 118 Ų | 118 | 79.1 Ų | 79.1 | 72% | 0.724 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -58 | -43.8 | -177.9 | 45.4 | 0 | 0 | 0 | 0 | 112.8 | L265 K266 E267 | T263-L265 PolarHBondContact O-N 2.82Å; T263-L265 VanDerWaalsContact O-N 3.13Å; T263-K266 PolarHBondContact O-N 2.88Å; T263-E267 WeakPolarHBondContact O-CB 3.36Å; T263-E267 PolarHBondContact O-N 2.78Å |
| 264 | R | 60.6 | Low | 62.6 | Low | 130 Ų | 130 | 76.3 Ų | 76.3 | 49% | 0.491 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -58.9 | -22.9 | 175.9 | -72.7 | 178.5 | 174.7 | 153.5 | -3.3 | 113.6 | N211 A260 G262 G268 | N211-R264 PolarHBondContact OD1-NH2 3.15Å; A260-R264 HydrophobicContact CB-CB 3.91Å; G262-R264 PolarHBondContact O-N 3.01Å; R264-G268 PolarHBondContact O-N 2.8Å |
| 265 | L | 64.2 | Low | 63.6 | Low | 91 Ų | 91 | 69.3 Ų | 69.3 | 48% | 0.476 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -79.1 | -38.3 | 173.9 | -174.3 | 63.6 | 0 | 0 | 0 | 112.1 | G262 T263 E267 A269 | G262-L265 WeakPolarHBondContact O-CB 3.5Å; G262-L265 PolarHBondContact O-N 2.9Å; G262-L265 VanDerWaalsContact O-N 3.08Å; T263-L265 PolarHBondContact O-N 2.82Å; T263-L265 VanDerWaalsContact O-N 3.13Å; L265-E267 VanDerWaalsContact C-N 3.35Å; L265-A269 VanDerWaalsContact O-CB 3.29Å; L265-A269 WeakPolarHBondContact O-CB 3.43Å; L265-A269 PolarHBondContact O-N 2.89Å |
| 266 | K | 64.4 | Low | 65.1 | Low | 159 Ų | 159 | 72 Ų | 72 | 69% | 0.691 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -65.8 | -40.1 | 171.7 | -68.2 | -175.6 | 175.9 | -178.9 | 0 | 111.4 | G262 T263 A269 N270 | G262-K266 PolarHBondContact O-N 2.95Å; T263-K266 PolarHBondContact O-N 2.88Å; K266-A269 PolarHBondContact O-N 2.79Å; K266-N270 PolarHBondContact O-N 3Å |
| 267 | E | 64.2 | Low | 67 | Low | 20 Ų | 20 | 65.5 Ų | 65.5 | 9% | 0.093 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -56.6 | -58.5 | 172 | -171.2 | -154.5 | 131.4 | 0 | 0 | 110.7 | Y150 R216 T263 L265 A269 N270 I271 | Y150-E267 HydrophobicContact CE2-CG 4.29Å; Y150-E267 VanDerWaalsContact OH-CD 3.31Å; Y150-E267 WeakPolarHBondContact OH-CG 3.38Å; Y150-E267 PolarHBondContact OH-OE1 3.08Å; R216-E267 WeakPolarHBondContact CD-OE1 3.23Å; R216-E267 IonicContact CZ-OE1 3.53Å; R216-E267 IonicContact NE-OE1 2.68Å; R216-E267 IonicContact NH1-OE1 3.53Å; R216-E267 PolarHBondContact NH1-OE1 3.01Å; R216-E267 IonicContact NH1-OE2 3.67Å; T263-E267 WeakPolarHBondContact O-CB 3.36Å; T263-E267 PolarHBondContact O-N 2.78Å; L265-E267 VanDerWaalsContact C-N 3.35Å; E267-A269 VanDerWaalsContact C-N 3.28Å; E267-A269 PolarHBondContact O-N 3.14Å; E267-N270 PolarHBondContact O-N 3.42Å; E267-I271 HydrophobicContact CG-CD1 4Å; E267-I271 WeakPolarHBondContact O-CD1 3.41Å; E267-I271 VanDerWaalsContact O-CG1 3.29Å; E267-I271 WeakPolarHBondContact O-CG1 3.47Å; E267-I271 PolarHBondContact O-N 2.8Å |
| 268 | G | 63.6 | Low | 69.1 | Low | 11 Ų | 11 | 61 Ų | 61 | 11% | 0.113 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -55.7 | -38.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | R264 N272 | R264-G268 PolarHBondContact O-N 2.8Å; G268-N272 WeakPolarHBondContact O-CB 3.47Å; G268-N272 PolarHBondContact O-N 3.09Å; G268-N272 PolarHBondContact O-ND2 3.44Å |
| 269 | A | 67.8 | Low | 71.1 | Confident | 54 Ų | 54 | 58 Ų | 58 | 45% | 0.446 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.9 | -40.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L265 K266 E267 N272 K273 | L265-A269 VanDerWaalsContact O-CB 3.29Å; L265-A269 WeakPolarHBondContact O-CB 3.43Å; L265-A269 PolarHBondContact O-N 2.89Å; K266-A269 PolarHBondContact O-N 2.79Å; E267-A269 VanDerWaalsContact C-N 3.28Å; E267-A269 PolarHBondContact O-N 3.14Å; A269-N272 PolarHBondContact O-N 3Å; A269-K273 WeakPolarHBondContact O-CB 3.34Å; A269-K273 PolarHBondContact O-N 3.37Å |
| 270 | N | 69.8 | Low | 73.1 | Confident | 60 Ų | 60 | 59.4 Ų | 59.4 | 32% | 0.321 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -72.4 | -35.2 | 177.7 | -74.4 | -11.4 | 0 | 0 | 0 | 112.7 | C151 E152 K266 E267 K273 S274 | C151-N270 HydrophobicContact CB-CB 4.16Å; E152-N270 HydrophobicContact CG-CB 4.43Å; K266-N270 PolarHBondContact O-N 3Å; E267-N270 PolarHBondContact O-N 3.42Å; N270-K273 WeakPolarHBondContact O-CB 3.43Å; N270-K273 PolarHBondContact O-N 3.24Å; N270-S274 PolarHBondContact O-N 3.39Å; N270-S274 PolarHBondContact O-OG 2.84Å |
| 271 | I | 67.6 | Low | 75.2 | Confident | 13 Ų | 13 | 58.1 Ų | 58.1 | 7% | 0.067 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.5 | -44.8 | 173 | -59.6 | 156 | 0 | 0 | 0 | 109.9 | Y150 R216 A250 E267 K273 S274 | Y150-I271 HydrophobicContact CE2-CD1 4.39Å; R216-I271 HydrophobicContact CB-CD1 3.62Å; R216-I271 HydrophobicContact CB-CG1 4.35Å; R216-I271 HydrophobicContact CG-CD1 3.98Å; R216-I271 WeakPolarHBondContact O-CG1 3.39Å; R216-I271 WeakPolarHBondContact O-CG2 2.87Å; A250-I271 HydrophobicContact CB-CG2 3.91Å; E267-I271 HydrophobicContact CG-CD1 4Å; E267-I271 WeakPolarHBondContact O-CD1 3.41Å; E267-I271 VanDerWaalsContact O-CG1 3.29Å; E267-I271 WeakPolarHBondContact O-CG1 3.47Å; E267-I271 PolarHBondContact O-N 2.8Å; I271-K273 VanDerWaalsContact C-N 3.3Å; I271-K273 PolarHBondContact O-N 3.43Å; I271-S274 PolarHBondContact O-N 2.91Å |
| 272 | N | 73.6 | Confident | 77.2 | Confident | 37 Ų | 37 | 49.4 Ų | 49.4 | 20% | 0.198 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68.3 | -26.6 | 175 | -82.5 | -98.4 | 0 | 0 | 0 | 112.3 | G268 A269 T276 | G268-N272 WeakPolarHBondContact O-CB 3.47Å; G268-N272 PolarHBondContact O-N 3.09Å; G268-N272 PolarHBondContact O-ND2 3.44Å; A269-N272 PolarHBondContact O-N 3Å; N272-T276 WeakPolarHBondContact O-CA 3.21Å; N272-T276 WeakPolarHBondContact O-CB 3.45Å; N272-T276 PolarHBondContact O-N 3.3Å; N272-T276 PolarHBondContact O-OG1 3.41Å |
| 273 | K | 86.1 | Confident | 78.3 | Confident | 82 Ų | 82 | 47.8 Ų | 47.8 | 36% | 0.357 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -59.6 | -48 | 175.3 | 178 | 178.5 | 176.6 | -72 | 0 | 111.3 | E152 A269 N270 I271 T277 D303 | E152-K273 HydrophobicContact CG-CD 4.06Å; E152-K273 IonicContact OE2-NZ 3.63Å; E152-K273 PolarHBondContact OE2-NZ 3.41Å; A269-K273 WeakPolarHBondContact O-CB 3.34Å; A269-K273 PolarHBondContact O-N 3.37Å; N270-K273 WeakPolarHBondContact O-CB 3.43Å; N270-K273 PolarHBondContact O-N 3.24Å; I271-K273 VanDerWaalsContact C-N 3.3Å; I271-K273 PolarHBondContact O-N 3.43Å; K273-T277 VanDerWaalsContact O-CB 3.23Å; K273-T277 WeakPolarHBondContact O-CB 3.39Å; K273-T277 PolarHBondContact O-N 2.86Å; K273-T277 PolarHBondContact O-OG1 3.42Å; K273-D303 WeakPolarHBondContact CE-O 3.37Å; K273-D303 PolarHBondContact NZ-O 3.06Å |
| 274 | S | 88.3 | Confident | 80 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.007 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.3 | -46.7 | -179.9 | -6.7 | 0 | 0 | 0 | 0 | 112 | E152 H218 N270 I271 T277 L278 | E152-S274 WeakPolarHBondContact OE1-CB 3.42Å; E152-S274 PolarHBondContact OE1-OG 2.96Å; H218-S274 WeakPolarHBondContact NE2-CB 3.32Å; H218-S274 PolarHBondContact NE2-OG 3.38Å; N270-S274 PolarHBondContact O-N 3.39Å; N270-S274 PolarHBondContact O-OG 2.84Å; I271-S274 PolarHBondContact O-N 2.91Å; S274-T277 PolarHBondContact O-N 3.37Å; S274-L278 WeakPolarHBondContact O-CB 3.47Å; S274-L278 PolarHBondContact O-N 2.69Å |
| 275 | L | 88.1 | Confident | 81.3 | Confident | 10 Ų | 10 | 37.6 Ų | 37.6 | 5% | 0.052 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -72.8 | -34.8 | -179.3 | -63.6 | -176.3 | 0 | 0 | 0 | 113.8 | Y96 L249 A250 G251 T277 L278 G279 L306 | Y96-L275 HydrophobicContact CE2-CD2 4.38Å; L249-L275 HydrophobicContact CB-CD2 4.37Å; L249-L275 HydrophobicContact CD1-CD2 4.32Å; A250-L275 HydrophobicContact CB-CD1 4.39Å; G251-L275 WeakPolarHBondContact O-CD1 3.25Å; L275-T277 VanDerWaalsContact C-N 3.35Å; L275-L278 HydrophobicContact CD2-CD2 4.28Å; L275-L278 PolarHBondContact O-N 2.99Å; L275-G279 PolarHBondContact O-N 3.48Å; L275-L306 HydrophobicContact CD2-CD2 4.29Å |
| 276 | T | 88.9 | Confident | 82.4 | Confident | 80 Ų | 80 | 33.4 Ų | 33.4 | 49% | 0.491 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -64.3 | -43 | 172 | -61.3 | 0 | 0 | 0 | 0 | 110.1 | N272 G279 K280 | N272-T276 WeakPolarHBondContact O-CA 3.21Å; N272-T276 WeakPolarHBondContact O-CB 3.45Å; N272-T276 PolarHBondContact O-N 3.3Å; N272-T276 PolarHBondContact O-OG1 3.41Å; T276-G279 CarbonylContact O-C 3.28Å; T276-G279 WeakPolarHBondContact O-CA 3.47Å; T276-G279 PolarHBondContact O-N 2.98Å; T276-G279 VanDerWaalsContact O-N 3.15Å; T276-K280 WeakPolarHBondContact O-CG 3.46Å; T276-K280 PolarHBondContact O-N 3.31Å |
| 277 | T | 92.9 | Very high | 83.3 | Confident | 4 Ų | 4 | 31.8 Ų | 31.8 | 3% | 0.025 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.4 | -43.7 | 177.1 | -56.9 | 0 | 0 | 0 | 0 | 111.5 | K273 S274 L275 G279 K280 V281 P300 D303 T307 | K273-T277 VanDerWaalsContact O-CB 3.23Å; K273-T277 WeakPolarHBondContact O-CB 3.39Å; K273-T277 PolarHBondContact O-N 2.86Å; K273-T277 PolarHBondContact O-OG1 3.42Å; S274-T277 PolarHBondContact O-N 3.37Å; L275-T277 VanDerWaalsContact C-N 3.35Å; T277-G279 PolarHBondContact O-N 3.02Å; T277-K280 WeakPolarHBondContact O-CA 3.4Å; T277-K280 WeakPolarHBondContact O-CB 3.47Å; T277-K280 PolarHBondContact O-N 2.85Å; T277-V281 HydrophobicContact CG2-CG2 4.44Å; T277-V281 WeakPolarHBondContact O-CG2 3.36Å; T277-V281 PolarHBondContact O-N 2.66Å; T277-P300 WeakPolarHBondContact CG2-O 3.31Å; T277-D303 HydrophobicContact CG2-CB 3.28Å; T277-T307 HydrophobicContact CG2-CG2 3.88Å; T277-T307 VanDerWaalsContact CG2-OG1 3.26Å; T277-T307 WeakPolarHBondContact CG2-OG1 3.39Å |
| 278 | L | 92.3 | Very high | 84 | Confident | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -55.1 | -41.6 | 171.2 | -171.2 | 70.3 | 0 | 0 | 0 | 110.7 | L249 S274 L275 V281 I282 L306 T307 L314 Y342 | L249-L278 HydrophobicContact CD1-CD2 3.79Å; S274-L278 WeakPolarHBondContact O-CB 3.47Å; S274-L278 PolarHBondContact O-N 2.69Å; L275-L278 HydrophobicContact CD2-CD2 4.28Å; L275-L278 PolarHBondContact O-N 2.99Å; L278-V281 PolarHBondContact O-N 2.78Å; L278-I282 HydrophobicContact CD1-CD1 4.44Å; L278-I282 HydrophobicContact CG-CD1 4.06Å; L278-I282 WeakPolarHBondContact O-CB 3.47Å; L278-I282 VanDerWaalsContact O-CG1 3.29Å; L278-I282 WeakPolarHBondContact O-CG1 3.37Å; L278-I282 PolarHBondContact O-N 3.41Å; L278-L306 HydrophobicContact CD2-CD2 4.26Å; L278-T307 VanDerWaalsContact CA-CG2 3.44Å; L278-T307 HydrophobicContact CB-CG2 3.87Å; L278-T307 HydrophobicContact CD1-CG2 3.91Å; L278-L314 HydrophobicContact CD1-CD1 3.39Å; L278-Y342 WeakPolarHBondContact CB-OH 3.47Å; L278-Y342 WeakPolarHBondContact CD2-OH 3.46Å; L278-Y342 WeakPolarHBondContact CG-OH 3.07Å |
| 279 | G | 90.9 | Very high | 84.4 | Confident | 11 Ų | 11 | 38 Ų | 38 | 11% | 0.113 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.9 | -37.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | L275 T276 T277 S283 Y342 | L275-G279 PolarHBondContact O-N 3.48Å; T276-G279 CarbonylContact O-C 3.28Å; T276-G279 WeakPolarHBondContact O-CA 3.47Å; T276-G279 PolarHBondContact O-N 2.98Å; T276-G279 VanDerWaalsContact O-N 3.15Å; T277-G279 PolarHBondContact O-N 3.02Å; G279-S283 WeakPolarHBondContact O-CB 3.48Å; G279-S283 PolarHBondContact O-N 3.21Å; G279-S283 VanDerWaalsContact O-N 3.11Å; G279-S283 PolarHBondContact O-OG 3.26Å; G279-Y342 PolarHBondContact N-OH 3.02Å; G279-Y342 VanDerWaalsContact N-OH 3.15Å |
| 280 | K | 91.8 | Very high | 84.4 | Confident | 97 Ų | 97 | 39.5 Ų | 39.5 | 42% | 0.422 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.8 | -51.6 | 172.2 | -62.7 | -179.7 | -166.7 | 177 | 0 | 110.7 | T276 T277 I282 S283 A284 P300 D303 | T276-K280 WeakPolarHBondContact O-CG 3.46Å; T276-K280 PolarHBondContact O-N 3.31Å; T277-K280 WeakPolarHBondContact O-CA 3.4Å; T277-K280 WeakPolarHBondContact O-CB 3.47Å; T277-K280 PolarHBondContact O-N 2.85Å; K280-I282 PolarHBondContact O-N 3.15Å; K280-S283 PolarHBondContact O-N 2.76Å; K280-A284 WeakPolarHBondContact O-CB 3.07Å; K280-A284 PolarHBondContact O-N 2.81Å; K280-P300 HydrophobicContact CB-CG 3.9Å; K280-P300 HydrophobicContact CD-CG 4.14Å; K280-D303 IonicContact NZ-OD2 3.55Å; K280-D303 PolarHBondContact NZ-OD2 2.83Å |
| 281 | V | 93.3 | Very high | 84.1 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57.4 | -49.4 | -178.6 | 167.8 | 0 | 0 | 0 | 0 | 110.6 | T277 L278 S283 A284 L285 I299 P300 Y301 T307 | T277-V281 HydrophobicContact CG2-CG2 4.44Å; T277-V281 WeakPolarHBondContact O-CG2 3.36Å; T277-V281 PolarHBondContact O-N 2.66Å; L278-V281 PolarHBondContact O-N 2.78Å; V281-S283 VanDerWaalsContact C-N 3.33Å; V281-S283 PolarHBondContact O-N 2.94Å; V281-A284 PolarHBondContact O-N 3.1Å; V281-L285 HydrophobicContact CG1-CD1 3.76Å; V281-L285 WeakPolarHBondContact O-CB 3.36Å; V281-L285 WeakPolarHBondContact O-CD1 3.33Å; V281-L285 VanDerWaalsContact O-CG 3.31Å; V281-L285 WeakPolarHBondContact O-CG 3.4Å; V281-L285 PolarHBondContact O-N 2.9Å; V281-I299 HydrophobicContact CB-CG2 4.29Å; V281-I299 HydrophobicContact CG1-CG2 3.94Å; V281-I299 HydrophobicContact CG2-CG2 4.09Å; V281-P300 HydrophobicContact CG2-CG 4.11Å; V281-Y301 HydrophobicContact CG1-CD1 3.92Å; V281-Y301 HydrophobicContact CG1-CE1 3.58Å; V281-Y301 HydrophobicContact CG2-CD1 4.3Å; V281-T307 HydrophobicContact CG2-CG2 4.08Å |
| 282 | I | 91.1 | Very high | 83.7 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.6 | -41.2 | 177.2 | -74.5 | 174.4 | 0 | 0 | 0 | 111.9 | L278 K280 A286 Y342 R345 A346 I349 | L278-I282 HydrophobicContact CD1-CD1 4.44Å; L278-I282 HydrophobicContact CG-CD1 4.06Å; L278-I282 WeakPolarHBondContact O-CB 3.47Å; L278-I282 VanDerWaalsContact O-CG1 3.29Å; L278-I282 WeakPolarHBondContact O-CG1 3.37Å; L278-I282 PolarHBondContact O-N 3.41Å; K280-I282 PolarHBondContact O-N 3.15Å; I282-A286 WeakPolarHBondContact O-CB 3.5Å; I282-A286 PolarHBondContact O-N 3.21Å; I282-A286 VanDerWaalsContact O-N 3.08Å; I282-Y342 HydrophobicContact CD1-CD1 4.3Å; I282-Y342 HydrophobicContact CD1-CE1 3.39Å; I282-R345 HydrophobicContact CG2-CB 4.12Å; I282-A346 HydrophobicContact CG2-CB 4.27Å; I282-I349 HydrophobicContact CB-CD1 4.05Å; I282-I349 HydrophobicContact CG1-CD1 3.71Å; I282-I349 HydrophobicContact CG2-CD1 4.04Å |
| 283 | S | 89.8 | Confident | 82.9 | Confident | 25 Ų | 25 | 57.9 Ų | 57.9 | 18% | 0.175 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -72.3 | -40.1 | -178.9 | -51.6 | 0 | 0 | 0 | 0 | 111.8 | G279 K280 V281 A286 E287 R345 | G279-S283 WeakPolarHBondContact O-CB 3.48Å; G279-S283 PolarHBondContact O-N 3.21Å; G279-S283 VanDerWaalsContact O-N 3.11Å; G279-S283 PolarHBondContact O-OG 3.26Å; K280-S283 PolarHBondContact O-N 2.76Å; V281-S283 VanDerWaalsContact C-N 3.33Å; V281-S283 PolarHBondContact O-N 2.94Å; S283-A286 PolarHBondContact O-N 2.98Å; S283-E287 WeakPolarHBondContact O-CB 3.33Å; S283-E287 WeakPolarHBondContact O-CG 3.49Å; S283-E287 PolarHBondContact O-N 2.64Å; S283-R345 PolarHBondContact OG-NE 3.14Å; S283-R345 VanDerWaalsContact OG-NE 3.09Å |
| 284 | A | 90.3 | Very high | 81.5 | Confident | 16 Ų | 16 | 63.2 Ų | 63.2 | 13% | 0.132 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62 | -47 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | K280 V281 A286 E287 M288 | K280-A284 WeakPolarHBondContact O-CB 3.07Å; K280-A284 PolarHBondContact O-N 2.81Å; V281-A284 PolarHBondContact O-N 3.1Å; A284-A286 VanDerWaalsContact C-N 3.31Å; A284-A286 PolarHBondContact O-N 3.43Å; A284-E287 PolarHBondContact O-N 3.13Å; A284-M288 WeakPolarHBondContact O-CB 3.5Å; A284-M288 VanDerWaalsContact O-CG 3.24Å; A284-M288 WeakPolarHBondContact O-CG 3.4Å; A284-M288 PolarHBondContact O-N 3.44Å |
| 285 | L | 88.8 | Confident | 79.8 | Confident | 17 Ų | 17 | 70.6 Ų | 70.6 | 9% | 0.089 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.3 | -39.7 | 176.9 | -76.1 | 165.3 | 0 | 0 | 0 | 112.6 | V281 I299 L314 I349 | V281-L285 HydrophobicContact CG1-CD1 3.76Å; V281-L285 WeakPolarHBondContact O-CB 3.36Å; V281-L285 WeakPolarHBondContact O-CD1 3.33Å; V281-L285 VanDerWaalsContact O-CG 3.31Å; V281-L285 WeakPolarHBondContact O-CG 3.4Å; V281-L285 PolarHBondContact O-N 2.9Å; L285-I299 HydrophobicContact CD2-CD1 3.71Å; L285-I299 HydrophobicContact CG-CD1 4.28Å; L285-L314 HydrophobicContact CD1-CB 4.23Å; L285-L314 WeakPolarHBondContact CD1-O 3.46Å; L285-I349 HydrophobicContact CB-CD1 4.21Å; L285-I349 HydrophobicContact CB-CG1 3.82Å; L285-I349 HydrophobicContact CB-CG2 4.21Å; L285-I349 HydrophobicContact CD1-CD1 4.09Å; L285-I349 HydrophobicContact CD1-CG1 4.45Å; L285-I349 HydrophobicContact CD1-CG2 4.06Å |
| 286 | A | 86.1 | Confident | 78.2 | Confident | 4 Ų | 4 | 72.3 Ų | 72.3 | 3% | 0.033 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -68.6 | -47.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | I282 S283 A284 M288 Q289 S290 Q348 | I282-A286 WeakPolarHBondContact O-CB 3.5Å; I282-A286 PolarHBondContact O-N 3.21Å; I282-A286 VanDerWaalsContact O-N 3.08Å; S283-A286 PolarHBondContact O-N 2.98Å; A284-A286 VanDerWaalsContact C-N 3.31Å; A284-A286 PolarHBondContact O-N 3.43Å; A286-M288 VanDerWaalsContact C-N 3.33Å; A286-M288 PolarHBondContact O-N 2.87Å; A286-Q289 PolarHBondContact O-N 3.27Å; A286-Q289 VanDerWaalsContact O-N 3.14Å; A286-S290 PolarHBondContact O-N 3Å; A286-Q348 HydrophobicContact CB-CB 3.85Å |
| 287 | E | 84.3 | Confident | 76.9 | Confident | 125 Ų | 125 | 75.1 Ų | 75.1 | 58% | 0.584 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -60.1 | -41.2 | -179.9 | -78.2 | -178.6 | -142.9 | 0 | 0 | 112.2 | S283 A284 Q289 S290 N291 | S283-E287 WeakPolarHBondContact O-CB 3.33Å; S283-E287 WeakPolarHBondContact O-CG 3.49Å; S283-E287 PolarHBondContact O-N 2.64Å; A284-E287 PolarHBondContact O-N 3.13Å; E287-Q289 VanDerWaalsContact C-N 3.26Å; E287-Q289 PolarHBondContact O-N 3.23Å; E287-S290 PolarHBondContact O-N 3.44Å; E287-S290 PolarHBondContact O-OG 2.84Å; E287-N291 PolarHBondContact O-N 3.32Å; E287-N291 VanDerWaalsContact O-N 3.09Å |
| 288 | M | 79.7 | Confident | 76.5 | Confident | 58 Ų | 58 | 82 Ų | 82 | 29% | 0.286 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -59.3 | -31 | 176.5 | -72.5 | 172.1 | 79.8 | 0 | 0 | 113.6 | A284 A286 S296 I299 | A284-M288 WeakPolarHBondContact O-CB 3.5Å; A284-M288 VanDerWaalsContact O-CG 3.24Å; A284-M288 WeakPolarHBondContact O-CG 3.4Å; A284-M288 PolarHBondContact O-N 3.44Å; A286-M288 VanDerWaalsContact C-N 3.33Å; A286-M288 PolarHBondContact O-N 2.87Å; M288-S296 WeakPolarHBondContact CG-OG 3.39Å; M288-I299 HydrophobicContact CE-CD1 4.4Å; M288-I299 HydrophobicContact SD-CD1 3.84Å; M288-I299 HydrophobicContact SD-CG1 3.92Å |
| 289 | Q | 71.6 | Confident | 76.4 | Confident | 102 Ų | 102 | 83.4 Ų | 83.4 | 48% | 0.477 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -76.6 | -37 | 173.8 | -61.8 | -60.8 | -45.3 | 0 | 0 | 111.8 | A286 E287 | A286-Q289 PolarHBondContact O-N 3.27Å; A286-Q289 VanDerWaalsContact O-N 3.14Å; E287-Q289 VanDerWaalsContact C-N 3.26Å; E287-Q289 PolarHBondContact O-N 3.23Å |
| 290 | S | 67.8 | Low | 76.5 | Confident | 86 Ų | 86 | 83.7 Ų | 83.7 | 60% | 0.601 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -71.1 | -32.3 | -176.6 | 76.4 | 0 | 0 | 0 | 0 | 113.8 | A286 E287 | A286-S290 PolarHBondContact O-N 3Å; E287-S290 PolarHBondContact O-N 3.44Å; E287-S290 PolarHBondContact O-OG 2.84Å |
| 291 | N | 63.3 | Low | 76.5 | Confident | 82 Ų | 82 | 80.5 Ų | 80.5 | 44% | 0.439 | 39% | 0.387 | S | S | . | . | trans | -136.2 | 81.2 | -158.1 | -152.2 | -19.2 | 0 | 0 | 0 | 113.4 | E287 K293 R294 | E287-N291 PolarHBondContact O-N 3.32Å; E287-N291 VanDerWaalsContact O-N 3.09Å; N291-K293 PolarHBondContact O-N 2.89Å; N291-R294 CarbonylContact O-C 3.6Å; N291-R294 PolarHBondContact O-N 3.08Å | ||
| 292 | K | 59 | Low | 76.5 | Confident | 214 Ų | 214 | 88.5 Ų | 88.5 | 93% | 0.93 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | -13.2 | -179 | -67.2 | -174.8 | 177.9 | -178 | 0 | 116.1 | ||
| 293 | K | 57.7 | Low | 76.5 | Confident | 200 Ų | 200 | 91.4 Ų | 91.4 | 87% | 0.87 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | -3.4 | 175.7 | -78.7 | -169.7 | 173.1 | -174.8 | 0 | 114.6 | N291 | N291-K293 PolarHBondContact O-N 2.89Š|
| 294 | R | 55.9 | Low | 76.7 | Confident | 194 Ų | 194 | 90.3 Ų | 90.3 | 73% | 0.732 | 43% | 0.425 | S | S | * | . | trans | -136.9 | 85.8 | 173.2 | -71.9 | -171.7 | 178 | -173.8 | -0.8 | 109.7 | N291 S296 | N291-R294 CarbonylContact O-C 3.6Å; N291-R294 PolarHBondContact O-N 3.08Å; R294-S296 PolarHBondContact O-N 3.46Å | ||
| 295 | K | 53.2 | Low | 76.8 | Confident | 156 Ų | 156 | 90.7 Ų | 90.7 | 68% | 0.678 | 43% | 0.426 | S | S | * | . | trans | -66.1 | 120.9 | 149.3 | -71.5 | -173 | 177.5 | -176.9 | 0 | 106.9 | D297 | K295-D297 VanDerWaalsContact CB-OD1 3.3Å; K295-D297 WeakPolarHBondContact CB-OD1 3.49Å; K295-D297 VanDerWaalsContact CD-OD1 3.25Å; K295-D297 WeakPolarHBondContact CD-OD1 3.26Å; K295-D297 PolarHBondContact O-N 3.43Å | ||
| 296 | S | 54.5 | Low | 77.1 | Confident | 47 Ų | 47 | 89.9 Ų | 89.9 | 33% | 0.329 | 42% | 0.421 | S | S | . | . | trans | -79.7 | 97.3 | 150.8 | 49.5 | 0 | 0 | 0 | 0 | 106.1 | M288 R294 F298 | M288-S296 WeakPolarHBondContact CG-OG 3.39Å; R294-S296 PolarHBondContact O-N 3.46Å; S296-F298 PolarHBondContact O-N 2.93Å; S296-F298 VanDerWaalsContact O-N 3.1Å | ||
| 297 | D | 61.4 | Low | 77.4 | Confident | 138 Ų | 138 | 89.7 Ų | 89.7 | 74% | 0.738 | 42% | 0.42 | S | S | * | . | trans | -66 | -13.2 | -174.5 | -62.8 | -57.7 | 0 | 0 | 0 | 113.1 | K295 | K295-D297 VanDerWaalsContact CB-OD1 3.3Å; K295-D297 WeakPolarHBondContact CB-OD1 3.49Å; K295-D297 VanDerWaalsContact CD-OD1 3.25Å; K295-D297 WeakPolarHBondContact CD-OD1 3.26Å; K295-D297 PolarHBondContact O-N 3.43Å | ||
| 298 | F | 84 | Confident | 77.9 | Confident | 149 Ų | 149 | 85.9 Ų | 85.9 | 65% | 0.654 | 40% | 0.4 | S | S | * | . | trans | -109.1 | 122.2 | 173.1 | -173.4 | -103.5 | 0 | 0 | 0 | 112 | S296 P300 | S296-F298 PolarHBondContact O-N 2.93Å; S296-F298 VanDerWaalsContact O-N 3.1Å; F298-P300 HydrophobicContact CE1-CB 3.92Å | ||
| 299 | I | 89.8 | Confident | 78.5 | Confident | 31 Ų | 31 | 84 Ų | 84 | 16% | 0.159 | 39% | 0.391 | C | S | . | . | trans | -107.5 | 125.2 | 169 | -57.9 | 163.8 | 0 | 0 | 0 | 107.6 | V281 L285 M288 Y301 | V281-I299 HydrophobicContact CB-CG2 4.29Å; V281-I299 HydrophobicContact CG1-CG2 3.94Å; V281-I299 HydrophobicContact CG2-CG2 4.09Å; L285-I299 HydrophobicContact CD2-CD1 3.71Å; L285-I299 HydrophobicContact CG-CD1 4.28Å; M288-I299 HydrophobicContact CE-CD1 4.4Å; M288-I299 HydrophobicContact SD-CD1 3.84Å; M288-I299 HydrophobicContact SD-CG1 3.92Å; I299-Y301 HydrophobicContact CB-CD2 3.9Å; I299-Y301 HydrophobicContact CB-CE2 3.53Å; I299-Y301 HydrophobicContact CD1-CE2 4.02Å; I299-Y301 HydrophobicContact CG1-CE2 4.41Å; I299-Y301 HydrophobicContact CG2-CD2 3.76Å; I299-Y301 HydrophobicContact CG2-CE1 4.2Å; I299-Y301 HydrophobicContact CG2-CE2 3.38Å; I299-Y301 HydrophobicContact CG2-CG 4.33Å; I299-Y301 WeakPolarHBondContact O-CD2 3.19Å; I299-Y301 PolarHBondContact O-N 3.13Å | ||
| 300 | P | 92.6 | Very high | 79.4 | Confident | 16 Ų | 16 | 79.5 Ų | 79.5 | 10% | 0.104 | 37% | 0.37 | C | S | . | . | trans | -80.7 | 59.3 | -168.3 | 33.5 | -37.7 | 0 | 0 | 0 | 113 | T277 K280 V281 F298 D303 | T277-P300 WeakPolarHBondContact CG2-O 3.31Å; K280-P300 HydrophobicContact CB-CG 3.9Å; K280-P300 HydrophobicContact CD-CG 4.14Å; V281-P300 HydrophobicContact CG2-CG 4.11Å; F298-P300 HydrophobicContact CE1-CB 3.92Å; P300-D303 HydrophobicContact CB-CB 4.11Å; P300-D303 WeakPolarHBondContact O-CB 3.39Å; P300-D303 PolarHBondContact O-N 2.96Å | ||
| 301 | Y | 92.9 | Very high | 80.5 | Confident | 31 Ų | 31 | 79 Ų | 79 | 12% | 0.122 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -64.2 | -40.8 | 177.1 | -64.6 | -79.3 | 0 | 0 | 0 | 112.2 | V281 I299 D303 T307 W308 K311 L314 | V281-Y301 HydrophobicContact CG1-CD1 3.92Å; V281-Y301 HydrophobicContact CG1-CE1 3.58Å; V281-Y301 HydrophobicContact CG2-CD1 4.3Å; I299-Y301 HydrophobicContact CB-CD2 3.9Å; I299-Y301 HydrophobicContact CB-CE2 3.53Å; I299-Y301 HydrophobicContact CD1-CE2 4.02Å; I299-Y301 HydrophobicContact CG1-CE2 4.41Å; I299-Y301 HydrophobicContact CG2-CD2 3.76Å; I299-Y301 HydrophobicContact CG2-CE1 4.2Å; I299-Y301 HydrophobicContact CG2-CE2 3.38Å; I299-Y301 HydrophobicContact CG2-CG 4.33Å; I299-Y301 WeakPolarHBondContact O-CD2 3.19Å; I299-Y301 PolarHBondContact O-N 3.13Å; Y301-D303 VanDerWaalsContact C-N 3.26Å; Y301-D303 PolarHBondContact O-N 2.95Å; Y301-T307 WeakPolarHBondContact CD1-O 3.29Å; Y301-T307 CarbonylContact O-C 3.51Å; Y301-T307 VanDerWaalsContact O-C 3.28Å; Y301-T307 WeakPolarHBondContact O-CB 2.84Å; Y301-T307 PolarHBondContact O-OG1 2.53Å; Y301-W308 PolarHBondContact O-N 2.73Å; Y301-K311 HydrophobicContact CD1-CB 3.95Å; Y301-K311 HydrophobicContact CD1-CG 4Å; Y301-K311 HydrophobicContact CD2-CG 4.07Å; Y301-K311 HydrophobicContact CE1-CB 4.4Å; Y301-K311 HydrophobicContact CE1-CG 4.27Å; Y301-K311 HydrophobicContact CE2-CG 4.33Å; Y301-K311 HydrophobicContact CG-CB 4.17Å; Y301-K311 HydrophobicContact CG-CG 3.87Å; Y301-L314 HydrophobicContact CE1-CB 4.31Å; Y301-L314 WeakPolarHBondContact CE1-O 3.42Å; Y301-L314 PolarHBondContact OH-O 3.02Å |
| 302 | R | 92 | Very high | 81.6 | Confident | 168 Ų | 168 | 77.3 Ų | 77.3 | 63% | 0.634 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -73.7 | -7.9 | -179.8 | -75.2 | -176.6 | 173.8 | -169.4 | -3.5 | 114.6 | E170 S304 W308 | E170-R302 IonicContact OE2-CZ 3.42Å; E170-R302 VanDerWaalsContact OE2-CZ 3.28Å; E170-R302 IonicContact OE2-NE 3.64Å; E170-R302 PolarHBondContact OE2-NE 3.43Å; E170-R302 IonicContact OE2-NH2 3.41Å; E170-R302 PolarHBondContact OE2-NH2 2.88Å; R302-S304 PolarHBondContact O-N 2.64Å; R302-W308 HydrophobicContact CG-CD2 4.2Å; R302-W308 HydrophobicContact CG-CG 4.12Å |
| 303 | D | 92 | Very high | 83.1 | Confident | 61 Ų | 61 | 67.3 Ų | 67.3 | 33% | 0.326 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -63.1 | -20.9 | 176.1 | -94.8 | 33.3 | 0 | 0 | 0 | 112.3 | K273 T277 K280 P300 Y301 | K273-D303 WeakPolarHBondContact CE-O 3.37Å; K273-D303 PolarHBondContact NZ-O 3.06Å; T277-D303 HydrophobicContact CG2-CB 3.28Å; K280-D303 IonicContact NZ-OD2 3.55Å; K280-D303 PolarHBondContact NZ-OD2 2.83Å; P300-D303 HydrophobicContact CB-CB 4.11Å; P300-D303 WeakPolarHBondContact O-CB 3.39Å; P300-D303 PolarHBondContact O-N 2.96Å; Y301-D303 VanDerWaalsContact C-N 3.26Å; Y301-D303 PolarHBondContact O-N 2.95Å |
| 304 | S | 93.9 | Very high | 84.6 | Confident | 2 Ų | 2 | 57.9 Ų | 57.9 | 1% | 0.014 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -147.9 | 152.2 | 173.4 | 81.4 | 0 | 0 | 0 | 0 | 113.6 | E152 R302 L306 T307 W308 | E152-S304 WeakPolarHBondContact OE2-CA 3.37Å; E152-S304 VanDerWaalsContact OE2-CB 3.3Å; E152-S304 WeakPolarHBondContact OE2-CB 3.42Å; R302-S304 PolarHBondContact O-N 2.64Å; S304-L306 VanDerWaalsContact C-N 3.32Å; S304-L306 PolarHBondContact O-N 3Å; S304-T307 PolarHBondContact N-OG1 3.4Å; S304-T307 PolarHBondContact O-N 2.68Å; S304-T307 PolarHBondContact O-OG1 3.42Å; S304-T307 PolarHBondContact OG-N 3.27Å; S304-T307 PolarHBondContact OG-OG1 3.14Å; S304-W308 WeakPolarHBondContact O-CB 3.22Å; S304-W308 PolarHBondContact O-N 2.74Å |
| 305 | V | 93.1 | Very high | 85.9 | Confident | 23 Ų | 23 | 49.7 Ų | 49.7 | 14% | 0.139 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.9 | -43.7 | 179.2 | 163.9 | 0 | 0 | 0 | 0 | 111.9 | I149 E152 V154 V168 W308 L309 | I149-V305 HydrophobicContact CD1-CG1 4.36Å; I149-V305 HydrophobicContact CG2-CB 4.33Å; I149-V305 HydrophobicContact CG2-CG1 3.8Å; E152-V305 HydrophobicContact CB-CG2 4.32Å; E152-V305 PolarHBondContact OE2-N 3.11Å; E152-V305 VanDerWaalsContact OE2-N 3.11Å; V154-V305 HydrophobicContact CG2-CG1 3.65Å; V168-V305 HydrophobicContact CG2-CG1 4Å; V305-W308 PolarHBondContact O-N 2.93Å; V305-L309 HydrophobicContact CG1-CD1 4Å; V305-L309 PolarHBondContact O-N 3.4Å |
| 306 | L | 93.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.9 | -49.7 | 177.6 | 177.8 | 69.5 | 0 | 0 | 0 | 111.8 | I149 H218 L249 L275 L278 S304 W308 L310 | I149-L306 HydrophobicContact CD1-CD1 4.09Å; H218-L306 HydrophobicContact CB-CD1 4.15Å; L249-L306 HydrophobicContact CD2-CD1 3.83Å; L249-L306 HydrophobicContact CD2-CD2 3.73Å; L249-L306 HydrophobicContact CD2-CG 4.39Å; L275-L306 HydrophobicContact CD2-CD2 4.29Å; L278-L306 HydrophobicContact CD2-CD2 4.26Å; S304-L306 VanDerWaalsContact C-N 3.32Å; S304-L306 PolarHBondContact O-N 3Å; L306-W308 VanDerWaalsContact C-N 3.3Å; L306-W308 PolarHBondContact O-N 3.15Å; L306-L310 HydrophobicContact CD1-CD1 3.73Å; L306-L310 HydrophobicContact CD1-CG 4.33Å; L306-L310 HydrophobicContact CG-CD1 4.08Å; L306-L310 WeakPolarHBondContact O-CB 3.39Å; L306-L310 WeakPolarHBondContact O-CG 3.13Å; L306-L310 PolarHBondContact O-N 2.97Å |
| 307 | T | 93.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -72.7 | -23.5 | -178.6 | 47.2 | 0 | 0 | 0 | 0 | 113.4 | T277 L278 V281 Y301 S304 K311 | T277-T307 HydrophobicContact CG2-CG2 3.88Å; T277-T307 VanDerWaalsContact CG2-OG1 3.26Å; T277-T307 WeakPolarHBondContact CG2-OG1 3.39Å; L278-T307 VanDerWaalsContact CA-CG2 3.44Å; L278-T307 HydrophobicContact CB-CG2 3.87Å; L278-T307 HydrophobicContact CD1-CG2 3.91Å; V281-T307 HydrophobicContact CG2-CG2 4.08Å; Y301-T307 WeakPolarHBondContact CD1-O 3.29Å; Y301-T307 CarbonylContact O-C 3.51Å; Y301-T307 VanDerWaalsContact O-C 3.28Å; Y301-T307 WeakPolarHBondContact O-CB 2.84Å; Y301-T307 PolarHBondContact O-OG1 2.53Å; S304-T307 PolarHBondContact N-OG1 3.4Å; S304-T307 PolarHBondContact O-N 2.68Å; S304-T307 PolarHBondContact O-OG1 3.42Å; S304-T307 PolarHBondContact OG-N 3.27Å; S304-T307 PolarHBondContact OG-OG1 3.14Å; T307-K311 PolarHBondContact O-N 3.26Å |
| 308 | W | 93.9 | Very high | 90.7 | Very high | 46 Ų | 46 | 36.3 Ų | 36.3 | 17% | 0.174 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -72.6 | -48.8 | 174.5 | -164.9 | 16.9 | 0 | 0 | 0 | 110.2 | V168 E170 P176 Y301 R302 S304 V305 L306 L310 K311 | V168-W308 HydrophobicContact CB-CE3 3.87Å; V168-W308 HydrophobicContact CB-CZ3 3.72Å; V168-W308 HydrophobicContact CG1-CD2 3.86Å; V168-W308 HydrophobicContact CG1-CE3 3.41Å; V168-W308 VanDerWaalsContact CG1-CE3 3.41Å; V168-W308 HydrophobicContact CG1-CH2 4.19Å; V168-W308 HydrophobicContact CG1-CZ3 3.59Å; V168-W308 WeakPolarHBondContact O-CH2 3.4Å; V168-W308 WeakPolarHBondContact O-CZ3 3.27Å; E170-W308 HydrophobicContact CB-CZ2 3.71Å; E170-W308 PolarHBondContact OE2-NE1 3.05Å; P176-W308 HydrophobicContact CB-CG 4.23Å; P176-W308 WeakPolarHBondContact CB-O 3.32Å; P176-W308 VanDerWaalsContact CG-CD1 3.44Å; P176-W308 HydrophobicContact CG-CG 4.34Å; P176-W308 VanDerWaalsContact CG-O 3.28Å; P176-W308 WeakPolarHBondContact CG-O 3.18Å; Y301-W308 PolarHBondContact O-N 2.73Å; R302-W308 HydrophobicContact CG-CD2 4.2Å; R302-W308 HydrophobicContact CG-CG 4.12Å; S304-W308 WeakPolarHBondContact O-CB 3.22Å; S304-W308 PolarHBondContact O-N 2.74Å; V305-W308 PolarHBondContact O-N 2.93Å; L306-W308 VanDerWaalsContact C-N 3.3Å; L306-W308 PolarHBondContact O-N 3.15Å; W308-L310 VanDerWaalsContact C-N 3.31Å; W308-L310 PolarHBondContact O-N 2.66Å; W308-K311 WeakPolarHBondContact O-CB 3.48Å; W308-K311 PolarHBondContact O-N 2.97Å; W308-K311 VanDerWaalsContact O-N 3.16Å |
| 309 | L | 92 | Very high | 91.2 | Very high | 19 Ų | 19 | 32.1 Ų | 32.1 | 10% | 0.099 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.8 | -32.3 | 175.1 | -69 | 169.4 | 0 | 0 | 0 | 113 | M147 I149 V154 V168 V178 V305 K311 | M147-L309 HydrophobicContact CE-CD1 4.08Å; M147-L309 HydrophobicContact SD-CD1 4.31Å; I149-L309 HydrophobicContact CD1-CD1 3.87Å; V154-L309 HydrophobicContact CG2-CD1 4.49Å; V168-L309 HydrophobicContact CG1-CD2 3.82Å; V168-L309 HydrophobicContact CG1-CG 4.17Å; V168-L309 HydrophobicContact CG2-CD1 4.12Å; V168-L309 HydrophobicContact CG2-CD2 4.29Å; V168-L309 HydrophobicContact CG2-CG 4.29Å; V178-L309 HydrophobicContact CG2-CD1 4.02Å; V178-L309 HydrophobicContact CG2-CD2 3.71Å; V305-L309 HydrophobicContact CG1-CD1 4Å; V305-L309 PolarHBondContact O-N 3.4Å; L309-K311 VanDerWaalsContact C-N 3.34Å |
| 310 | L | 90.9 | Very high | 91.5 | Very high | 7 Ų | 7 | 30.9 Ų | 30.9 | 4% | 0.037 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | 11.7 | 175.4 | -62.1 | -179.2 | 0 | 0 | 0 | 114.4 | V247 L306 W308 E312 N313 L314 | V247-L310 HydrophobicContact CG2-CD2 4.27Å; L306-L310 HydrophobicContact CD1-CD1 3.73Å; L306-L310 HydrophobicContact CD1-CG 4.33Å; L306-L310 HydrophobicContact CG-CD1 4.08Å; L306-L310 WeakPolarHBondContact O-CB 3.39Å; L306-L310 WeakPolarHBondContact O-CG 3.13Å; L306-L310 PolarHBondContact O-N 2.97Å; W308-L310 VanDerWaalsContact C-N 3.31Å; W308-L310 PolarHBondContact O-N 2.66Å; L310-E312 VanDerWaalsContact C-N 3.33Å; L310-E312 PolarHBondContact O-N 2.83Å; L310-N313 HydrophobicContact CB-CB 4.43Å; L310-N313 HydrophobicContact CD2-CB 4.21Å; L310-N313 CarbonylContact O-C 3.59Å; L310-N313 PolarHBondContact O-N 2.91Å; L310-L314 HydrophobicContact CB-CD1 3.92Å; L310-L314 HydrophobicContact CB-CG 4.39Å; L310-L314 PolarHBondContact O-N 3.16Å; L310-L314 VanDerWaalsContact O-N 3.08Å |
| 311 | K | 90.9 | Very high | 91.7 | Very high | 76 Ų | 76 | 30.1 Ų | 30.1 | 33% | 0.33 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -45.3 | 179.1 | -179.5 | -169.8 | -179.1 | -162.9 | 0 | 112.7 | E170 P176 Y301 T307 W308 L309 N313 | E170-K311 IonicContact OE1-NZ 3.78Å; E170-K311 PolarHBondContact OE1-NZ 3.27Å; P176-K311 HydrophobicContact CG-CB 4.23Å; P176-K311 HydrophobicContact CG-CD 3.85Å; Y301-K311 HydrophobicContact CD1-CB 3.95Å; Y301-K311 HydrophobicContact CD1-CG 4Å; Y301-K311 HydrophobicContact CD2-CG 4.07Å; Y301-K311 HydrophobicContact CE1-CB 4.4Å; Y301-K311 HydrophobicContact CE1-CG 4.27Å; Y301-K311 HydrophobicContact CE2-CG 4.33Å; Y301-K311 HydrophobicContact CG-CB 4.17Å; Y301-K311 HydrophobicContact CG-CG 3.87Å; T307-K311 PolarHBondContact O-N 3.26Å; W308-K311 WeakPolarHBondContact O-CB 3.48Å; W308-K311 PolarHBondContact O-N 2.97Å; W308-K311 VanDerWaalsContact O-N 3.16Å; L309-K311 VanDerWaalsContact C-N 3.34Å; K311-N313 VanDerWaalsContact C-N 3.33Å |
| 312 | E | 87.2 | Confident | 91.9 | Very high | 45 Ų | 45 | 28.7 Ų | 28.7 | 21% | 0.21 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -35.5 | 177.4 | -53.4 | -170.7 | 111.6 | 0 | 0 | 112 | K243 L310 L314 G316 N317 | K243-E312 IonicContact NZ-OE2 3.36Å; K243-E312 PolarHBondContact NZ-OE2 2.93Å; L310-E312 VanDerWaalsContact C-N 3.33Å; L310-E312 PolarHBondContact O-N 2.83Å; E312-L314 VanDerWaalsContact C-N 3.31Å; E312-L314 PolarHBondContact O-N 3.14Å; E312-G316 CarbonylContact O-C 3.48Å; E312-G316 WeakPolarHBondContact O-CA 3.35Å; E312-G316 PolarHBondContact O-N 3.21Å; E312-N317 PolarHBondContact O-N 3.42Å |
| 313 | N | 89.9 | Confident | 92.2 | Very high | 4 Ų | 4 | 20.8 Ų | 20.8 | 2% | 0.021 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -11.5 | -175.9 | -71.6 | -33.2 | 0 | 0 | 0 | 114 | C92 S245 L310 K311 S318 T320 | C92-N313 HydrophobicContact CB-CB 3.79Å; C92-N313 VanDerWaalsContact CB-CG 3.46Å; C92-N313 WeakPolarHBondContact CB-OD1 3.27Å; S245-N313 WeakPolarHBondContact CB-ND2 3.47Å; S245-N313 PolarHBondContact OG-ND2 2.77Å; S245-N313 VanDerWaalsContact OG-ND2 3.15Å; L310-N313 HydrophobicContact CB-CB 4.43Å; L310-N313 HydrophobicContact CD2-CB 4.21Å; L310-N313 CarbonylContact O-C 3.59Å; L310-N313 PolarHBondContact O-N 2.91Å; K311-N313 VanDerWaalsContact C-N 3.33Å; N313-S318 VanDerWaalsContact OD1-CB 3.23Å; N313-S318 WeakPolarHBondContact OD1-CB 3.25Å; N313-S318 PolarHBondContact OD1-OG 3.12Å; N313-T320 WeakPolarHBondContact O-CG2 3.21Å; N313-T320 PolarHBondContact O-OG1 3.35Å |
| 314 | L | 88.4 | Confident | 92.5 | Very high | 2 Ų | 2 | 17.9 Ų | 17.9 | 1% | 0.01 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127 | 83.1 | -175.7 | -64.8 | 170.4 | 0 | 0 | 0 | 110.4 | F94 L278 L285 Y301 L310 E312 | F94-L314 HydrophobicContact CE1-CD2 4.1Å; F94-L314 HydrophobicContact CZ-CD2 4.36Å; L278-L314 HydrophobicContact CD1-CD1 3.39Å; L285-L314 HydrophobicContact CD1-CB 4.23Å; L285-L314 WeakPolarHBondContact CD1-O 3.46Å; Y301-L314 HydrophobicContact CE1-CB 4.31Å; Y301-L314 WeakPolarHBondContact CE1-O 3.42Å; Y301-L314 PolarHBondContact OH-O 3.02Å; L310-L314 HydrophobicContact CB-CD1 3.92Å; L310-L314 HydrophobicContact CB-CG 4.39Å; L310-L314 PolarHBondContact O-N 3.16Å; L310-L314 VanDerWaalsContact O-N 3.08Å; E312-L314 VanDerWaalsContact C-N 3.31Å; E312-L314 PolarHBondContact O-N 3.14Å |
| 315 | G | 83 | Confident | 92.7 | Very high | 23 Ų | 23 | 17.9 Ų | 17.9 | 24% | 0.237 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 93.8 | -11.2 | -178 | 0 | 0 | 0 | 0 | 0 | 115 | R350 C351 | G315-R350 WeakPolarHBondContact CA-O 3.19Å; G315-C351 PolarHBondContact N-SG 3.48Å; G315-C351 VanDerWaalsContact N-SG 3.36Å |
| 316 | G | 87.4 | Confident | 93 | Very high | 23 Ų | 23 | 16.9 Ų | 16.9 | 24% | 0.237 | 9% | 0.088 | C | C | . | . | S | Bend | trans | -89.7 | -150 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | E312 S318 N352 | E312-G316 CarbonylContact O-C 3.48Å; E312-G316 WeakPolarHBondContact O-CA 3.35Å; E312-G316 PolarHBondContact O-N 3.21Å; G316-S318 PolarHBondContact O-N 3.23Å; G316-N352 CarbonylContact O-C 3.56Å; G316-N352 PolarHBondContact O-N 2.74Å |
| 317 | N | 89.8 | Confident | 93.1 | Very high | 37 Ų | 37 | 16.9 Ų | 16.9 | 20% | 0.198 | 9% | 0.088 | C | C | . | . | S | Bend | trans | -82.5 | 83.5 | 177.1 | 178.6 | 21.1 | 0 | 0 | 0 | 111 | N90 E312 A353 I354 N356 | N90-N317 VanDerWaalsContact CB-O 3.31Å; N90-N317 WeakPolarHBondContact CB-O 3.15Å; N90-N317 PolarHBondContact ND2-O 2.93Å; E312-N317 PolarHBondContact O-N 3.42Å; N317-A353 WeakPolarHBondContact OD1-CA 3.4Å; N317-I354 PolarHBondContact OD1-N 3.26Å; N317-I354 PolarHBondContact OD1-O 2.99Å; N317-N356 PolarHBondContact ND2-OD1 3.1Å |
| 318 | S | 92.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.088 | C | C | . | . | S | Bend | trans | -162.4 | 153.1 | 172.6 | -162.3 | 0 | 0 | 0 | 0 | 112.9 | N90 V91 N313 G316 C351 | N90-S318 CarbonylContact O-C 3.6Å; N90-S318 WeakPolarHBondContact O-CA 3.3Å; V91-S318 PolarHBondContact N-OG 3.36Å; N313-S318 VanDerWaalsContact OD1-CB 3.23Å; N313-S318 WeakPolarHBondContact OD1-CB 3.25Å; N313-S318 PolarHBondContact OD1-OG 3.12Å; G316-S318 PolarHBondContact O-N 3.23Å; S318-C351 WeakPolarHBondContact O-CB 3.29Å |
| 319 | R | 94.9 | Very high | 93.2 | Very high | 60 Ų | 60 | 14.7 Ų | 14.7 | 23% | 0.226 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 108 | 166.3 | -66.7 | -68.7 | -173.6 | 133.4 | 3.3 | 108.3 | M81 H84 Y89 N90 V91 C92 A353 | M81-R319 HydrophobicContact SD-CB 4.25Å; H84-R319 HydrophobicContact CB-CB 4.41Å; H84-R319 HydrophobicContact CB-CG 4.13Å; H84-R319 VanDerWaalsContact NE2-CZ 3.34Å; H84-R319 PolarHBondContact NE2-NH1 2.94Å; Y89-R319 HydrophobicContact CG-CG 4.13Å; N90-R319 PolarHBondContact O-N 2.62Å; V91-R319 CarbonylContact C-O 3.16Å; V91-R319 WeakPolarHBondContact CA-O 3.4Å; V91-R319 HydrophobicContact CG2-CB 4.36Å; C92-R319 PolarHBondContact N-O 3.12Å; R319-A353 HydrophobicContact CG-CB 3.89Å |
| 320 | T | 96.2 | Very high | 93.3 | Very high | 6 Ų | 6 | 15.5 Ų | 15.5 | 4% | 0.037 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 133.3 | -166.3 | -48.7 | 0 | 0 | 0 | 0 | 112.3 | V6 K7 C92 F94 N313 | V6-T320 WeakPolarHBondContact CA-O 3.4Å; V6-T320 HydrophobicContact CG1-CG2 4.13Å; V6-T320 HydrophobicContact CG2-CG2 4.47Å; K7-T320 PolarHBondContact N-O 3.3Å; C92-T320 HydrophobicContact CB-CG2 4.1Å; C92-T320 CarbonylContact O-C 3.49Å; C92-T320 WeakPolarHBondContact O-CA 3.14Å; F94-T320 HydrophobicContact CD1-CG2 4.07Å; F94-T320 HydrophobicContact CE1-CG2 3.75Å; N313-T320 WeakPolarHBondContact O-CG2 3.21Å; N313-T320 PolarHBondContact O-OG1 3.35Å |
| 321 | A | 97.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 135.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | K7 I77 M81 C92 I93 F94 | K7-A321 HydrophobicContact CB-CB 4.36Å; K7-A321 CarbonylContact O-C 3.51Å; K7-A321 WeakPolarHBondContact O-CA 3.39Å; I77-A321 HydrophobicContact CG2-CB 3.79Å; M81-A321 HydrophobicContact CE-CB 4.18Å; M81-A321 HydrophobicContact SD-CB 4.39Å; C92-A321 PolarHBondContact O-N 3.44Å; I93-A321 WeakPolarHBondContact CA-O 3.4Å; I93-A321 HydrophobicContact CG1-CB 4.48Å; F94-A321 WeakPolarHBondContact CD1-O 3.48Å; F94-A321 PolarHBondContact N-O 3.37Å |
| 322 | M | 97.4 | Very high | 93.4 | Very high | 1 Ų | 1 | 16.9 Ų | 16.9 | 1% | 0.005 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 135.3 | 169.9 | 178.6 | -176.9 | 174.2 | 0 | 0 | 109.6 | K7 V8 A9 F94 Y96 A324 Y342 A343 A346 | K7-M322 PolarHBondContact O-N 3.42Å; V8-M322 HydrophobicContact CG2-CB 4.36Å; A9-M322 PolarHBondContact N-O 3.15Å; F94-M322 HydrophobicContact CD2-CB 4.48Å; F94-M322 HydrophobicContact CD2-CG 4.13Å; F94-M322 HydrophobicContact CE1-CB 3.95Å; F94-M322 HydrophobicContact CE1-CG 4.49Å; F94-M322 HydrophobicContact CE2-CB 3.89Å; F94-M322 HydrophobicContact CE2-CG 3.51Å; F94-M322 HydrophobicContact CE2-SD 3.97Å; F94-M322 HydrophobicContact CZ-CB 3.6Å; F94-M322 HydrophobicContact CZ-CG 3.73Å; F94-M322 HydrophobicContact CZ-SD 4.11Å; Y96-M322 HydrophobicContact CD1-CE 3.6Å; Y96-M322 HydrophobicContact CG-CE 3.77Å; M322-A324 HydrophobicContact CE-CB 3.91Å; M322-Y342 HydrophobicContact CE-CD1 3.73Å; M322-Y342 HydrophobicContact CE-CE1 4.3Å; M322-Y342 HydrophobicContact SD-CD1 4.41Å; M322-A343 HydrophobicContact CE-CB 4.03Å; M322-A343 HydrophobicContact SD-CB 4.33Å; M322-A346 HydrophobicContact SD-CB 3.52Å; M322-A346 VanDerWaalsContact SD-CB 3.52Å |
| 323 | I | 98.3 | Very high | 93.7 | Very high | 1 Ų | 1 | 15.1 Ų | 15.1 | 1% | 0.005 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 109.4 | 169.3 | -48.4 | -179.6 | 0 | 0 | 0 | 109.5 | A9 R11 V73 I77 I93 F94 A95 Y96 T106 I118 | A9-I323 HydrophobicContact CB-CG1 4.4Å; A9-I323 HydrophobicContact CB-CG2 4.41Å; A9-I323 WeakPolarHBondContact O-CA 3.43Å; R11-I323 HydrophobicContact CB-CG2 4.46Å; V73-I323 HydrophobicContact CG1-CD1 4.16Å; I77-I323 HydrophobicContact CG2-CD1 4.42Å; I93-I323 HydrophobicContact CG2-CD1 4.13Å; I93-I323 HydrophobicContact CG2-CG1 4.45Å; F94-I323 PolarHBondContact O-N 2.93Å; A95-I323 WeakPolarHBondContact CA-O 3.48Å; Y96-I323 PolarHBondContact N-O 3.31Å; T106-I323 HydrophobicContact CG2-CD1 4.04Å; T106-I323 HydrophobicContact CG2-CG2 4.19Å; I118-I323 HydrophobicContact CD1-CD1 3.31Å |
| 324 | A | 98.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 109.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | A9 V10 R11 Y96 M322 T339 A343 | A9-A324 PolarHBondContact O-N 3.17Å; V10-A324 CarbonylContact C-O 3.47Å; V10-A324 WeakPolarHBondContact CA-O 3.26Å; V10-A324 HydrophobicContact CB-CB 4.47Å; V10-A324 HydrophobicContact CG1-CB 3.89Å; R11-A324 PolarHBondContact N-O 3.42Å; Y96-A324 CarbonylContact O-C 3.56Å; Y96-A324 WeakPolarHBondContact O-CA 3.49Å; M322-A324 HydrophobicContact CE-CB 3.91Å; A324-T339 HydrophobicContact CB-CG2 3.73Å; A324-A343 HydrophobicContact CB-CB 3.95Å |
| 325 | A | 97.9 | Very high | 93.9 | Very high | 3 Ų | 3 | 21.4 Ų | 21.4 | 3% | 0.025 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 132.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | R11 Y96 A101 K103 | R11-A325 CarbonylContact O-C 3.59Å; Y96-A325 PolarHBondContact O-N 2.88Å; A101-A325 HydrophobicContact CB-CB 3.83Å; A101-A325 WeakPolarHBondContact CB-O 3.44Å; K103-A325 HydrophobicContact CG-CB 4.03Å |
| 326 | L | 98.1 | Very high | 94.6 | Very high | 1 Ų | 1 | 20.4 Ų | 20.4 | 1% | 0.005 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 134.6 | -170.9 | -52.7 | -179 | 0 | 0 | 0 | 111.2 | V10 R11 V12 R13 I28 M30 T35 T336 T339 L340 | V10-L326 HydrophobicContact CB-CD1 4.11Å; V10-L326 HydrophobicContact CG2-CD1 4.37Å; R11-L326 PolarHBondContact O-N 2.8Å; V12-L326 HydrophobicContact CB-CB 4.26Å; V12-L326 HydrophobicContact CG2-CB 4.47Å; R13-L326 PolarHBondContact N-O 2.97Å; I28-L326 HydrophobicContact CD1-CD1 4.47Å; M30-L326 HydrophobicContact CE-CD1 4Å; T35-L326 HydrophobicContact CG2-CD1 4.35Å; L326-T336 HydrophobicContact CB-CG2 4.02Å; L326-T336 HydrophobicContact CD1-CG2 4.48Å; L326-T336 HydrophobicContact CD2-CG2 4.04Å; L326-T336 HydrophobicContact CG-CG2 4.4Å; L326-T339 HydrophobicContact CD2-CG2 3.56Å; L326-L340 HydrophobicContact CD1-CD2 3.88Å; L326-L340 HydrophobicContact CD1-CG 4.34Å; L326-L340 HydrophobicContact CD2-CD2 4.37Å; L326-L340 HydrophobicContact CD2-CG 4.22Å |
| 327 | S | 96.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 9% | 0.094 | C | C | . | . | trans | -76.3 | 137.2 | 159.7 | 173.1 | 0 | 0 | 0 | 0 | 109.4 | E19 A329 N332 T336 | E19-S327 PolarHBondContact OE1-OG 3.02Å; S327-A329 PolarHBondContact O-N 2.89Å; S327-A329 WeakPolarHBondContact OG-CB 3.48Å; S327-A329 PolarHBondContact OG-N 2.61Å; S327-A329 VanDerWaalsContact OG-N 3.13Å; S327-N332 WeakPolarHBondContact CB-ND2 3.45Å; S327-N332 PolarHBondContact OG-ND2 3.21Å; S327-T336 PolarHBondContact O-OG1 3.46Å; S327-T336 VanDerWaalsContact O-OG1 3.04Å | ||
| 328 | P | 96 | Very high | 95.2 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.097 | C | C | . | . | trans | -69.2 | -18.9 | 172.2 | 30.8 | -38 | 0 | 0 | 0 | 113.3 | V12 R13 F15 S26 V27 H59 | V12-P328 HydrophobicContact CG2-CB 3.71Å; V12-P328 HydrophobicContact CG2-CG 4.4Å; R13-P328 WeakPolarHBondContact O-CD 3.33Å; R13-P328 WeakPolarHBondContact O-CG 3.41Å; F15-P328 HydrophobicContact CD1-CG 3.7Å; F15-P328 HydrophobicContact CE1-CB 4.21Å; F15-P328 HydrophobicContact CE1-CG 3.81Å; F15-P328 HydrophobicContact CG-CG 4.4Å; S26-P328 CarbonylContact C-O 3.48Å; S26-P328 WeakPolarHBondContact CA-O 3.33Å; V27-P328 WeakPolarHBondContact CG2-O 3.38Å; V27-P328 PolarHBondContact N-O 2.91Å; H59-P328 WeakPolarHBondContact CE1-CB 3.44Å; H59-P328 VanDerWaalsContact CE1-CG 3.46Å; H59-P328 WeakPolarHBondContact CE1-CG 3.46Å; H59-P328 WeakPolarHBondContact ND1-CB 3.3Å; H59-P328 WeakPolarHBondContact ND1-CG 3.18Å | ||
| 329 | A | 95.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.097 | C | C | . | . | B | Isolated β-bridge | trans | -83.9 | 140.6 | -157.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | F15 E19 A24 K25 S327 I331 N332 | F15-A329 HydrophobicContact CD1-CB 4.33Å; F15-A329 HydrophobicContact CE1-CB 4.03Å; E19-A329 HydrophobicContact CB-CB 4.32Å; E19-A329 HydrophobicContact CG-CB 3.72Å; A24-A329 HydrophobicContact CB-CB 3.95Å; K25-A329 CarbonylContact O-C 3.52Å; K25-A329 WeakPolarHBondContact O-CA 3.4Å; S327-A329 PolarHBondContact O-N 2.89Å; S327-A329 WeakPolarHBondContact OG-CB 3.48Å; S327-A329 PolarHBondContact OG-N 2.61Å; S327-A329 VanDerWaalsContact OG-N 3.13Å; A329-I331 VanDerWaalsContact C-N 3.27Å; A329-I331 HydrophobicContact CB-CG1 3.96Å; A329-I331 PolarHBondContact O-N 3.03Å; A329-N332 PolarHBondContact O-N 3.43Å |
| 330 | D | 93.8 | Very high | 95.4 | Very high | 36 Ų | 36 | 16.6 Ų | 16.6 | 19% | 0.193 | 9% | 0.087 | C | C | . | . | G | 310 helix | trans | -51.8 | -39.2 | 173.6 | 53.5 | 0.9 | 0 | 0 | 0 | 114.1 | A24 K25 V27 P40 N332 Y333 | A24-D330 WeakPolarHBondContact CA-OD1 3.44Å; A24-D330 WeakPolarHBondContact CB-OD1 3.48Å; K25-D330 HydrophobicContact CB-CB 4.49Å; K25-D330 WeakPolarHBondContact CB-OD2 3.45Å; K25-D330 VanDerWaalsContact N-CG 3.25Å; K25-D330 PolarHBondContact N-OD1 3.49Å; K25-D330 VanDerWaalsContact N-OD1 3.12Å; K25-D330 PolarHBondContact N-OD2 2.91Å; K25-D330 VanDerWaalsContact N-OD2 3.15Å; K25-D330 PolarHBondContact O-N 3.31Å; V27-D330 HydrophobicContact CG1-CB 3.65Å; P40-D330 HydrophobicContact CB-CB 3.92Å; P40-D330 HydrophobicContact CG-CB 3.92Å; D330-N332 PolarHBondContact O-N 3.32Å; D330-N332 VanDerWaalsContact O-N 3.15Å; D330-Y333 WeakPolarHBondContact O-CB 3.49Å; D330-Y333 PolarHBondContact O-N 3.34Å; D330-Y333 VanDerWaalsContact O-N 3.16Å |
| 331 | I | 90.8 | Very high | 95.4 | Very high | 81 Ų | 81 | 22.2 Ų | 22.2 | 42% | 0.415 | 11% | 0.107 | S | C | . | . | G | 310 helix | trans | -60.2 | -21 | 175.5 | 64 | 173.3 | 0 | 0 | 0 | 113.8 | E19 A329 | E19-I331 HydrophobicContact CG-CD1 4.02Å; A329-I331 VanDerWaalsContact C-N 3.27Å; A329-I331 HydrophobicContact CB-CG1 3.96Å; A329-I331 PolarHBondContact O-N 3.03Å |
| 332 | N | 92.3 | Very high | 95.2 | Very high | 31 Ų | 31 | 22.8 Ų | 22.8 | 17% | 0.166 | 11% | 0.109 | C | C | . | . | G | 310 helix | trans | -104.7 | 7.5 | -179 | -69.3 | -53.2 | 0 | 0 | 0 | 113.4 | E19 Q98 S327 A329 D330 E334 E335 T336 | E19-N332 PolarHBondContact OE1-ND2 2.8Å; E19-N332 VanDerWaalsContact OE1-ND2 3.12Å; Q98-N332 PolarHBondContact NE2-OD1 2.82Å; S327-N332 WeakPolarHBondContact CB-ND2 3.45Å; S327-N332 PolarHBondContact OG-ND2 3.21Å; A329-N332 PolarHBondContact O-N 3.43Å; D330-N332 PolarHBondContact O-N 3.32Å; D330-N332 VanDerWaalsContact O-N 3.15Å; N332-E334 VanDerWaalsContact C-N 3.3Å; N332-E334 PolarHBondContact O-N 3.06Å; N332-E335 PolarHBondContact O-N 2.95Å; N332-T336 PolarHBondContact O-N 2.77Å; N332-T336 PolarHBondContact O-OG1 3.17Å |
| 333 | Y | 94 | Very high | 95.1 | Very high | 8 Ų | 8 | 22.7 Ų | 22.7 | 3% | 0.031 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -45.7 | -45.9 | -170.7 | 174 | -97.5 | 0 | 0 | 0 | 114.9 | V27 I37 S38 N39 P40 K48 D330 L337 | V27-Y333 HydrophobicContact CG2-CD2 4.47Å; I37-Y333 HydrophobicContact CD1-CD2 3.59Å; I37-Y333 HydrophobicContact CD1-CE2 3.69Å; I37-Y333 HydrophobicContact CD1-CG 4.48Å; I37-Y333 HydrophobicContact CG1-CD2 3.83Å; I37-Y333 HydrophobicContact CG1-CE2 3.72Å; I37-Y333 HydrophobicContact CG2-CE2 4.42Å; S38-Y333 VanDerWaalsContact O-CD2 3.26Å; S38-Y333 WeakPolarHBondContact O-CD2 3.49Å; S38-Y333 WeakPolarHBondContact O-CE2 3.38Å; N39-Y333 VanDerWaalsContact CA-CE2 3.49Å; N39-Y333 HydrophobicContact CB-CE1 4.16Å; N39-Y333 HydrophobicContact CB-CE2 3.97Å; P40-Y333 HydrophobicContact CG-CG 4.48Å; K48-Y333 PolarHBondContact NZ-OH 2.7Å; D330-Y333 WeakPolarHBondContact O-CB 3.49Å; D330-Y333 PolarHBondContact O-N 3.34Å; D330-Y333 VanDerWaalsContact O-N 3.16Å; Y333-L337 HydrophobicContact CE1-CD2 3.93Å; Y333-L337 WeakPolarHBondContact O-CB 3.32Å; Y333-L337 PolarHBondContact O-N 3.39Å |
| 334 | E | 91.8 | Very high | 95 | Very high | 108 Ų | 108 | 25.5 Ų | 25.5 | 51% | 0.505 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -69.2 | -38.7 | -176.7 | -61.2 | -61 | 161.7 | 0 | 0 | 112.8 | N332 L337 S338 | N332-E334 VanDerWaalsContact C-N 3.3Å; N332-E334 PolarHBondContact O-N 3.06Å; E334-L337 PolarHBondContact O-N 3.49Å; E334-S338 VanDerWaalsContact O-CB 3.26Å; E334-S338 WeakPolarHBondContact O-CB 3.09Å; E334-S338 PolarHBondContact O-N 3.4Å |
| 335 | E | 91.9 | Very high | 94.7 | Very high | 31 Ų | 31 | 29.2 Ų | 29.2 | 15% | 0.145 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -77.1 | -36.9 | 179.3 | -68.3 | -62.4 | 171.6 | 0 | 0 | 111.6 | Q98 E253 N332 S338 T339 | Q98-E335 HydrophobicContact CB-CB 4.47Å; E253-E335 HydrophobicContact CB-CG 4.36Å; N332-E335 PolarHBondContact O-N 2.95Å; E335-S338 WeakPolarHBondContact O-CB 3.3Å; E335-S338 PolarHBondContact O-N 2.89Å; E335-T339 WeakPolarHBondContact O-CB 3.44Å; E335-T339 PolarHBondContact O-N 2.76Å; E335-T339 PolarHBondContact O-OG1 3.07Å |
| 336 | T | 95.8 | Very high | 94.4 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.006 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63.6 | -40.8 | 169.8 | -59.7 | 0 | 0 | 0 | 0 | 111 | I28 I37 L326 S327 N332 T339 L340 | I28-T336 HydrophobicContact CD1-CG2 3.68Å; I28-T336 HydrophobicContact CG1-CG2 4.02Å; I37-T336 HydrophobicContact CD1-CG2 3.86Å; L326-T336 HydrophobicContact CB-CG2 4.02Å; L326-T336 HydrophobicContact CD1-CG2 4.48Å; L326-T336 HydrophobicContact CD2-CG2 4.04Å; L326-T336 HydrophobicContact CG-CG2 4.4Å; S327-T336 PolarHBondContact O-OG1 3.46Å; S327-T336 VanDerWaalsContact O-OG1 3.04Å; N332-T336 PolarHBondContact O-N 2.77Å; N332-T336 PolarHBondContact O-OG1 3.17Å; T336-T339 PolarHBondContact O-N 2.87Å; T336-L340 HydrophobicContact CG2-CD1 4.29Å; T336-L340 WeakPolarHBondContact O-CG 3.49Å; T336-L340 PolarHBondContact O-N 2.81Å |
| 337 | L | 95.6 | Very high | 94.1 | Very high | 2 Ų | 2 | 31.7 Ų | 31.7 | 1% | 0.01 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -66.9 | -39 | 173.9 | 178.7 | 62.7 | 0 | 0 | 0 | 112.6 | I37 K48 F50 Y333 E334 T339 R341 | I37-L337 HydrophobicContact CD1-CB 4.18Å; I37-L337 HydrophobicContact CG2-CD1 4.05Å; K48-L337 HydrophobicContact CD-CD1 3.91Å; K48-L337 HydrophobicContact CD-CD2 4.38Å; F50-L337 HydrophobicContact CE2-CD1 4.04Å; F50-L337 HydrophobicContact CZ-CD1 3.84Å; Y333-L337 HydrophobicContact CE1-CD2 3.93Å; Y333-L337 WeakPolarHBondContact O-CB 3.32Å; Y333-L337 PolarHBondContact O-N 3.39Å; E334-L337 PolarHBondContact O-N 3.49Å; L337-T339 VanDerWaalsContact C-N 3.33Å; L337-R341 HydrophobicContact CD1-CG 4.4Å; L337-R341 WeakPolarHBondContact O-CB 3.5Å; L337-R341 WeakPolarHBondContact O-CD 3.4Å; L337-R341 VanDerWaalsContact O-CG 3.3Å; L337-R341 WeakPolarHBondContact O-CG 3.14Å; L337-R341 PolarHBondContact O-N 2.88Å |
| 338 | S | 94.2 | Very high | 93.8 | Very high | 38 Ų | 38 | 36 Ų | 36 | 27% | 0.266 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -58.8 | -46.9 | 173.3 | -173 | 0 | 0 | 0 | 0 | 110.5 | E334 E335 R341 Y342 | E334-S338 VanDerWaalsContact O-CB 3.26Å; E334-S338 WeakPolarHBondContact O-CB 3.09Å; E334-S338 PolarHBondContact O-N 3.4Å; E335-S338 WeakPolarHBondContact O-CB 3.3Å; E335-S338 PolarHBondContact O-N 2.89Å; S338-R341 PolarHBondContact O-N 2.89Å; S338-Y342 WeakPolarHBondContact O-CB 3.27Å; S338-Y342 PolarHBondContact O-N 3.03Å |
| 339 | T | 96.3 | Very high | 93.5 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.006 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.1 | -47.3 | 178.5 | -58.3 | 0 | 0 | 0 | 0 | 112.2 | Y96 A324 L326 E335 T336 L337 R341 Y342 A343 | Y96-T339 HydrophobicContact CD1-CG2 4.07Å; Y96-T339 HydrophobicContact CE1-CG2 4.25Å; A324-T339 HydrophobicContact CB-CG2 3.73Å; L326-T339 HydrophobicContact CD2-CG2 3.56Å; E335-T339 WeakPolarHBondContact O-CB 3.44Å; E335-T339 PolarHBondContact O-N 2.76Å; E335-T339 PolarHBondContact O-OG1 3.07Å; T336-T339 PolarHBondContact O-N 2.87Å; L337-T339 VanDerWaalsContact C-N 3.33Å; T339-R341 PolarHBondContact O-N 2.77Å; T339-Y342 WeakPolarHBondContact O-CB 3.27Å; T339-Y342 PolarHBondContact O-N 3.07Å; T339-Y342 VanDerWaalsContact O-N 3.14Å; T339-A343 PolarHBondContact O-N 3.37Å |
| 340 | L | 97.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.8 | -45.9 | 175.6 | -74.7 | 165.3 | 0 | 0 | 0 | 112.4 | V10 I28 T35 I37 F50 F52 L326 T336 Y342 A343 D344 | V10-L340 HydrophobicContact CG1-CD2 4.45Å; I28-L340 HydrophobicContact CD1-CD1 4.1Å; T35-L340 HydrophobicContact CG2-CD2 3.86Å; I37-L340 HydrophobicContact CB-CD1 3.89Å; I37-L340 HydrophobicContact CD1-CD1 4.14Å; I37-L340 HydrophobicContact CG2-CD1 3.79Å; F50-L340 HydrophobicContact CD1-CB 4.46Å; F50-L340 HydrophobicContact CD2-CB 3.95Å; F50-L340 HydrophobicContact CD2-CD1 4.04Å; F50-L340 HydrophobicContact CD2-CD2 4.31Å; F50-L340 HydrophobicContact CD2-CG 4.34Å; F50-L340 HydrophobicContact CE1-CB 4.36Å; F50-L340 HydrophobicContact CE2-CB 3.84Å; F50-L340 HydrophobicContact CE2-CD1 4.01Å; F50-L340 HydrophobicContact CE2-CG 4.47Å; F50-L340 HydrophobicContact CG-CB 4.27Å; F50-L340 HydrophobicContact CZ-CB 4.05Å; F52-L340 HydrophobicContact CE2-CD2 3.57Å; F52-L340 HydrophobicContact CZ-CD2 3.73Å; L326-L340 HydrophobicContact CD1-CD2 3.88Å; L326-L340 HydrophobicContact CD1-CG 4.34Å; L326-L340 HydrophobicContact CD2-CD2 4.37Å; L326-L340 HydrophobicContact CD2-CG 4.22Å; T336-L340 HydrophobicContact CG2-CD1 4.29Å; T336-L340 WeakPolarHBondContact O-CG 3.49Å; T336-L340 PolarHBondContact O-N 2.81Å; L340-Y342 VanDerWaalsContact C-N 3.27Å; L340-Y342 PolarHBondContact O-N 2.87Å; L340-A343 PolarHBondContact O-N 2.87Å; L340-D344 WeakPolarHBondContact O-CB 3.15Å; L340-D344 PolarHBondContact O-N 2.95Å |
| 341 | R | 95.1 | Very high | 92.8 | Very high | 124 Ų | 124 | 40.7 Ų | 40.7 | 47% | 0.468 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -63.6 | -31.4 | 175.8 | -74.7 | 167.3 | 161 | 167.8 | -10 | 113 | F50 L337 S338 T339 R345 | F50-R341 HydrophobicContact CE1-CG 4.05Å; F50-R341 HydrophobicContact CZ-CG 4.03Å; L337-R341 HydrophobicContact CD1-CG 4.4Å; L337-R341 WeakPolarHBondContact O-CB 3.5Å; L337-R341 WeakPolarHBondContact O-CD 3.4Å; L337-R341 VanDerWaalsContact O-CG 3.3Å; L337-R341 WeakPolarHBondContact O-CG 3.14Å; L337-R341 PolarHBondContact O-N 2.88Å; S338-R341 PolarHBondContact O-N 2.89Å; T339-R341 PolarHBondContact O-N 2.77Å; R341-R345 PolarHBondContact O-N 2.72Å; R341-R345 PolarHBondContact O-NH1 2.83Å |
| 342 | Y | 93.6 | Very high | 92.7 | Very high | 11 Ų | 11 | 40.8 Ų | 40.8 | 4% | 0.043 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -71.7 | -47.2 | 178.7 | -162.8 | -77.8 | 0 | 0 | 0 | 110.8 | Y96 L278 G279 I282 M322 S338 T339 L340 D344 R345 A346 | Y96-Y342 HydrophobicContact CD1-CD1 4.07Å; Y96-Y342 HydrophobicContact CD1-CE1 4.4Å; Y96-Y342 HydrophobicContact CD1-CG 4.37Å; Y96-Y342 HydrophobicContact CD2-CD1 4.49Å; Y96-Y342 HydrophobicContact CD2-CE1 4.02Å; Y96-Y342 AromaticContact CE1-CD1 3.82Å; Y96-Y342 HydrophobicContact CE1-CD1 3.82Å; Y96-Y342 HydrophobicContact CE1-CD2 4.05Å; Y96-Y342 HydrophobicContact CE1-CE1 4.22Å; Y96-Y342 HydrophobicContact CE1-CE2 4.44Å; Y96-Y342 AromaticContact CE1-CG 3.7Å; Y96-Y342 HydrophobicContact CE1-CG 3.7Å; Y96-Y342 HydrophobicContact CE2-CD1 4.24Å; Y96-Y342 HydrophobicContact CE2-CD2 4.33Å; Y96-Y342 AromaticContact CE2-CE1 3.79Å; Y96-Y342 HydrophobicContact CE2-CE1 3.79Å; Y96-Y342 AromaticContact CE2-CE2 3.9Å; Y96-Y342 HydrophobicContact CE2-CE2 3.9Å; Y96-Y342 HydrophobicContact CE2-CG 4.47Å; Y96-Y342 AromaticContact CE2-CZ 3.58Å; Y96-Y342 HydrophobicContact CG-CD1 4.43Å; Y96-Y342 HydrophobicContact CG-CE1 4.34Å; Y96-Y342 AromaticContact CZ-CD1 3.91Å; Y96-Y342 AromaticContact CZ-CD2 3.63Å; Y96-Y342 AromaticContact CZ-CE1 3.9Å; Y96-Y342 AromaticContact CZ-CE2 3.64Å; Y96-Y342 AromaticContact CZ-CG 3.75Å; Y96-Y342 AromaticContact CZ-CZ 3.76Å; Y96-Y342 VanDerWaalsContact OH-CD2 3.26Å; Y96-Y342 WeakPolarHBondContact OH-CD2 3.36Å; Y96-Y342 WeakPolarHBondContact OH-CE2 3.44Å; L278-Y342 WeakPolarHBondContact CB-OH 3.47Å; L278-Y342 WeakPolarHBondContact CD2-OH 3.46Å; L278-Y342 WeakPolarHBondContact CG-OH 3.07Å; G279-Y342 PolarHBondContact N-OH 3.02Å; G279-Y342 VanDerWaalsContact N-OH 3.15Å; I282-Y342 HydrophobicContact CD1-CD1 4.3Å; I282-Y342 HydrophobicContact CD1-CE1 3.39Å; M322-Y342 HydrophobicContact CE-CD1 3.73Å; M322-Y342 HydrophobicContact CE-CE1 4.3Å; M322-Y342 HydrophobicContact SD-CD1 4.41Å; S338-Y342 WeakPolarHBondContact O-CB 3.27Å; S338-Y342 PolarHBondContact O-N 3.03Å; T339-Y342 WeakPolarHBondContact O-CB 3.27Å; T339-Y342 PolarHBondContact O-N 3.07Å; T339-Y342 VanDerWaalsContact O-N 3.14Å; L340-Y342 VanDerWaalsContact C-N 3.27Å; L340-Y342 PolarHBondContact O-N 2.87Å; Y342-D344 VanDerWaalsContact C-N 3.32Å; Y342-D344 PolarHBondContact O-N 3.07Å; Y342-R345 PolarHBondContact O-N 2.86Å; Y342-A346 PolarHBondContact O-N 3.04Å |
| 343 | A | 95.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -57.5 | -42.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | V8 V10 F52 M322 A324 T339 L340 R345 A346 K347 | V8-A343 HydrophobicContact CG1-CB 3.7Å; V10-A343 HydrophobicContact CG1-CB 4.18Å; F52-A343 HydrophobicContact CD1-CB 4.29Å; F52-A343 HydrophobicContact CE1-CB 3.58Å; F52-A343 HydrophobicContact CZ-CB 4.15Å; M322-A343 HydrophobicContact CE-CB 4.03Å; M322-A343 HydrophobicContact SD-CB 4.33Å; A324-A343 HydrophobicContact CB-CB 3.95Å; T339-A343 PolarHBondContact O-N 3.37Å; L340-A343 PolarHBondContact O-N 2.87Å; A343-R345 VanDerWaalsContact C-N 3.32Å; A343-R345 PolarHBondContact O-N 2.84Å; A343-A346 PolarHBondContact O-N 2.89Å; A343-K347 PolarHBondContact O-N 2.85Å; A343-K347 VanDerWaalsContact O-N 3.16Å |
| 344 | D | 94.4 | Very high | 92.3 | Very high | 60 Ų | 60 | 44.4 Ų | 44.4 | 32% | 0.321 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -61.2 | -35.5 | 177.9 | -175.9 | 71.9 | 0 | 0 | 0 | 113.4 | F50 F52 L340 Y342 | F50-D344 HydrophobicContact CD1-CB 4.13Å; F52-D344 HydrophobicContact CE1-CB 4.43Å; L340-D344 WeakPolarHBondContact O-CB 3.15Å; L340-D344 PolarHBondContact O-N 2.95Å; Y342-D344 VanDerWaalsContact C-N 3.32Å; Y342-D344 PolarHBondContact O-N 3.07Å |
| 345 | R | 92.3 | Very high | 92.2 | Very high | 78 Ų | 78 | 42.3 Ų | 42.3 | 29% | 0.294 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -74.7 | -40.4 | 172 | -68 | -166 | -53.3 | -67.7 | 1.8 | 112.6 | I282 S283 R341 Y342 A343 K347 Q348 | I282-R345 HydrophobicContact CG2-CB 4.12Å; S283-R345 PolarHBondContact OG-NE 3.14Å; S283-R345 VanDerWaalsContact OG-NE 3.09Å; R341-R345 PolarHBondContact O-N 2.72Å; R341-R345 PolarHBondContact O-NH1 2.83Å; Y342-R345 PolarHBondContact O-N 2.86Å; A343-R345 VanDerWaalsContact C-N 3.32Å; A343-R345 PolarHBondContact O-N 2.84Å; R345-K347 PolarHBondContact O-N 2.87Å; R345-Q348 WeakPolarHBondContact O-CB 3.46Å; R345-Q348 PolarHBondContact O-N 2.87Å |
| 346 | A | 92.8 | Very high | 92 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -57.8 | -35.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | V8 I282 M322 Y342 A343 Q348 I349 | V8-A346 HydrophobicContact CG2-CB 4.19Å; I282-A346 HydrophobicContact CG2-CB 4.27Å; M322-A346 HydrophobicContact SD-CB 3.52Å; M322-A346 VanDerWaalsContact SD-CB 3.52Å; Y342-A346 PolarHBondContact O-N 3.04Å; A343-A346 PolarHBondContact O-N 2.89Å; A346-Q348 PolarHBondContact O-N 2.95Å; A346-Q348 VanDerWaalsContact O-N 3.09Å; A346-I349 WeakPolarHBondContact O-CB 3.27Å; A346-I349 WeakPolarHBondContact O-CG1 3.29Å; A346-I349 PolarHBondContact O-N 2.67Å; A346-I349 VanDerWaalsContact O-N 3.12Å |
| 347 | K | 91.6 | Very high | 91.3 | Very high | 55 Ų | 55 | 45.1 Ų | 45.1 | 24% | 0.239 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -22.9 | 176.8 | -159.8 | 179.6 | -167.8 | 178.3 | 0 | 114.3 | V8 T51 F52 D53 A343 R345 | V8-K347 HydrophobicContact CB-CB 4.36Å; V8-K347 HydrophobicContact CB-CG 4.47Å; V8-K347 HydrophobicContact CG2-CB 3.78Å; V8-K347 HydrophobicContact CG2-CG 4.22Å; T51-K347 PolarHBondContact O-NZ 3.43Å; F52-K347 VanDerWaalsContact C-NZ 3.26Å; F52-K347 PolarHBondContact O-NZ 2.81Å; D53-K347 VanDerWaalsContact CG-CE 3.46Å; D53-K347 WeakPolarHBondContact OD1-CE 3.29Å; D53-K347 IonicContact OD1-NZ 3.65Å; D53-K347 PolarHBondContact OD1-NZ 2.82Å; D53-K347 WeakPolarHBondContact OD2-CE 3.18Å; A343-K347 PolarHBondContact O-N 2.85Å; A343-K347 VanDerWaalsContact O-N 3.16Å; R345-K347 PolarHBondContact O-N 2.87Å |
| 348 | Q | 89.4 | Confident | 90.2 | Very high | 92 Ų | 92 | 47.9 Ų | 47.9 | 43% | 0.43 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -11.3 | -177 | -54.9 | -177.6 | 19.6 | 0 | 0 | 112.9 | A286 R345 A346 | A286-Q348 HydrophobicContact CB-CB 3.85Å; R345-Q348 WeakPolarHBondContact O-CB 3.46Å; R345-Q348 PolarHBondContact O-N 2.87Å; A346-Q348 PolarHBondContact O-N 2.95Å; A346-Q348 VanDerWaalsContact O-N 3.09Å |
| 349 | I | 89.7 | Confident | 88.5 | Confident | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | trans | -71.8 | 136.4 | 178.2 | -57.5 | 175.2 | 0 | 0 | 0 | 109.4 | S5 V6 I282 L285 A346 | S5-I349 CarbonylContact C-O 3.59Å; S5-I349 VanDerWaalsContact CA-O 3.26Å; S5-I349 WeakPolarHBondContact CA-O 3.39Å; V6-I349 HydrophobicContact CB-CB 4.41Å; V6-I349 HydrophobicContact CG2-CB 3.67Å; V6-I349 HydrophobicContact CG2-CG2 3.72Å; V6-I349 PolarHBondContact N-O 2.83Å; I282-I349 HydrophobicContact CB-CD1 4.05Å; I282-I349 HydrophobicContact CG1-CD1 3.71Å; I282-I349 HydrophobicContact CG2-CD1 4.04Å; L285-I349 HydrophobicContact CB-CD1 4.21Å; L285-I349 HydrophobicContact CB-CG1 3.82Å; L285-I349 HydrophobicContact CB-CG2 4.21Å; L285-I349 HydrophobicContact CD1-CD1 4.09Å; L285-I349 HydrophobicContact CD1-CG1 4.45Å; L285-I349 HydrophobicContact CD1-CG2 4.06Å; A346-I349 WeakPolarHBondContact O-CB 3.27Å; A346-I349 WeakPolarHBondContact O-CG1 3.29Å; A346-I349 PolarHBondContact O-N 2.67Å; A346-I349 VanDerWaalsContact O-N 3.12Å | ||
| 350 | R | 87.1 | Confident | 86.4 | Confident | 129 Ų | 129 | 55.3 Ų | 55.3 | 49% | 0.487 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 129.9 | 167.4 | -66.6 | -177.6 | -179.8 | -96.7 | 0.5 | 110.3 | G3 A4 G315 | G3-R350 PolarHBondContact O-NH1 2.78Å; A4-R350 CarbonylContact O-C 3.57Å; A4-R350 VanDerWaalsContact O-CA 3.3Å; A4-R350 WeakPolarHBondContact O-CA 3.45Å; G315-R350 WeakPolarHBondContact CA-O 3.19Å |
| 351 | C | 88.1 | Confident | 84.4 | Confident | 3 Ų | 3 | 55.8 Ų | 55.8 | 2% | 0.02 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 152.7 | 167.7 | -61.1 | 0 | 0 | 0 | 0 | 110 | G3 A4 G315 S318 | G3-C351 CarbonylContact C-O 3.55Å; G3-C351 VanDerWaalsContact CA-O 3.32Å; G3-C351 WeakPolarHBondContact CA-O 3.37Å; A4-C351 PolarHBondContact N-O 2.84Å; A4-C351 PolarHBondContact O-N 2.82Å; G315-C351 PolarHBondContact N-SG 3.48Å; G315-C351 VanDerWaalsContact N-SG 3.36Å; S318-C351 WeakPolarHBondContact O-CB 3.29Å |
| 352 | N | 87.9 | Confident | 82.6 | Confident | 84 Ų | 84 | 54.3 Ų | 54.3 | 45% | 0.449 | 27% | 0.27 | S | S | . | . | trans | -109.4 | 67 | 177.3 | -171.9 | 62.5 | 0 | 0 | 0 | 109.8 | G316 | G316-N352 CarbonylContact O-C 3.56Å; G316-N352 PolarHBondContact O-N 2.74Å | ||
| 353 | A | 88.4 | Confident | 81 | Confident | 21 Ų | 21 | 58.1 Ų | 58.1 | 17% | 0.174 | 29% | 0.291 | C | S | . | . | trans | -65.1 | 131.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y89 N317 R319 | Y89-A353 HydrophobicContact CD1-CB 3.7Å; Y89-A353 HydrophobicContact CE1-CB 4.11Å; N317-A353 WeakPolarHBondContact OD1-CA 3.4Å; R319-A353 HydrophobicContact CG-CB 3.89Å | ||
| 354 | I | 88.8 | Confident | 79.1 | Confident | 93 Ų | 93 | 61.2 Ų | 61.2 | 48% | 0.477 | 31% | 0.307 | S | S | . | . | trans | -128.6 | 147.6 | 179.7 | -60.5 | 171.6 | 0 | 0 | 0 | 107.4 | Y89 N317 | Y89-I354 VanDerWaalsContact CD1-C 3.43Å; Y89-I354 WeakPolarHBondContact CD1-O 3.47Å; N317-I354 PolarHBondContact OD1-N 3.26Å; N317-I354 PolarHBondContact OD1-O 2.99Å | ||
| 355 | I | 90.3 | Very high | 77.5 | Confident | 65 Ų | 65 | 63.4 Ų | 63.4 | 33% | 0.333 | 31% | 0.311 | S | S | . | . | B | Isolated β-bridge | trans | -74.8 | 123.2 | 173.3 | -60.6 | 176 | 0 | 0 | 0 | 108.4 | E87 G88 Y89 E357 | E87-I355 WeakPolarHBondContact O-CG2 3.23Å; G88-I355 CarbonylContact O-C 3.56Å; G88-I355 WeakPolarHBondContact O-CA 3.26Å; Y89-I355 HydrophobicContact CD1-CG1 4.2Å; Y89-I355 HydrophobicContact CD2-CG1 4.32Å; Y89-I355 HydrophobicContact CE1-CG1 3.74Å; Y89-I355 HydrophobicContact CE2-CD1 4.33Å; Y89-I355 HydrophobicContact CE2-CG1 3.84Å; Y89-I355 HydrophobicContact CG-CG1 4.48Å; I355-E357 HydrophobicContact CG2-CG 3.99Å; I355-E357 PolarHBondContact O-N 3.37Å |
| 356 | N | 86.8 | Confident | 76.2 | Confident | 41 Ų | 41 | 64.8 Ų | 64.8 | 22% | 0.219 | 32% | 0.32 | C | S | . | . | trans | -86.1 | 87.1 | 175.9 | -27.8 | -74.3 | 0 | 0 | 0 | 109.7 | G88 N90 K240 V241 N317 | G88-N356 PolarHBondContact O-N 2.99Å; G88-N356 PolarHBondContact O-ND2 2.88Å; N90-N356 PolarHBondContact OD1-ND2 3.17Å; K240-N356 WeakPolarHBondContact CA-O 3.46Å; V241-N356 PolarHBondContact N-O 2.86Å; V241-N356 WeakPolarHBondContact O-CB 3.43Å; V241-N356 PolarHBondContact O-ND2 2.87Å; N317-N356 PolarHBondContact ND2-OD1 3.1Å | ||
| 357 | E | 82.8 | Confident | 74.2 | Confident | 49 Ų | 49 | 69.6 Ų | 69.6 | 23% | 0.229 | 35% | 0.346 | C | S | . | . | B | Isolated β-bridge | trans | -103.6 | 147.8 | 162.7 | -77.5 | 173.4 | -143.4 | 0 | 0 | 109 | E239 K240 I355 R365 | E239-E357 WeakPolarHBondContact O-CA 3.44Å; K240-E357 HydrophobicContact CB-CG 4.06Å; K240-E357 VanDerWaalsContact CE-CG 3.45Å; K240-E357 WeakPolarHBondContact CE-OE1 3.43Å; K240-E357 HydrophobicContact CG-CG 4.46Å; K240-E357 IonicContact NZ-OE1 2.68Å; K240-E357 PolarHBondContact NZ-OE1 3.06Å; I355-E357 HydrophobicContact CG2-CG 3.99Å; I355-E357 PolarHBondContact O-N 3.37Å; E357-R365 IonicContact OE2-CZ 2.72Å; E357-R365 VanDerWaalsContact OE2-CZ 3.27Å; E357-R365 IonicContact OE2-NH1 3.47Å; E357-R365 PolarHBondContact OE2-NH1 3.49Å; E357-R365 IonicContact OE2-NH2 2.7Å; E357-R365 PolarHBondContact OE2-NH2 2.83Å |
| 358 | D | 70.8 | Confident | 72.5 | Confident | 60 Ų | 60 | 70.2 Ų | 70.2 | 32% | 0.321 | 35% | 0.348 | S | S | . | . | trans | -55.2 | 123.7 | 174.9 | 161.5 | 37.4 | 0 | 0 | 0 | 110.5 | E239 N360 A361 K362 | E239-D358 PolarHBondContact O-N 2.87Å; E239-D358 VanDerWaalsContact O-N 3.16Å; D358-N360 PolarHBondContact O-N 2.85Å; D358-N360 WeakPolarHBondContact OD1-CB 3.32Å; D358-N360 PolarHBondContact OD1-N 3.28Å; D358-N360 PolarHBondContact OD1-ND2 3.32Å; D358-N360 WeakPolarHBondContact OD2-CB 3.16Å; D358-A361 HydrophobicContact CB-CB 3.98Å; D358-A361 PolarHBondContact O-N 2.9Å; D358-A361 VanDerWaalsContact OD2-CB 3.24Å; D358-A361 WeakPolarHBondContact OD2-CB 3.49Å; D358-A361 PolarHBondContact OD2-N 3.26Å; D358-K362 WeakPolarHBondContact O-CB 3.44Å; D358-K362 PolarHBondContact O-N 3Å | ||
| 359 | P | 59.2 | Low | 71 | Confident | 93 Ų | 93 | 68.8 Ų | 68.8 | 60% | 0.604 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -61.1 | -27.8 | 179.9 | 25.1 | -35.2 | 0 | 0 | 0 | 112.9 | L363 | P359-L363 WeakPolarHBondContact O-CB 3.43Å; P359-L363 PolarHBondContact O-N 2.66Å |
| 360 | N | 51.5 | Low | 69.5 | Low | 102 Ų | 102 | 72.2 Ų | 72.2 | 55% | 0.545 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -73.5 | -52.3 | 177.4 | -56.2 | -70.5 | 0 | 0 | 0 | 110.9 | D358 K362 L363 I364 | D358-N360 PolarHBondContact O-N 2.85Å; D358-N360 WeakPolarHBondContact OD1-CB 3.32Å; D358-N360 PolarHBondContact OD1-N 3.28Å; D358-N360 PolarHBondContact OD1-ND2 3.32Å; D358-N360 WeakPolarHBondContact OD2-CB 3.16Å; N360-K362 VanDerWaalsContact C-N 3.25Å; N360-K362 PolarHBondContact O-N 3.46Å; N360-L363 PolarHBondContact O-N 2.88Å; N360-L363 VanDerWaalsContact O-N 3.14Å; N360-I364 WeakPolarHBondContact O-CB 3.33Å; N360-I364 VanDerWaalsContact O-CG1 3.25Å; N360-I364 WeakPolarHBondContact O-CG1 3.37Å; N360-I364 PolarHBondContact O-N 3.44Å |
| 361 | A | 55.3 | Low | 68.3 | Low | 10 Ų | 10 | 69.2 Ų | 69.2 | 8% | 0.083 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -53.4 | -42.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | T238 D358 R365 | T238-A361 HydrophobicContact CG2-CB 3.85Å; D358-A361 HydrophobicContact CB-CB 3.98Å; D358-A361 PolarHBondContact O-N 2.9Å; D358-A361 VanDerWaalsContact OD2-CB 3.24Å; D358-A361 WeakPolarHBondContact OD2-CB 3.49Å; D358-A361 PolarHBondContact OD2-N 3.26Å; A361-R365 WeakPolarHBondContact O-CB 3.43Å; A361-R365 PolarHBondContact O-N 3.44Å; A361-R365 VanDerWaalsContact O-N 3.08Å |
| 362 | K | 58.8 | Low | 66.8 | Low | 93 Ų | 93 | 71.1 Ų | 71.1 | 40% | 0.404 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.7 | -48.9 | 174.9 | -178.2 | -177.5 | 169.2 | -175 | 0 | 112.1 | D358 N360 I364 R365 E366 | D358-K362 WeakPolarHBondContact O-CB 3.44Å; D358-K362 PolarHBondContact O-N 3Å; N360-K362 VanDerWaalsContact C-N 3.25Å; N360-K362 PolarHBondContact O-N 3.46Å; K362-I364 PolarHBondContact O-N 2.75Å; K362-R365 WeakPolarHBondContact O-CB 3.48Å; K362-R365 PolarHBondContact O-N 2.79Å; K362-E366 WeakPolarHBondContact CE-OE1 3.33Å; K362-E366 IonicContact NZ-OE1 2.66Å; K362-E366 PolarHBondContact O-N 3.42Å |
| 363 | L | 59.5 | Low | 66 | Low | 91 Ų | 91 | 73.5 Ų | 73.5 | 48% | 0.476 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61.8 | -42.1 | 179.5 | 178 | 61.8 | 0 | 0 | 0 | 111.7 | P359 N360 R365 E366 L367 | P359-L363 WeakPolarHBondContact O-CB 3.43Å; P359-L363 PolarHBondContact O-N 2.66Å; N360-L363 PolarHBondContact O-N 2.88Å; N360-L363 VanDerWaalsContact O-N 3.14Å; L363-R365 VanDerWaalsContact C-N 3.31Å; L363-R365 PolarHBondContact O-N 2.88Å; L363-E366 PolarHBondContact O-N 3.45Å; L363-L367 HydrophobicContact CD1-CD1 3.93Å; L363-L367 HydrophobicContact CD1-CG 4Å; L363-L367 HydrophobicContact CG-CD1 3.84Å; L363-L367 HydrophobicContact CG-CG 4.34Å; L363-L367 VanDerWaalsContact O-CB 3.3Å; L363-L367 WeakPolarHBondContact O-CB 3.41Å; L363-L367 VanDerWaalsContact O-CG 3.23Å; L363-L367 WeakPolarHBondContact O-CG 3.3Å; L363-L367 PolarHBondContact O-N 2.83Å |
| 364 | I | 55.8 | Low | 64.6 | Low | 65 Ų | 65 | 76 Ų | 76 | 33% | 0.333 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60.2 | -42.2 | 175.3 | -69.1 | 164 | 0 | 0 | 0 | 110.7 | T234 L236 N360 K362 K368 | T234-I364 HydrophobicContact CG2-CG2 3.84Å; L236-I364 HydrophobicContact CD1-CD1 4.01Å; L236-I364 HydrophobicContact CD1-CG2 4.43Å; N360-I364 WeakPolarHBondContact O-CB 3.33Å; N360-I364 VanDerWaalsContact O-CG1 3.25Å; N360-I364 WeakPolarHBondContact O-CG1 3.37Å; N360-I364 PolarHBondContact O-N 3.44Å; K362-I364 PolarHBondContact O-N 2.75Å; I364-K368 WeakPolarHBondContact O-CB 3.13Å; I364-K368 PolarHBondContact O-N 3.31Å |
| 365 | R | 60.7 | Low | 63.1 | Low | 107 Ų | 107 | 78.6 Ų | 78.6 | 40% | 0.404 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64.4 | -47.2 | 177.4 | -162.9 | -166.4 | -55.2 | 143.3 | -2.2 | 112 | E357 A361 K362 L363 K368 A369 | E357-R365 IonicContact OE2-CZ 2.72Å; E357-R365 VanDerWaalsContact OE2-CZ 3.27Å; E357-R365 IonicContact OE2-NH1 3.47Å; E357-R365 PolarHBondContact OE2-NH1 3.49Å; E357-R365 IonicContact OE2-NH2 2.7Å; E357-R365 PolarHBondContact OE2-NH2 2.83Å; A361-R365 WeakPolarHBondContact O-CB 3.43Å; A361-R365 PolarHBondContact O-N 3.44Å; A361-R365 VanDerWaalsContact O-N 3.08Å; K362-R365 WeakPolarHBondContact O-CB 3.48Å; K362-R365 PolarHBondContact O-N 2.79Å; L363-R365 VanDerWaalsContact C-N 3.31Å; L363-R365 PolarHBondContact O-N 2.88Å; R365-K368 PolarHBondContact O-N 2.98Å; R365-A369 WeakPolarHBondContact O-CB 3.46Å; R365-A369 PolarHBondContact O-N 3.41Å |
| 366 | E | 64.6 | Low | 61.8 | Low | 106 Ų | 106 | 80.6 Ų | 80.6 | 50% | 0.495 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -65.9 | -42.5 | 178.4 | -71.8 | 178.1 | 172.8 | 0 | 0 | 111.7 | K362 L363 A369 E370 | K362-E366 WeakPolarHBondContact CE-OE1 3.33Å; K362-E366 IonicContact NZ-OE1 2.66Å; K362-E366 PolarHBondContact O-N 3.42Å; L363-E366 PolarHBondContact O-N 3.45Å; E366-A369 PolarHBondContact O-N 2.84Å; E366-E370 PolarHBondContact O-N 3.36Å |
| 367 | L | 51.7 | Low | 60.8 | Low | 101 Ų | 101 | 82.1 Ų | 82.1 | 53% | 0.529 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64.1 | -41.4 | 175.2 | -72.8 | 172.2 | 0 | 0 | 0 | 112.5 | L363 E370 V371 | L363-L367 HydrophobicContact CD1-CD1 3.93Å; L363-L367 HydrophobicContact CD1-CG 4Å; L363-L367 HydrophobicContact CG-CD1 3.84Å; L363-L367 HydrophobicContact CG-CG 4.34Å; L363-L367 VanDerWaalsContact O-CB 3.3Å; L363-L367 WeakPolarHBondContact O-CB 3.41Å; L363-L367 VanDerWaalsContact O-CG 3.23Å; L363-L367 WeakPolarHBondContact O-CG 3.3Å; L363-L367 PolarHBondContact O-N 2.83Å; L367-E370 PolarHBondContact O-N 3.39Å; L367-V371 WeakPolarHBondContact O-CB 3.38Å; L367-V371 VanDerWaalsContact O-CG2 3.32Å; L367-V371 WeakPolarHBondContact O-CG2 3.48Å; L367-V371 PolarHBondContact O-N 2.84Å |
| 368 | K | 55.8 | Low | 59.7 | Low | 68 Ų | 68 | 83 Ų | 83 | 30% | 0.296 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -66.3 | -43.8 | 175.3 | -81.3 | -163.5 | 174.1 | -171.9 | 0 | 112.2 | M233 T234 I364 R365 E370 V371 D372 | M233-K368 HydrophobicContact CE-CB 4.14Å; M233-K368 HydrophobicContact CE-CD 4.02Å; M233-K368 PolarHBondContact O-NZ 3.43Å; T234-K368 HydrophobicContact CG2-CD 3.79Å; I364-K368 WeakPolarHBondContact O-CB 3.13Å; I364-K368 PolarHBondContact O-N 3.31Å; R365-K368 PolarHBondContact O-N 2.98Å; K368-E370 VanDerWaalsContact C-N 3.26Å; K368-E370 PolarHBondContact O-N 3.36Å; K368-V371 PolarHBondContact O-N 2.94Å; K368-V371 VanDerWaalsContact O-N 3.15Å; K368-D372 PolarHBondContact O-N 3.35Å |
| 369 | A | 57.9 | Low | 59.1 | Low | 62 Ų | 62 | 86.5 Ų | 86.5 | 51% | 0.512 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -58.7 | -39.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | R365 E366 R373 | R365-A369 WeakPolarHBondContact O-CB 3.46Å; R365-A369 PolarHBondContact O-N 3.41Å; E366-A369 PolarHBondContact O-N 2.84Å; A369-R373 WeakPolarHBondContact O-CB 3.4Å; A369-R373 PolarHBondContact O-N 2.72Å |
| 370 | E | 57.9 | Low | 59.4 | Low | 74 Ų | 74 | 86.3 Ų | 86.3 | 35% | 0.346 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -69.9 | -41.5 | 173.8 | -178.8 | 58.6 | -165.5 | 0 | 0 | 112.5 | E366 L367 K368 D372 R373 L374 | E366-E370 PolarHBondContact O-N 3.36Å; L367-E370 PolarHBondContact O-N 3.39Å; K368-E370 VanDerWaalsContact C-N 3.26Å; K368-E370 PolarHBondContact O-N 3.36Å; E370-D372 VanDerWaalsContact C-N 3.32Å; E370-D372 PolarHBondContact O-N 3.4Å; E370-R373 WeakPolarHBondContact O-CB 3.4Å; E370-R373 PolarHBondContact O-N 2.77Å; E370-R373 IonicContact OE1-CZ 3.85Å; E370-R373 IonicContact OE1-NE 3.8Å; E370-R373 IonicContact OE1-NH2 3.51Å; E370-R373 PolarHBondContact OE1-NH2 2.65Å; E370-R373 IonicContact OE2-CZ 3.07Å; E370-R373 IonicContact OE2-NE 2.77Å; E370-R373 PolarHBondContact OE2-NE 2.72Å; E370-R373 IonicContact OE2-NH2 2.81Å; E370-R373 PolarHBondContact OE2-NH2 3.09Å; E370-L374 HydrophobicContact CG-CD1 3.99Å; E370-L374 HydrophobicContact CG-CG 4.41Å; E370-L374 WeakPolarHBondContact O-CB 3.3Å; E370-L374 VanDerWaalsContact O-CG 3.23Å; E370-L374 WeakPolarHBondContact O-CG 3.46Å; E370-L374 PolarHBondContact O-N 3.08Å |
| 371 | V | 61.9 | Low | 60.4 | Low | 65 Ų | 65 | 87 Ų | 87 | 39% | 0.394 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -58.7 | -42.6 | 174 | 162.9 | 0 | 0 | 0 | 0 | 111.5 | L367 K368 L374 R375 | L367-V371 WeakPolarHBondContact O-CB 3.38Å; L367-V371 VanDerWaalsContact O-CG2 3.32Å; L367-V371 WeakPolarHBondContact O-CG2 3.48Å; L367-V371 PolarHBondContact O-N 2.84Å; K368-V371 PolarHBondContact O-N 2.94Å; K368-V371 VanDerWaalsContact O-N 3.15Å; V371-L374 PolarHBondContact O-N 3.39Å; V371-R375 WeakPolarHBondContact O-CB 3.45Å; V371-R375 WeakPolarHBondContact O-CD 3.44Å; V371-R375 VanDerWaalsContact O-CG 3.26Å; V371-R375 WeakPolarHBondContact O-CG 3.37Å; V371-R375 PolarHBondContact O-N 3.05Å |
| 372 | D | 56.3 | Low | 60.4 | Low | 43 Ų | 43 | 89.3 Ų | 89.3 | 23% | 0.23 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -75.9 | -31.4 | 178.1 | -69 | -39 | 0 | 0 | 0 | 112.4 | K368 E370 L374 R375 N376 | K368-D372 PolarHBondContact O-N 3.35Å; E370-D372 VanDerWaalsContact C-N 3.32Å; E370-D372 PolarHBondContact O-N 3.4Å; D372-L374 VanDerWaalsContact C-N 3.35Å; D372-R375 PolarHBondContact O-N 3.45Å; D372-R375 WeakPolarHBondContact OD1-CD 3.45Å; D372-R375 IonicContact OD1-CZ 3.5Å; D372-R375 IonicContact OD1-NE 3.83Å; D372-R375 IonicContact OD1-NH1 2.68Å; D372-R375 PolarHBondContact OD1-NH1 3.44Å; D372-N376 WeakPolarHBondContact O-CB 3.38Å; D372-N376 PolarHBondContact O-N 3.24Å; D372-N376 PolarHBondContact O-ND2 3.19Å |
| 373 | R | 70.4 | Confident | 60.4 | Low | 135 Ų | 135 | 88.2 Ų | 88.2 | 51% | 0.509 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -60.6 | -44.3 | 167.1 | -167.1 | -173 | 74.1 | 85.3 | 2.4 | 111.2 | A369 E370 N376 L377 | A369-R373 WeakPolarHBondContact O-CB 3.4Å; A369-R373 PolarHBondContact O-N 2.72Å; E370-R373 WeakPolarHBondContact O-CB 3.4Å; E370-R373 PolarHBondContact O-N 2.77Å; E370-R373 IonicContact OE1-CZ 3.85Å; E370-R373 IonicContact OE1-NE 3.8Å; E370-R373 IonicContact OE1-NH2 3.51Å; E370-R373 PolarHBondContact OE1-NH2 2.65Å; E370-R373 IonicContact OE2-CZ 3.07Å; E370-R373 IonicContact OE2-NE 2.77Å; E370-R373 PolarHBondContact OE2-NE 2.72Å; E370-R373 IonicContact OE2-NH2 2.81Å; E370-R373 PolarHBondContact OE2-NH2 3.09Å; R373-N376 PolarHBondContact O-N 3.02Å; R373-L377 WeakPolarHBondContact O-CB 3.33Å; R373-L377 PolarHBondContact O-N 2.84Å |
| 374 | L | 60.6 | Low | 60.2 | Low | 72 Ų | 72 | 89.3 Ų | 89.3 | 38% | 0.377 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -69.1 | -40 | 178.4 | -70.7 | 169.1 | 0 | 0 | 0 | 112.3 | E370 V371 D372 L377 L378 | E370-L374 HydrophobicContact CG-CD1 3.99Å; E370-L374 HydrophobicContact CG-CG 4.41Å; E370-L374 WeakPolarHBondContact O-CB 3.3Å; E370-L374 VanDerWaalsContact O-CG 3.23Å; E370-L374 WeakPolarHBondContact O-CG 3.46Å; E370-L374 PolarHBondContact O-N 3.08Å; V371-L374 PolarHBondContact O-N 3.39Å; D372-L374 VanDerWaalsContact C-N 3.35Å; L374-L377 WeakPolarHBondContact O-CB 3.46Å; L374-L377 PolarHBondContact O-N 3.33Å; L374-L378 WeakPolarHBondContact O-CB 3.09Å; L374-L378 VanDerWaalsContact O-CG 3.3Å; L374-L378 WeakPolarHBondContact O-CG 3.17Å; L374-L378 PolarHBondContact O-N 3.1Å |
| 375 | R | 57.3 | Low | 60.1 | Low | 148 Ų | 148 | 93.7 Ų | 93.7 | 56% | 0.558 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -58.8 | -48.5 | 171.5 | -76.2 | 161.5 | 170.5 | 171.5 | -2.4 | 111.4 | V371 D372 L377 L378 F379 | V371-R375 WeakPolarHBondContact O-CB 3.45Å; V371-R375 WeakPolarHBondContact O-CD 3.44Å; V371-R375 VanDerWaalsContact O-CG 3.26Å; V371-R375 WeakPolarHBondContact O-CG 3.37Å; V371-R375 PolarHBondContact O-N 3.05Å; D372-R375 PolarHBondContact O-N 3.45Å; D372-R375 WeakPolarHBondContact OD1-CD 3.45Å; D372-R375 IonicContact OD1-CZ 3.5Å; D372-R375 IonicContact OD1-NE 3.83Å; D372-R375 IonicContact OD1-NH1 2.68Å; D372-R375 PolarHBondContact OD1-NH1 3.44Å; R375-L377 VanDerWaalsContact C-N 3.31Å; R375-L377 PolarHBondContact O-N 2.87Å; R375-L378 PolarHBondContact O-N 3.38Å; R375-F379 VanDerWaalsContact O-CB 3.32Å; R375-F379 WeakPolarHBondContact O-CB 3.24Å; R375-F379 PolarHBondContact O-N 3.12Å |
| 376 | N | 62.8 | Low | 59.8 | Low | 108 Ų | 108 | 94.2 Ų | 94.2 | 58% | 0.578 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64.3 | -35.1 | 176.6 | -75 | -51.9 | 0 | 0 | 0 | 112.1 | D372 R373 S380 | D372-N376 WeakPolarHBondContact O-CB 3.38Å; D372-N376 PolarHBondContact O-N 3.24Å; D372-N376 PolarHBondContact O-ND2 3.19Å; R373-N376 PolarHBondContact O-N 3.02Å; N376-S380 WeakPolarHBondContact O-CB 3.29Å; N376-S380 PolarHBondContact O-N 2.93Å; N376-S380 PolarHBondContact O-OG 3.4Å |
| 377 | L | 65.8 | Low | 59.1 | Low | 72 Ų | 72 | 93.9 Ų | 93.9 | 38% | 0.377 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.3 | -49.6 | 173.7 | -163.3 | 79.2 | 0 | 0 | 0 | 111.3 | R373 L374 R375 F379 S380 Q381 | R373-L377 WeakPolarHBondContact O-CB 3.33Å; R373-L377 PolarHBondContact O-N 2.84Å; L374-L377 WeakPolarHBondContact O-CB 3.46Å; L374-L377 PolarHBondContact O-N 3.33Å; R375-L377 VanDerWaalsContact C-N 3.31Å; R375-L377 PolarHBondContact O-N 2.87Å; L377-F379 VanDerWaalsContact C-N 3.32Å; L377-F379 PolarHBondContact O-N 3.34Å; L377-S380 PolarHBondContact O-N 3.14Å; L377-S380 PolarHBondContact O-OG 3.4Å; L377-Q381 WeakPolarHBondContact O-CG 3.18Å; L377-Q381 PolarHBondContact O-N 3.06Å |
| 378 | L | 58.4 | Low | 59.1 | Low | 67 Ų | 67 | 94 Ų | 94 | 35% | 0.351 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.6 | -40.1 | 176.8 | -71.1 | 167.2 | 0 | 0 | 0 | 111.9 | L374 R375 Q381 G382 L383 L387 | L374-L378 WeakPolarHBondContact O-CB 3.09Å; L374-L378 VanDerWaalsContact O-CG 3.3Å; L374-L378 WeakPolarHBondContact O-CG 3.17Å; L374-L378 PolarHBondContact O-N 3.1Å; R375-L378 PolarHBondContact O-N 3.38Å; L378-Q381 PolarHBondContact O-N 2.68Å; L378-G382 PolarHBondContact O-N 2.83Å; L378-L383 HydrophobicContact CD2-CB 4.21Å; L378-L383 HydrophobicContact CD2-CD1 3.7Å; L378-L383 PolarHBondContact O-N 2.57Å; L378-L383 VanDerWaalsContact O-N 3.09Å; L378-L387 HydrophobicContact CD1-CD1 4.32Å |
| 379 | F | 58.3 | Low | 58.8 | Low | 134 Ų | 134 | 95.5 Ų | 95.5 | 59% | 0.588 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.4 | -46.9 | 173.9 | -168 | -96.7 | 0 | 0 | 0 | 111.4 | R375 L377 Q381 G382 | R375-F379 VanDerWaalsContact O-CB 3.32Å; R375-F379 WeakPolarHBondContact O-CB 3.24Å; R375-F379 PolarHBondContact O-N 3.12Å; L377-F379 VanDerWaalsContact C-N 3.32Å; L377-F379 PolarHBondContact O-N 3.34Å; F379-Q381 PolarHBondContact O-N 3.25Å; F379-G382 PolarHBondContact O-N 2.82Å; F379-G382 VanDerWaalsContact O-N 3.1Å |
| 380 | S | 66.8 | Low | 58.5 | Low | 90 Ų | 90 | 97.1 Ų | 97.1 | 63% | 0.629 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.5 | -20.6 | 176.2 | 76.3 | 0 | 0 | 0 | 0 | 114.4 | N376 L377 | N376-S380 WeakPolarHBondContact O-CB 3.29Å; N376-S380 PolarHBondContact O-N 2.93Å; N376-S380 PolarHBondContact O-OG 3.4Å; L377-S380 PolarHBondContact O-N 3.14Å; L377-S380 PolarHBondContact O-OG 3.4Å |
| 381 | Q | 72.1 | Confident | 58.2 | Low | 116 Ų | 116 | 97.2 Ų | 97.2 | 54% | 0.542 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | 3 | 177.2 | -68.7 | 177.9 | 13.7 | 0 | 0 | 113 | L377 L378 F379 L383 | L377-Q381 WeakPolarHBondContact O-CG 3.18Å; L377-Q381 PolarHBondContact O-N 3.06Å; L378-Q381 PolarHBondContact O-N 2.68Å; F379-Q381 PolarHBondContact O-N 3.25Å; Q381-L383 VanDerWaalsContact C-N 3.27Å; Q381-L383 HydrophobicContact CB-CD1 4.12Å; Q381-L383 HydrophobicContact CB-CG 4.42Å; Q381-L383 PolarHBondContact O-N 3.15Å |
| 382 | G | 54.9 | Low | 57.3 | Low | 59 Ų | 59 | 98.2 Ų | 98.2 | 61% | 0.608 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.1 | 11.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115 | L378 F379 Q384 | L378-G382 PolarHBondContact O-N 2.83Å; F379-G382 PolarHBondContact O-N 2.82Å; F379-G382 VanDerWaalsContact O-N 3.1Å; G382-Q384 PolarHBondContact O-N 3.21Å |
| 383 | L | 59.4 | Low | 56.8 | Low | 69 Ų | 69 | 102.5 Ų | 102.5 | 36% | 0.361 | 53% | 0.53 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | 23.9 | -175 | -72.7 | 164.1 | 0 | 0 | 0 | 113.9 | L378 Q381 E385 L386 | L378-L383 HydrophobicContact CD2-CB 4.21Å; L378-L383 HydrophobicContact CD2-CD1 3.7Å; L378-L383 PolarHBondContact O-N 2.57Å; L378-L383 VanDerWaalsContact O-N 3.09Å; Q381-L383 VanDerWaalsContact C-N 3.27Å; Q381-L383 HydrophobicContact CB-CD1 4.12Å; Q381-L383 HydrophobicContact CB-CG 4.42Å; Q381-L383 PolarHBondContact O-N 3.15Å; L383-E385 PolarHBondContact O-N 3Å; L383-L386 HydrophobicContact CD2-CD1 4Å |
| 384 | Q | 53.7 | Low | 55.7 | Low | 114 Ų | 114 | 103 Ų | 103 | 53% | 0.533 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -68.4 | -34.8 | -170.9 | -169.5 | 171.2 | -5.9 | 0 | 0 | 113 | G382 L386 L387 Q388 | G382-Q384 PolarHBondContact O-N 3.21Å; Q384-L386 PolarHBondContact O-N 2.77Å; Q384-L387 PolarHBondContact O-N 2.93Å; Q384-Q388 PolarHBondContact O-N 2.69Å |
| 385 | E | 53.7 | Low | 54.9 | Low | 157 Ų | 157 | 105.8 Ų | 105.8 | 73% | 0.734 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -67.8 | -32 | -177.9 | -62.4 | -170 | 144.5 | 0 | 0 | 113.5 | L383 Q388 N389 | L383-E385 PolarHBondContact O-N 3Å; E385-Q388 PolarHBondContact O-N 2.93Å; E385-N389 WeakPolarHBondContact O-CB 3.42Å; E385-N389 PolarHBondContact O-N 3.34Å; E385-N389 PolarHBondContact O-ND2 3.47Å; E385-N389 VanDerWaalsContact O-ND2 3.17Å |
| 386 | L | 54.7 | Low | 53.9 | Low | 118 Ų | 118 | 104 Ų | 104 | 62% | 0.618 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -66.9 | -37.5 | 179.8 | -91.9 | 164 | 0 | 0 | 0 | 112.4 | L383 Q384 T390 | L383-L386 HydrophobicContact CD2-CD1 4Å; Q384-L386 PolarHBondContact O-N 2.77Å; L386-T390 PolarHBondContact O-N 2.89Å; L386-T390 PolarHBondContact O-OG1 3.07Å |
| 387 | L | 51.4 | Low | 52.8 | Low | 99 Ų | 99 | 107.2 Ų | 107.2 | 52% | 0.518 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -70.3 | -45.7 | 176 | -91.9 | 162.1 | 0 | 0 | 0 | 111.4 | L378 Q384 N389 T390 V391 | L378-L387 HydrophobicContact CD1-CD1 4.32Å; Q384-L387 PolarHBondContact O-N 2.93Å; L387-N389 VanDerWaalsContact C-N 3.35Å; L387-N389 PolarHBondContact O-N 3.05Å; L387-T390 PolarHBondContact O-N 3.21Å; L387-V391 PolarHBondContact O-N 2.99Å; L387-V391 VanDerWaalsContact O-N 3.11Å |
| 388 | Q | 51.4 | Low | 51.1 | Low | 105 Ų | 105 | 107.8 Ų | 107.8 | 49% | 0.491 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -61.8 | -42.9 | -179.3 | -162.4 | 66.7 | 56.7 | 0 | 0 | 111.9 | Q384 E385 T390 V391 N392 | Q384-Q388 PolarHBondContact O-N 2.69Å; E385-Q388 PolarHBondContact O-N 2.93Å; Q388-T390 VanDerWaalsContact C-N 3.31Å; Q388-T390 PolarHBondContact O-N 2.97Å; Q388-V391 PolarHBondContact O-N 3.36Å; Q388-N392 PolarHBondContact NE2-OD1 3.37Å; Q388-N392 VanDerWaalsContact NE2-OD1 3.08Å; Q388-N392 WeakPolarHBondContact O-CB 3.24Å; Q388-N392 PolarHBondContact O-N 3.31Å; Q388-N392 PolarHBondContact O-OD1 3.06Å |
| 389 | N | 48.3 | Very low | 49.9 | Very low | 98 Ų | 98 | 108.6 Ų | 108.6 | 52% | 0.524 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -68.8 | -26.7 | 177.8 | -72.8 | -30.6 | 0 | 0 | 0 | 113.3 | E385 L387 N393 | E385-N389 WeakPolarHBondContact O-CB 3.42Å; E385-N389 PolarHBondContact O-N 3.34Å; E385-N389 PolarHBondContact O-ND2 3.47Å; E385-N389 VanDerWaalsContact O-ND2 3.17Å; L387-N389 VanDerWaalsContact C-N 3.35Å; L387-N389 PolarHBondContact O-N 3.05Å; N389-N393 PolarHBondContact O-ND2 3.45Å |
| 390 | T | 52.5 | Low | 48.5 | Very low | 96 Ų | 96 | 107.3 Ų | 107.3 | 59% | 0.589 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -75.1 | -41.6 | 175.9 | -55.3 | 0 | 0 | 0 | 0 | 111.5 | L386 L387 Q388 | L386-T390 PolarHBondContact O-N 2.89Å; L386-T390 PolarHBondContact O-OG1 3.07Å; L387-T390 PolarHBondContact O-N 3.21Å; Q388-T390 VanDerWaalsContact C-N 3.31Å; Q388-T390 PolarHBondContact O-N 2.97Å |
| 391 | V | 51.2 | Low | 47 | Very low | 76 Ų | 76 | 107.5 Ų | 107.5 | 46% | 0.461 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -70.3 | -44.9 | 178.5 | 177.1 | 0 | 0 | 0 | 0 | 111.5 | L387 Q388 N393 N394 I395 | L387-V391 PolarHBondContact O-N 2.99Å; L387-V391 VanDerWaalsContact O-N 3.11Å; Q388-V391 PolarHBondContact O-N 3.36Å; V391-N393 VanDerWaalsContact C-N 3.26Å; V391-N393 PolarHBondContact O-N 2.9Å; V391-N394 PolarHBondContact O-N 3.36Å; V391-N394 VanDerWaalsContact O-N 3.14Å; V391-I395 HydrophobicContact CG1-CD1 4.16Å |
| 392 | N | 44.1 | Very low | 45.1 | Very low | 87 Ų | 87 | 109 Ų | 109 | 47% | 0.465 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -61.7 | -31.7 | -176.3 | -71.6 | 3.9 | 0 | 0 | 0 | 113.1 | Q388 N394 I395 | Q388-N392 PolarHBondContact NE2-OD1 3.37Å; Q388-N392 VanDerWaalsContact NE2-OD1 3.08Å; Q388-N392 WeakPolarHBondContact O-CB 3.24Å; Q388-N392 PolarHBondContact O-N 3.31Å; Q388-N392 PolarHBondContact O-OD1 3.06Å; N392-N394 VanDerWaalsContact C-N 3.31Å; N392-N394 PolarHBondContact O-N 3.47Å; N392-I395 PolarHBondContact O-N 3.39Å |
| 393 | N | 43.9 | Very low | 44.2 | Very low | 133 Ų | 133 | 112.9 Ų | 112.9 | 71% | 0.711 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | -19.4 | 179.1 | -84 | -62.9 | 0 | 0 | 0 | 114.2 | N389 V391 | N389-N393 PolarHBondContact O-ND2 3.45Å; V391-N393 VanDerWaalsContact C-N 3.26Å; V391-N393 PolarHBondContact O-N 2.9Å |
| 394 | N | 47.5 | Very low | 42.9 | Very low | 144 Ų | 144 | 114.3 Ų | 114.3 | 77% | 0.77 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | -5 | 177.9 | -93.3 | -4.6 | 0 | 0 | 0 | 114 | V391 N392 | V391-N394 PolarHBondContact O-N 3.36Å; V391-N394 VanDerWaalsContact O-N 3.14Å; N392-N394 VanDerWaalsContact C-N 3.31Å; N392-N394 PolarHBondContact O-N 3.47Å |
| 395 | I | 43.6 | Very low | 41.7 | Very low | 131 Ų | 131 | 114 Ų | 114 | 67% | 0.672 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -110.1 | 58.2 | 179.7 | -47.1 | -178.6 | 0 | 0 | 0 | 110 | V391 N392 | V391-I395 HydrophobicContact CG1-CD1 4.16Å; N392-I395 PolarHBondContact O-N 3.39Å |
| 396 | S | 36.3 | Very low | 40.6 | Very low | 111 Ų | 111 | 110.8 Ų | 110.8 | 78% | 0.776 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -145.6 | 16.1 | 171 | -80.7 | 0 | 0 | 0 | 0 | 114.3 | ||
| 397 | L | 39.8 | Very low | 40.3 | Very low | 175 Ų | 175 | 110.9 Ų | 110.9 | 92% | 0.916 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -141.3 | 115.4 | 171.3 | -155.1 | 74.8 | 0 | 0 | 0 | 110.1 | ||
| 398 | G | 32.1 | Very low | 40.4 | Very low | 84 Ų | 84 | 111.4 Ų | 111.4 | 87% | 0.866 | 74% | 0.736 | S | S | * | * | trans | 110.5 | 51.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 399 | G | 31.5 | Very low | 40.3 | Very low | 84 Ų | 84 | 111.5 Ų | 111.5 | 87% | 0.866 | 75% | 0.746 | S | S | * | * | trans | -94.7 | 110.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 400 | A | 30.2 | Very low | 39.3 | Very low | 107 Ų | 107 | 114.5 Ų | 114.5 | 88% | 0.884 | 76% | 0.761 | S | S | * | * | trans | -158 | 131.6 | 160.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 401 | A | 35.6 | Very low | 38.1 | Very low | 94 Ų | 94 | 115.9 Ų | 115.9 | 78% | 0.777 | 77% | 0.769 | S | S | * | * | trans | -123 | 146.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 402 | V | 31 | Very low | 37.8 | Very low | 148 Ų | 148 | 117.1 Ų | 117.1 | 90% | 0.897 | 78% | 0.779 | S | S | * | * | trans | -138.5 | 140.6 | 161.9 | -172.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 403 | V | 35.9 | Very low | 37.1 | Very low | 141 Ų | 141 | 119.3 Ų | 119.3 | 86% | 0.855 | 80% | 0.795 | S | S | * | * | trans | -125.8 | 136.5 | -179.3 | -178.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 404 | A | 31.6 | Very low | 36.4 | Very low | 99 Ų | 99 | 116.5 Ų | 116.5 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -153.8 | 149.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 405 | A | 30.6 | Very low | 35.8 | Very low | 106 Ų | 106 | 117.7 Ų | 117.7 | 88% | 0.876 | 80% | 0.797 | S | S | * | * | trans | -129.3 | 169.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 406 | A | 29.1 | Very low | 35 | Very low | 91 Ų | 91 | 114.6 Ų | 114.6 | 75% | 0.752 | 80% | 0.797 | S | S | * | * | trans | -107.7 | -173.9 | -169.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 407 | P | 49.2 | Very low | 34.6 | Very low | 120 Ų | 120 | 117.8 Ų | 117.8 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | cis | -124 | -120.5 | -18.6 | 21.1 | 4.6 | 0 | 0 | 0 | 113.4 | ||||
| 408 | P | 52.6 | Low | 33.9 | Very low | 110 Ų | 110 | 113.5 Ų | 113.5 | 71% | 0.714 | 79% | 0.794 | S | S | * | * | -114.4 | -154.5 | -117.1 | 43.3 | -25 | 0 | 0 | 0 | 112.5 | |||||
| 409 | P | 50.2 | Low | 33.5 | Very low | 106 Ų | 106 | 114.3 Ų | 114.3 | 69% | 0.688 | 79% | 0.792 | S | S | * | * | cis | -143.5 | -164.8 | -0.3 | 40.3 | -17.2 | 0 | 0 | 0 | 117.4 | ||||
| 410 | L | 27.2 | Very low | 33.2 | Very low | 162 Ų | 162 | 114.8 Ų | 114.8 | 85% | 0.848 | 79% | 0.788 | S | S | * | * | trans | 90.8 | 157.9 | 154.2 | -70.6 | 171.7 | 0 | 0 | 0 | 122.4 | ||||
| 411 | T | 27.2 | Very low | 33 | Very low | 125 Ų | 125 | 114.3 Ų | 114.3 | 77% | 0.767 | 78% | 0.784 | S | S | * | * | trans | -115.8 | -169.6 | -161.8 | 56.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 412 | P | 44.9 | Very low | 32.5 | Very low | 101 Ų | 101 | 117.3 Ų | 117.3 | 66% | 0.656 | 79% | 0.787 | S | S | * | * | cis | -144 | -166.7 | 6.7 | 45 | -24.6 | 0 | 0 | 0 | 117.4 | ||||
| 413 | T | 28.6 | Very low | 32.3 | Very low | 133 Ų | 133 | 115 Ų | 115 | 82% | 0.816 | 78% | 0.778 | S | S | * | * | trans | 67.3 | 150.5 | 159.1 | 53.5 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 414 | A | 30.2 | Very low | 31.8 | Very low | 74 Ų | 74 | 112.5 Ų | 112.5 | 61% | 0.612 | 77% | 0.772 | S | S | * | * | cis | -168 | 161.8 | -21.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 415 | N | 34 | Very low | 32.4 | Very low | 170 Ų | 170 | 113.7 Ų | 113.7 | 91% | 0.909 | 77% | 0.771 | S | S | * | * | trans | 66.5 | 142.5 | 170.3 | -51.7 | -22.8 | 0 | 0 | 0 | 117.1 | ||||
| 416 | G | 27.6 | Very low | 32.3 | Very low | 65 Ų | 65 | 112.3 Ų | 112.3 | 67% | 0.67 | 76% | 0.759 | S | S | * | * | cis | 153.3 | 143.4 | -12.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 417 | I | 27.6 | Very low | 32.3 | Very low | 178 Ų | 178 | 115 Ų | 115 | 91% | 0.913 | 76% | 0.762 | S | S | * | * | trans | 70.1 | 145.7 | 165.2 | -50.7 | 172.2 | 0 | 0 | 0 | 115.5 | ||||
| 418 | A | 24.6 | Very low | 31.4 | Very low | 85 Ų | 85 | 114.2 Ų | 114.2 | 70% | 0.702 | 76% | 0.759 | S | S | * | * | cis | -166.1 | 154.8 | -38.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 419 | A | 24.5 | Very low | 30.3 | Very low | 101 Ų | 101 | 115.9 Ų | 115.9 | 84% | 0.835 | 77% | 0.767 | S | S | * | * | trans | 25.1 | 129.9 | 157.4 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 420 | A | 25.2 | Very low | 29.3 | Very low | 94 Ų | 94 | 116.8 Ų | 116.8 | 78% | 0.777 | 78% | 0.775 | S | S | * | * | 157.5 | 136.4 | 101.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 421 | A | 25.7 | Very low | 29.4 | Very low | 97 Ų | 97 | 114 Ų | 114 | 80% | 0.802 | 78% | 0.775 | S | S | * | * | trans | 58.9 | 157.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 422 | D | 24.5 | Very low | 29.5 | Very low | 157 Ų | 157 | 117.7 Ų | 117.7 | 84% | 0.84 | 78% | 0.784 | S | S | * | * | cis | -156.5 | -177.3 | -3.1 | -134.7 | -15.9 | 0 | 0 | 0 | 107.2 | ||||
| 423 | S | 26.5 | Very low | 28.8 | Very low | 100 Ų | 100 | 117.8 Ų | 117.8 | 70% | 0.699 | 79% | 0.793 | S | S | * | * | cis | -158.4 | 159 | 1.3 | 53.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 424 | A | 27 | Very low | 28.7 | Very low | 89 Ų | 89 | 121 Ų | 121 | 74% | 0.736 | 80% | 0.799 | S | S | * | * | trans | -92 | -173.7 | 160.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 425 | P | 43.9 | Very low | 28.6 | Very low | 123 Ų | 123 | 121.7 Ų | 121.7 | 80% | 0.799 | 81% | 0.805 | S | S | * | * | cis | -124.8 | -164.6 | 11.7 | 41.7 | -20.9 | 0 | 0 | 0 | 112.4 | ||||
| 426 | A | 27.4 | Very low | 29.5 | Very low | 77 Ų | 77 | 119.2 Ų | 119.2 | 64% | 0.636 | 80% | 0.798 | S | S | * | * | cis | -156.5 | 151.6 | 14.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 427 | D | 29.1 | Very low | 30.2 | Very low | 149 Ų | 149 | 122.4 Ų | 122.4 | 80% | 0.797 | 81% | 0.807 | S | S | * | * | 37.8 | 148.9 | 122.1 | -59.6 | -32.1 | 0 | 0 | 0 | 122.5 | |||||
| 428 | S | 31 | Very low | 30.3 | Very low | 103 Ų | 103 | 119.1 Ų | 119.1 | 72% | 0.72 | 81% | 0.806 | S | S | * | * | cis | -171.1 | 157.3 | -9.6 | 50.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 429 | V | 28.6 | Very low | 30.4 | Very low | 145 Ų | 145 | 118.4 Ų | 118.4 | 88% | 0.879 | 81% | 0.807 | S | S | * | * | trans | -151.5 | 131 | 156.4 | -165.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 430 | S | 30 | Very low | 30.5 | Very low | 124 Ų | 124 | 121.6 Ų | 121.6 | 87% | 0.867 | 81% | 0.81 | S | S | * | * | trans | -165.4 | 143.7 | 168 | -71.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 431 | A | 29 | Very low | 30.6 | Very low | 103 Ų | 103 | 123.3 Ų | 123.3 | 85% | 0.851 | 81% | 0.811 | S | S | * | * | trans | -163.4 | 133.5 | 164.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 432 | E | 29.7 | Very low | 31.8 | Very low | 204 Ų | 204 | 124.2 Ų | 124.2 | 95% | 0.953 | 81% | 0.809 | S | S | * | * | trans | -113.8 | 179 | 168.2 | -63.4 | -176 | 119.6 | 0 | 0 | 110 | ||||
| 433 | A | 29.3 | Very low | 32.1 | Very low | 102 Ų | 102 | 121.1 Ų | 121.1 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | trans | -148.5 | 139.2 | 176 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 434 | E | 26.9 | Very low | 32.1 | Very low | 201 Ų | 201 | 123.5 Ų | 123.5 | 94% | 0.939 | 81% | 0.81 | S | S | * | * | trans | -97.6 | -176.5 | 172.1 | -69.9 | -170.2 | 109.2 | 0 | 0 | 112.7 | ||||
| 435 | A | 27.9 | Very low | 32.3 | Very low | 89 Ų | 89 | 123.9 Ų | 123.9 | 74% | 0.736 | 81% | 0.808 | S | S | * | * | trans | -139.6 | -172.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 436 | P | 53.5 | Low | 31.6 | Very low | 118 Ų | 118 | 122.7 Ų | 122.7 | 77% | 0.766 | 81% | 0.808 | S | S | * | * | cis | -114.7 | -168.5 | -32.3 | 38.8 | -24.2 | 0 | 0 | 0 | 110.7 | ||||
| 437 | P | 43.1 | Very low | 31.7 | Very low | 132 Ų | 132 | 127 Ų | 127 | 86% | 0.857 | 82% | 0.815 | S | S | * | * | -147.7 | -170.3 | 95.7 | 38.2 | -19.5 | 0 | 0 | 0 | 114.5 | |||||
| 438 | A | 29.5 | Very low | 32.5 | Very low | 108 Ų | 108 | 124.4 Ų | 124.4 | 89% | 0.893 | 81% | 0.806 | S | S | * | * | trans | -103.8 | 163.6 | -167.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 439 | G | 25.3 | Very low | 32.4 | Very low | 71 Ų | 71 | 125.5 Ų | 125.5 | 73% | 0.732 | 81% | 0.808 | S | S | * | * | trans | 175.8 | 105.5 | 168.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 440 | D | 26.5 | Very low | 32.5 | Very low | 168 Ų | 168 | 126.1 Ų | 126.1 | 90% | 0.898 | 80% | 0.802 | S | S | * | * | trans | 59 | 161.2 | 155.8 | -70.4 | -24 | 0 | 0 | 0 | 124 | ||||
| 441 | T | 27.8 | Very low | 32.4 | Very low | 129 Ų | 129 | 127.2 Ų | 127.2 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | trans | -131.9 | -169.8 | -174.9 | 61.1 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 442 | P | 50.8 | Low | 32.3 | Very low | 116 Ų | 116 | 125.4 Ų | 125.4 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | cis | -138.5 | -169.5 | -3.3 | 40.9 | -21 | 0 | 0 | 0 | 115.6 | ||||
| 443 | A | 30.4 | Very low | 32.4 | Very low | 93 Ų | 93 | 124.3 Ų | 124.3 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | trans | 77 | 157.5 | 160.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 444 | D | 28.2 | Very low | 32.5 | Very low | 149 Ų | 149 | 126.5 Ų | 126.5 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | cis | -144.6 | -175.4 | 7.7 | -155.2 | -3.8 | 0 | 0 | 0 | 113.6 | ||||
| 445 | S | 31.6 | Very low | 32.9 | Very low | 98 Ų | 98 | 121.9 Ų | 121.9 | 69% | 0.685 | 78% | 0.778 | S | S | * | * | trans | -46.7 | 170.9 | -179.5 | 67.3 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 446 | A | 28.4 | Very low | 33.2 | Very low | 97 Ų | 97 | 126.7 Ų | 126.7 | 80% | 0.802 | 79% | 0.785 | S | S | * | * | cis | -156.6 | -179.9 | 27.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 447 | H | 28.6 | Very low | 32.2 | Very low | 169 Ų | 169 | 130 Ų | 130 | 78% | 0.782 | 79% | 0.79 | S | S | * | * | trans | -103.4 | -172.2 | -179.3 | -115.3 | -39.4 | 0 | 0 | 0 | 110.5 | ||||
| 448 | P | 46.5 | Very low | 31.7 | Very low | 94 Ų | 94 | 128.4 Ų | 128.4 | 61% | 0.61 | 79% | 0.788 | S | S | * | * | cis | -141.2 | 175.9 | -12.8 | 34.8 | -13.6 | 0 | 0 | 0 | 117.5 | ||||
| 449 | T | 29 | Very low | 32.1 | Very low | 126 Ų | 126 | 129.2 Ų | 129.2 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | trans | 67.1 | 153.5 | 150.3 | 40.1 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 450 | Q | 30.9 | Very low | 32.7 | Very low | 158 Ų | 158 | 130.5 Ų | 130.5 | 74% | 0.738 | 79% | 0.786 | S | S | * | * | cis | -153.8 | 160.5 | 15 | -140.2 | 179.6 | 0.3 | 0 | 0 | 113.6 | ||||
| 451 | N | 28.5 | Very low | 33.2 | Very low | 146 Ų | 146 | 128.6 Ų | 128.6 | 78% | 0.781 | 78% | 0.78 | S | S | * | * | trans | 63.5 | 121.1 | 157.2 | -64.7 | -13.9 | 0 | 0 | 0 | 122.3 | ||||
| 452 | G | 27.2 | Very low | 34 | Very low | 66 Ų | 66 | 131.1 Ų | 131.1 | 68% | 0.68 | 78% | 0.783 | S | S | * | * | 120.8 | 105.8 | 117.2 | 0 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 453 | Q | 31.8 | Very low | 33.7 | Very low | 181 Ų | 181 | 132.4 Ų | 132.4 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | trans | 64.9 | 146.8 | 151 | -69.3 | 172.9 | -86.1 | 0 | 0 | 117.9 | ||||
| 454 | D | 31.3 | Very low | 35 | Very low | 148 Ų | 148 | 132.1 Ų | 132.1 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | cis | -123.7 | 175.4 | -0.7 | -83 | -54.2 | 0 | 0 | 0 | 111.6 | ||||
| 455 | A | 33.7 | Very low | 36.9 | Very low | 103 Ų | 103 | 127.5 Ų | 127.5 | 85% | 0.851 | 75% | 0.753 | S | S | * | * | trans | -104.3 | 116.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 456 | E | 34.7 | Very low | 37.7 | Very low | 191 Ų | 191 | 131.3 Ų | 131.3 | 89% | 0.893 | 76% | 0.757 | S | S | * | * | trans | -96.7 | 129.2 | 173 | -159.9 | 164.7 | -137.7 | 0 | 0 | 110 | A458 | E456-A458 PolarHBondContact O-N 3.03Š| ||
| 457 | E | 33.3 | Very low | 39.3 | Very low | 187 Ų | 187 | 133.4 Ų | 133.4 | 87% | 0.874 | 75% | 0.75 | S | S | * | * | trans | -83.1 | 86.7 | -166.5 | -168.8 | 168.8 | -147.9 | 0 | 0 | 111.2 | V459 | E457-V459 PolarHBondContact O-N 3.34Š| ||
| 458 | A | 32.8 | Very low | 41 | Very low | 98 Ų | 98 | 129 Ų | 129 | 81% | 0.81 | 73% | 0.73 | S | S | * | * | trans | -62.9 | 101.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | E456 A460 | E456-A458 PolarHBondContact O-N 3.03Å; A458-A460 PolarHBondContact O-N 2.84Å | ||
| 459 | V | 36.3 | Very low | 41.4 | Very low | 125 Ų | 125 | 126.9 Ų | 126.9 | 76% | 0.758 | 72% | 0.721 | S | S | * | * | trans | -60 | 121.6 | 174.2 | 176.4 | 0 | 0 | 0 | 0 | 109.8 | E457 T461 | E457-V459 PolarHBondContact O-N 3.34Å; V459-T461 PolarHBondContact O-N 2.87Å | ||
| 460 | A | 39.1 | Very low | 42.6 | Very low | 99 Ų | 99 | 123.1 Ų | 123.1 | 82% | 0.818 | 70% | 0.702 | S | S | * | * | trans | -68.8 | 100.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | A458 | A458-A460 PolarHBondContact O-N 2.84Š| ||
| 461 | T | 37.1 | Very low | 44.3 | Very low | 128 Ų | 128 | 120.3 Ų | 120.3 | 79% | 0.785 | 69% | 0.689 | S | S | * | * | trans | -86.8 | 116.5 | 167 | 18.4 | 0 | 0 | 0 | 0 | 110 | V459 | V459-T461 PolarHBondContact O-N 2.87Š| ||
| 462 | E | 43.7 | Very low | 46 | Very low | 182 Ų | 182 | 118.5 Ų | 118.5 | 85% | 0.85 | 67% | 0.671 | S | S | * | * | trans | -65.5 | 134 | 174.4 | -63.4 | -178.1 | 140 | 0 | 0 | 110.4 | I464 | E462-I464 PolarHBondContact O-N 2.7Š| ||
| 463 | T | 44.4 | Very low | 47.7 | Very low | 143 Ų | 143 | 120 Ų | 120 | 88% | 0.877 | 66% | 0.663 | S | S | * | * | trans | -76.5 | 95.4 | -179.5 | 52.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 464 | I | 58 | Low | 49.4 | Very low | 87 Ų | 87 | 117.6 Ų | 117.6 | 45% | 0.446 | 65% | 0.653 | S | S | . | * | trans | -52 | 139.1 | 173.7 | -59.5 | 156.2 | 0 | 0 | 0 | 110 | E462 E468 A469 R472 | E462-I464 PolarHBondContact O-N 2.7Å; I464-E468 HydrophobicContact CG2-CB 3.96Å; I464-E468 HydrophobicContact CG2-CG 3.94Å; I464-A469 HydrophobicContact CG2-CB 4.19Å; I464-R472 VanDerWaalsContact CD1-NH1 3.33Å | ||
| 465 | S | 67.4 | Low | 51 | Low | 51 Ų | 51 | 112 Ų | 112 | 36% | 0.357 | 62% | 0.623 | S | S | . | * | trans | -70.2 | 160.8 | 178.8 | 70.8 | 0 | 0 | 0 | 0 | 111.8 | E467 E468 A469 | S465-E467 VanDerWaalsContact C-N 3.26Å; S465-E467 PolarHBondContact O-N 2.75Å; S465-E468 PolarHBondContact O-N 2.58Å; S465-E468 WeakPolarHBondContact OG-CB 3.43Å; S465-E468 PolarHBondContact OG-N 3.1Å; S465-E468 VanDerWaalsContact OG-N 3.12Å; S465-A469 VanDerWaalsContact O-CB 3.28Å; S465-A469 WeakPolarHBondContact O-CB 3.45Å; S465-A469 PolarHBondContact O-N 3.49Å | ||
| 466 | K | 50 | Low | 52.5 | Low | 178 Ų | 178 | 109.4 Ų | 109.4 | 77% | 0.774 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -66.9 | -35.2 | -179.8 | -71.6 | -173.5 | 176.3 | -176 | 0 | 111.5 | A470 | K466-A470 WeakPolarHBondContact O-CB 3.49Å; K466-A470 PolarHBondContact O-N 3.04Å |
| 467 | E | 61.6 | Low | 54 | Low | 141 Ų | 141 | 105.9 Ų | 105.9 | 66% | 0.659 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -67.6 | -46.6 | 178.9 | -60.7 | 69.1 | -154.7 | 0 | 0 | 110.3 | S465 A470 E471 | S465-E467 VanDerWaalsContact C-N 3.26Å; S465-E467 PolarHBondContact O-N 2.75Å; E467-A470 PolarHBondContact O-N 3.17Å; E467-E471 PolarHBondContact O-N 3.27Å |
| 468 | E | 63.1 | Low | 55.9 | Low | 78 Ų | 78 | 100.4 Ų | 100.4 | 36% | 0.364 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -69.3 | -35.5 | 176.3 | -174.6 | -177.2 | -171.4 | 0 | 0 | 112.1 | I464 S465 A470 E471 R472 | I464-E468 HydrophobicContact CG2-CB 3.96Å; I464-E468 HydrophobicContact CG2-CG 3.94Å; S465-E468 PolarHBondContact O-N 2.58Å; S465-E468 WeakPolarHBondContact OG-CB 3.43Å; S465-E468 PolarHBondContact OG-N 3.1Å; S465-E468 VanDerWaalsContact OG-N 3.12Å; E468-A470 VanDerWaalsContact C-N 3.32Å; E468-E471 PolarHBondContact O-N 2.95Å; E468-R472 WeakPolarHBondContact O-CB 3.46Å; E468-R472 WeakPolarHBondContact O-CG 3.46Å; E468-R472 PolarHBondContact O-N 3Å; E468-R472 IonicContact OE1-CZ 3.32Å; E468-R472 IonicContact OE1-NE 3.51Å; E468-R472 PolarHBondContact OE1-NE 3.48Å; E468-R472 IonicContact OE1-NH2 3.81Å; E468-R472 PolarHBondContact OE1-NH2 3.09Å |
| 469 | A | 54.7 | Low | 57.5 | Low | 49 Ų | 49 | 96.3 Ų | 96.3 | 41% | 0.405 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.9 | -36.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I464 S465 L473 | I464-A469 HydrophobicContact CG2-CB 4.19Å; S465-A469 VanDerWaalsContact O-CB 3.28Å; S465-A469 WeakPolarHBondContact O-CB 3.45Å; S465-A469 PolarHBondContact O-N 3.49Å; A469-L473 WeakPolarHBondContact O-CB 3.44Å; A469-L473 PolarHBondContact O-N 2.76Å; A469-L473 VanDerWaalsContact O-N 3.1Å |
| 470 | A | 54.2 | Low | 58.8 | Low | 47 Ų | 47 | 94.5 Ų | 94.5 | 39% | 0.388 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -70.7 | -42.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | K466 E467 E468 L473 M474 | K466-A470 WeakPolarHBondContact O-CB 3.49Å; K466-A470 PolarHBondContact O-N 3.04Å; E467-A470 PolarHBondContact O-N 3.17Å; E468-A470 VanDerWaalsContact C-N 3.32Å; A470-L473 PolarHBondContact O-N 3.16Å; A470-M474 WeakPolarHBondContact O-CG 3.46Å; A470-M474 PolarHBondContact O-N 3.08Å |
| 471 | E | 68.5 | Low | 60.3 | Low | 99 Ų | 99 | 92.7 Ų | 92.7 | 46% | 0.463 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.6 | -48.6 | 175.4 | -165.1 | -179.1 | 168.7 | 0 | 0 | 110.7 | R169 E467 E468 L473 M474 E475 | R169-E471 IonicContact CZ-OE1 3.93Å; R169-E471 IonicContact NH1-OE1 2.72Å; R169-E471 IonicContact NH2-OE1 3.5Å; R169-E471 PolarHBondContact NH2-OE1 2.83Å; E467-E471 PolarHBondContact O-N 3.27Å; E468-E471 PolarHBondContact O-N 2.95Å; E471-L473 VanDerWaalsContact C-N 3.26Å; E471-L473 PolarHBondContact O-N 2.87Å; E471-M474 PolarHBondContact O-N 2.78Å; E471-E475 WeakPolarHBondContact O-CG 3.42Å; E471-E475 PolarHBondContact O-N 3.04Å |
| 472 | R | 63.3 | Low | 61.7 | Low | 108 Ų | 108 | 89.2 Ų | 89.2 | 41% | 0.408 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.6 | -31.9 | 176.6 | -70.8 | 173.3 | -175.4 | -160.2 | 9.3 | 113.6 | I464 E468 T476 | I464-R472 VanDerWaalsContact CD1-NH1 3.33Å; E468-R472 WeakPolarHBondContact O-CB 3.46Å; E468-R472 WeakPolarHBondContact O-CG 3.46Å; E468-R472 PolarHBondContact O-N 3Å; E468-R472 IonicContact OE1-CZ 3.32Å; E468-R472 IonicContact OE1-NE 3.51Å; E468-R472 PolarHBondContact OE1-NE 3.48Å; E468-R472 IonicContact OE1-NH2 3.81Å; E468-R472 PolarHBondContact OE1-NH2 3.09Å; R472-T476 WeakPolarHBondContact O-CB 3.2Å; R472-T476 PolarHBondContact O-N 3.46Å; R472-T476 PolarHBondContact O-OG1 3.49Å |
| 473 | L | 63.4 | Low | 62.7 | Low | 97 Ų | 97 | 85.7 Ų | 85.7 | 51% | 0.508 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -70.5 | -46.9 | 175.6 | -176.4 | 145.4 | 0 | 0 | 0 | 110.6 | A469 A470 E471 E475 T476 E477 | A469-L473 WeakPolarHBondContact O-CB 3.44Å; A469-L473 PolarHBondContact O-N 2.76Å; A469-L473 VanDerWaalsContact O-N 3.1Å; A470-L473 PolarHBondContact O-N 3.16Å; E471-L473 VanDerWaalsContact C-N 3.26Å; E471-L473 PolarHBondContact O-N 2.87Å; L473-E475 VanDerWaalsContact C-N 3.32Å; L473-E475 PolarHBondContact O-N 3.43Å; L473-T476 PolarHBondContact O-N 2.95Å; L473-T476 VanDerWaalsContact O-N 3.12Å; L473-E477 HydrophobicContact CD2-CG 4.24Å; L473-E477 WeakPolarHBondContact O-CG 3.28Å; L473-E477 PolarHBondContact O-N 3.49Å |
| 474 | M | 67.1 | Low | 63.8 | Low | 130 Ų | 130 | 84.7 Ų | 84.7 | 64% | 0.64 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -62.1 | -37.7 | 174.4 | -67.6 | 179.8 | 180 | 0 | 0 | 112.3 | A470 E471 E477 K478 | A470-M474 WeakPolarHBondContact O-CG 3.46Å; A470-M474 PolarHBondContact O-N 3.08Å; E471-M474 PolarHBondContact O-N 2.78Å; M474-E477 PolarHBondContact O-N 2.9Å; M474-K478 VanDerWaalsContact O-CB 3.31Å; M474-K478 WeakPolarHBondContact O-CB 3.49Å; M474-K478 PolarHBondContact O-N 3.27Å |
| 475 | E | 64.5 | Low | 64.6 | Low | 32 Ų | 32 | 83 Ų | 83 | 15% | 0.15 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -58.7 | -47.3 | 170.6 | -73.2 | 173.1 | -115.1 | 0 | 0 | 111.6 | R169 E471 L473 K478 I479 | R169-E475 IonicContact CZ-OE1 3.4Å; R169-E475 IonicContact CZ-OE2 3.51Å; R169-E475 IonicContact NE-OE1 3.98Å; R169-E475 IonicContact NE-OE2 2.77Å; R169-E475 PolarHBondContact NE-OE2 2.62Å; R169-E475 IonicContact NH2-OE1 2.65Å; R169-E475 PolarHBondContact NH2-OE1 2.78Å; R169-E475 IonicContact NH2-OE2 3.4Å; R169-E475 PolarHBondContact NH2-OE2 2.86Å; E471-E475 WeakPolarHBondContact O-CG 3.42Å; E471-E475 PolarHBondContact O-N 3.04Å; L473-E475 VanDerWaalsContact C-N 3.32Å; L473-E475 PolarHBondContact O-N 3.43Å; E475-K478 PolarHBondContact O-N 3.44Å; E475-I479 WeakPolarHBondContact O-CB 3.41Å; E475-I479 WeakPolarHBondContact O-CD1 3.31Å; E475-I479 WeakPolarHBondContact O-CG1 3.5Å; E475-I479 PolarHBondContact O-N 3.39Å |
| 476 | T | 65.1 | Low | 65.3 | Low | 48 Ų | 48 | 83.8 Ų | 83.8 | 29% | 0.294 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -67.1 | -39.7 | -178.9 | -57.9 | 0 | 0 | 0 | 0 | 111.1 | R472 L473 I479 I480 | R472-T476 WeakPolarHBondContact O-CB 3.2Å; R472-T476 PolarHBondContact O-N 3.46Å; R472-T476 PolarHBondContact O-OG1 3.49Å; L473-T476 PolarHBondContact O-N 2.95Å; L473-T476 VanDerWaalsContact O-N 3.12Å; T476-I479 PolarHBondContact O-N 3.24Å; T476-I480 HydrophobicContact CG2-CD1 3.92Å; T476-I480 WeakPolarHBondContact O-CB 3.23Å; T476-I480 WeakPolarHBondContact O-CD1 3.45Å; T476-I480 VanDerWaalsContact O-CG1 3.22Å; T476-I480 WeakPolarHBondContact O-CG1 3.41Å; T476-I480 PolarHBondContact O-N 3.1Å |
| 477 | E | 66.1 | Low | 66.5 | Low | 117 Ų | 117 | 79.5 Ų | 79.5 | 55% | 0.547 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63.9 | -43.8 | 173.5 | -72.3 | -180 | 157.6 | 0 | 0 | 112 | L473 M474 I480 A481 | L473-E477 HydrophobicContact CD2-CG 4.24Å; L473-E477 WeakPolarHBondContact O-CG 3.28Å; L473-E477 PolarHBondContact O-N 3.49Å; M474-E477 PolarHBondContact O-N 2.9Å; E477-I480 PolarHBondContact O-N 3.23Å; E477-A481 PolarHBondContact O-N 3.38Å |
| 478 | K | 73.3 | Confident | 67.6 | Low | 71 Ų | 71 | 80.5 Ų | 80.5 | 31% | 0.309 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -59.2 | -45.9 | 173.3 | 176.1 | 179.7 | 171.9 | -179.9 | 0 | 111.6 | E179 D180 M474 E475 I480 A481 E482 | E179-K478 IonicContact OE1-NZ 3.88Å; E179-K478 PolarHBondContact OE1-NZ 2.74Å; D180-K478 WeakPolarHBondContact OD1-CE 3.45Å; D180-K478 IonicContact OD1-NZ 3.37Å; D180-K478 PolarHBondContact OD1-NZ 3.05Å; D180-K478 IonicContact OD2-NZ 2.83Å; M474-K478 VanDerWaalsContact O-CB 3.31Å; M474-K478 WeakPolarHBondContact O-CB 3.49Å; M474-K478 PolarHBondContact O-N 3.27Å; E475-K478 PolarHBondContact O-N 3.44Å; K478-I480 PolarHBondContact O-N 3Å; K478-A481 PolarHBondContact O-N 2.87Å; K478-E482 PolarHBondContact O-N 3.11Å |
| 479 | I | 65.9 | Low | 68.5 | Low | 13 Ų | 13 | 80.5 Ų | 80.5 | 7% | 0.067 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -61.4 | -43.3 | 175.7 | -71.7 | 164.6 | 0 | 0 | 0 | 111 | H171 L174 Y177 E475 T476 A481 E482 L483 | H171-I479 HydrophobicContact CB-CD1 4.25Å; L174-I479 HydrophobicContact CD1-CG2 3.57Å; Y177-I479 HydrophobicContact CE1-CD1 4.22Å; Y177-I479 HydrophobicContact CE2-CD1 4.45Å; E475-I479 WeakPolarHBondContact O-CB 3.41Å; E475-I479 WeakPolarHBondContact O-CD1 3.31Å; E475-I479 WeakPolarHBondContact O-CG1 3.5Å; E475-I479 PolarHBondContact O-N 3.39Å; T476-I479 PolarHBondContact O-N 3.24Å; I479-A481 VanDerWaalsContact C-N 3.32Å; I479-A481 PolarHBondContact O-N 2.92Å; I479-E482 PolarHBondContact O-N 2.89Å; I479-L483 HydrophobicContact CG2-CD1 3.8Å; I479-L483 HydrophobicContact CG2-CG 4.36Å; I479-L483 WeakPolarHBondContact O-CB 3.45Å; I479-L483 VanDerWaalsContact O-CG 3.26Å; I479-L483 WeakPolarHBondContact O-CG 3.23Å; I479-L483 PolarHBondContact O-N 2.85Å |
| 480 | I | 65.5 | Low | 69.9 | Low | 86 Ų | 86 | 79.4 Ų | 79.4 | 44% | 0.441 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64 | -39.2 | 177.3 | -72.1 | 165.3 | 0 | 0 | 0 | 110.6 | T476 E477 K478 L483 N484 | T476-I480 HydrophobicContact CG2-CD1 3.92Å; T476-I480 WeakPolarHBondContact O-CB 3.23Å; T476-I480 WeakPolarHBondContact O-CD1 3.45Å; T476-I480 VanDerWaalsContact O-CG1 3.22Å; T476-I480 WeakPolarHBondContact O-CG1 3.41Å; T476-I480 PolarHBondContact O-N 3.1Å; E477-I480 PolarHBondContact O-N 3.23Å; K478-I480 PolarHBondContact O-N 3Å; I480-L483 PolarHBondContact O-N 3.01Å; I480-N484 WeakPolarHBondContact CG2-ND2 3.35Å; I480-N484 VanDerWaalsContact O-CB 3.31Å; I480-N484 WeakPolarHBondContact O-CB 3.35Å; I480-N484 PolarHBondContact O-N 2.96Å; I480-N484 PolarHBondContact O-ND2 2.88Å |
| 481 | A | 68.6 | Low | 71.3 | Confident | 62 Ų | 62 | 79.7 Ų | 79.7 | 51% | 0.512 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.4 | -44.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | E477 K478 I479 L483 N484 E485 | E477-A481 PolarHBondContact O-N 3.38Å; K478-A481 PolarHBondContact O-N 2.87Å; I479-A481 VanDerWaalsContact C-N 3.32Å; I479-A481 PolarHBondContact O-N 2.92Å; A481-L483 VanDerWaalsContact C-N 3.32Å; A481-L483 PolarHBondContact O-N 3.35Å; A481-N484 PolarHBondContact O-N 2.97Å; A481-E485 PolarHBondContact O-N 3.29Å |
| 482 | E | 67.9 | Low | 72.1 | Confident | 55 Ų | 55 | 82.6 Ų | 82.6 | 26% | 0.257 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.7 | -34.3 | 174.4 | -75.9 | -177.2 | -139.9 | 0 | 0 | 113.4 | K183 K478 I479 | K183-E482 IonicContact NZ-OE2 2.57Å; K183-E482 PolarHBondContact NZ-OE2 3.34Å; K478-E482 PolarHBondContact O-N 3.11Å; I479-E482 PolarHBondContact O-N 2.89Å |
| 483 | L | 65 | Low | 73.1 | Confident | 108 Ų | 108 | 81.4 Ų | 81.4 | 57% | 0.565 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -75.9 | -30.9 | 177.2 | -72 | 171.5 | 0 | 0 | 0 | 112.4 | L174 I479 I480 A481 | L174-L483 HydrophobicContact CD1-CD1 4.48Å; I479-L483 HydrophobicContact CG2-CD1 3.8Å; I479-L483 HydrophobicContact CG2-CG 4.36Å; I479-L483 WeakPolarHBondContact O-CB 3.45Å; I479-L483 VanDerWaalsContact O-CG 3.26Å; I479-L483 WeakPolarHBondContact O-CG 3.23Å; I479-L483 PolarHBondContact O-N 2.85Å; I480-L483 PolarHBondContact O-N 3.01Å; A481-L483 VanDerWaalsContact C-N 3.32Å; A481-L483 PolarHBondContact O-N 3.35Å |
| 484 | N | 67.6 | Low | 74 | Confident | 121 Ų | 121 | 77.7 Ų | 77.7 | 65% | 0.647 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -85 | -8.3 | 176.4 | -69.7 | -23.6 | 0 | 0 | 0 | 113.7 | I480 A481 T486 | I480-N484 WeakPolarHBondContact CG2-ND2 3.35Å; I480-N484 VanDerWaalsContact O-CB 3.31Å; I480-N484 WeakPolarHBondContact O-CB 3.35Å; I480-N484 PolarHBondContact O-N 2.96Å; I480-N484 PolarHBondContact O-ND2 2.88Å; A481-N484 PolarHBondContact O-N 2.97Å; N484-T486 PolarHBondContact O-N 3.15Å |
| 485 | E | 74.8 | Confident | 74.7 | Confident | 51 Ų | 51 | 76.9 Ų | 76.9 | 24% | 0.238 | 38% | 0.376 | C | S | . | . | trans | -58 | 122 | 176 | -171.3 | 178.4 | -132.5 | 0 | 0 | 110.1 | A481 E489 K490 K493 | A481-E485 PolarHBondContact O-N 3.29Å; E485-E489 HydrophobicContact CG-CB 3.95Å; E485-K490 HydrophobicContact CB-CG 4.41Å; E485-K490 HydrophobicContact CG-CG 3.88Å; E485-K490 VanDerWaalsContact O-CE 3.27Å; E485-K490 WeakPolarHBondContact O-CE 3.36Å; E485-K490 WeakPolarHBondContact OE2-CG 3.43Å; E485-K493 WeakPolarHBondContact OE1-CD 3.37Å; E485-K493 IonicContact OE1-NZ 2.87Å; E485-K493 PolarHBondContact OE1-NZ 2.99Å; E485-K493 IonicContact OE2-NZ 3.8Å; E485-K493 PolarHBondContact OE2-NZ 3.05Å | ||
| 486 | T | 80.4 | Confident | 75.5 | Confident | 69 Ų | 69 | 78.9 Ų | 78.9 | 42% | 0.423 | 39% | 0.394 | S | S | . | . | trans | -70.4 | 158.3 | -171.8 | 64.7 | 0 | 0 | 0 | 0 | 112 | N484 E488 E489 K490 | N484-T486 PolarHBondContact O-N 3.15Å; T486-E488 PolarHBondContact O-N 3.04Å; T486-E489 WeakPolarHBondContact CB-OE2 3.21Å; T486-E489 WeakPolarHBondContact CG2-OE2 3.26Å; T486-E489 PolarHBondContact N-OE2 3.4Å; T486-E489 PolarHBondContact O-N 3.06Å; T486-E489 VanDerWaalsContact O-N 3.16Å; T486-E489 WeakPolarHBondContact OG1-CB 3.17Å; T486-E489 VanDerWaalsContact OG1-CD 3.28Å; T486-E489 VanDerWaalsContact OG1-CG 3.25Å; T486-E489 WeakPolarHBondContact OG1-CG 3.42Å; T486-E489 PolarHBondContact OG1-N 3.07Å; T486-E489 PolarHBondContact OG1-OE2 3.49Å; T486-K490 WeakPolarHBondContact O-CG 3.48Å; T486-K490 PolarHBondContact O-N 2.95Å | ||
| 487 | W | 77.1 | Confident | 76.3 | Confident | 87 Ų | 87 | 77.7 Ų | 77.7 | 33% | 0.33 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.1 | -34.6 | 178.3 | -176 | -109.2 | 0 | 0 | 0 | 112.8 | A142 E143 A185 K490 L491 | A142-W487 WeakPolarHBondContact O-CH2 3.32Å; E143-W487 HydrophobicContact CG-CZ3 4Å; A185-W487 HydrophobicContact CB-CE3 4.21Å; A185-W487 HydrophobicContact CB-CH2 3.47Å; A185-W487 VanDerWaalsContact CB-CH2 3.47Å; A185-W487 HydrophobicContact CB-CZ2 4.03Å; A185-W487 HydrophobicContact CB-CZ3 3.56Å; W487-K490 PolarHBondContact O-N 3.34Å; W487-L491 WeakPolarHBondContact O-CB 3.32Å; W487-L491 PolarHBondContact O-N 3.47Å |
| 488 | E | 83.1 | Confident | 76.7 | Confident | 162 Ų | 162 | 77 Ų | 77 | 76% | 0.757 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -68.1 | -40.8 | 175.9 | -63.6 | 178.8 | -173.9 | 0 | 0 | 111.6 | T486 L491 R492 | T486-E488 PolarHBondContact O-N 3.04Å; E488-L491 PolarHBondContact O-N 2.79Å; E488-R492 WeakPolarHBondContact O-CB 3.41Å; E488-R492 PolarHBondContact O-N 2.87Å |
| 489 | E | 83.4 | Confident | 76.9 | Confident | 78 Ų | 78 | 79.2 Ų | 79.2 | 36% | 0.364 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -65.9 | -41.6 | 174.4 | -71.7 | 166.1 | 128.3 | 0 | 0 | 112 | E485 T486 R492 K493 | E485-E489 HydrophobicContact CG-CB 3.95Å; T486-E489 WeakPolarHBondContact CB-OE2 3.21Å; T486-E489 WeakPolarHBondContact CG2-OE2 3.26Å; T486-E489 PolarHBondContact N-OE2 3.4Å; T486-E489 PolarHBondContact O-N 3.06Å; T486-E489 VanDerWaalsContact O-N 3.16Å; T486-E489 WeakPolarHBondContact OG1-CB 3.17Å; T486-E489 VanDerWaalsContact OG1-CD 3.28Å; T486-E489 VanDerWaalsContact OG1-CG 3.25Å; T486-E489 WeakPolarHBondContact OG1-CG 3.42Å; T486-E489 PolarHBondContact OG1-N 3.07Å; T486-E489 PolarHBondContact OG1-OE2 3.49Å; E489-R492 PolarHBondContact O-N 3.19Å; E489-K493 VanDerWaalsContact O-CB 3.24Å; E489-K493 WeakPolarHBondContact O-CB 3.37Å; E489-K493 PolarHBondContact O-N 3.19Å |
| 490 | K | 83.9 | Confident | 77.4 | Confident | 26 Ų | 26 | 82.5 Ų | 82.5 | 11% | 0.113 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -63.1 | -40.2 | 174.9 | -71.1 | 178 | 176.1 | 179.9 | 0 | 112.5 | E143 A185 E485 T486 W487 K493 T494 | E143-K490 WeakPolarHBondContact OE1-CD 3.31Å; E143-K490 WeakPolarHBondContact OE1-CE 3.02Å; E143-K490 IonicContact OE1-NZ 2.72Å; E143-K490 PolarHBondContact OE1-NZ 3.33Å; E143-K490 IonicContact OE2-NZ 3.6Å; A185-K490 HydrophobicContact CB-CB 4Å; E485-K490 HydrophobicContact CB-CG 4.41Å; E485-K490 HydrophobicContact CG-CG 3.88Å; E485-K490 VanDerWaalsContact O-CE 3.27Å; E485-K490 WeakPolarHBondContact O-CE 3.36Å; E485-K490 WeakPolarHBondContact OE2-CG 3.43Å; T486-K490 WeakPolarHBondContact O-CG 3.48Å; T486-K490 PolarHBondContact O-N 2.95Å; W487-K490 PolarHBondContact O-N 3.34Å; K490-K493 WeakPolarHBondContact O-CB 3.38Å; K490-K493 PolarHBondContact O-N 3.01Å; K490-T494 PolarHBondContact O-N 2.81Å; K490-T494 PolarHBondContact O-OG1 2.87Å |
| 491 | L | 83.4 | Confident | 77.5 | Confident | 53 Ų | 53 | 79.5 Ų | 79.5 | 28% | 0.277 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -65.8 | -48.9 | 175.8 | -172.5 | 63.8 | 0 | 0 | 0 | 111 | T187 W487 E488 K493 T494 E495 | T187-L491 HydrophobicContact CG2-CD1 3.78Å; W487-L491 WeakPolarHBondContact O-CB 3.32Å; W487-L491 PolarHBondContact O-N 3.47Å; E488-L491 PolarHBondContact O-N 2.79Å; L491-K493 PolarHBondContact O-N 2.78Å; L491-T494 WeakPolarHBondContact O-CB 3.47Å; L491-T494 PolarHBondContact O-N 3.08Å; L491-T494 VanDerWaalsContact O-N 3.07Å; L491-E495 WeakPolarHBondContact O-CG 3.48Å; L491-E495 PolarHBondContact O-N 3.36Å |
| 492 | R | 85.3 | Confident | 77.3 | Confident | 161 Ų | 161 | 80.3 Ų | 80.3 | 61% | 0.608 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -57.7 | -32.1 | 174.6 | -173.2 | -170.2 | 65.1 | -178.7 | -6.4 | 112.5 | E488 E489 S496 | E488-R492 WeakPolarHBondContact O-CB 3.41Å; E488-R492 PolarHBondContact O-N 2.87Å; E489-R492 PolarHBondContact O-N 3.19Å; R492-S496 WeakPolarHBondContact O-CB 3.25Å; R492-S496 PolarHBondContact O-N 2.88Å |
| 493 | K | 83.3 | Confident | 77.1 | Confident | 82 Ų | 82 | 81.2 Ų | 81.2 | 36% | 0.357 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -70.6 | -42.3 | 175.6 | -174.2 | -179.8 | -170.7 | 167.1 | 0 | 111.7 | E485 E489 K490 L491 S496 I497 | E485-K493 WeakPolarHBondContact OE1-CD 3.37Å; E485-K493 IonicContact OE1-NZ 2.87Å; E485-K493 PolarHBondContact OE1-NZ 2.99Å; E485-K493 IonicContact OE2-NZ 3.8Å; E485-K493 PolarHBondContact OE2-NZ 3.05Å; E489-K493 VanDerWaalsContact O-CB 3.24Å; E489-K493 WeakPolarHBondContact O-CB 3.37Å; E489-K493 PolarHBondContact O-N 3.19Å; K490-K493 WeakPolarHBondContact O-CB 3.38Å; K490-K493 PolarHBondContact O-N 3.01Å; L491-K493 PolarHBondContact O-N 2.78Å; K493-S496 PolarHBondContact O-N 2.8Å; K493-I497 HydrophobicContact CG-CD1 4.48Å; K493-I497 WeakPolarHBondContact O-CG1 3.49Å; K493-I497 PolarHBondContact O-N 3.37Å; K493-I497 VanDerWaalsContact O-N 3.08Å |
| 494 | T | 82.3 | Confident | 77 | Confident | 20 Ų | 20 | 79 Ų | 79 | 12% | 0.123 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -58.6 | -48.4 | 168.2 | -58.5 | 0 | 0 | 0 | 0 | 111 | L184 A185 K490 L491 S496 I497 R498 | L184-T494 HydrophobicContact CB-CG2 4.22Å; A185-T494 PolarHBondContact N-OG1 3.02Å; A185-T494 WeakPolarHBondContact O-CG2 3.43Å; A185-T494 PolarHBondContact O-OG1 2.98Å; K490-T494 PolarHBondContact O-N 2.81Å; K490-T494 PolarHBondContact O-OG1 2.87Å; L491-T494 WeakPolarHBondContact O-CB 3.47Å; L491-T494 PolarHBondContact O-N 3.08Å; L491-T494 VanDerWaalsContact O-N 3.07Å; T494-S496 PolarHBondContact O-N 2.95Å; T494-I497 PolarHBondContact O-N 2.91Å; T494-R498 WeakPolarHBondContact O-CB 3.25Å; T494-R498 PolarHBondContact O-N 3.23Å |
| 495 | E | 82.3 | Confident | 76.7 | Confident | 112 Ų | 112 | 76.1 Ų | 76.1 | 52% | 0.523 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.3 | -41.2 | 178.8 | -69.9 | 177.7 | 158.2 | 0 | 0 | 112.4 | L491 R498 L499 | L491-E495 WeakPolarHBondContact O-CG 3.48Å; L491-E495 PolarHBondContact O-N 3.36Å; E495-R498 WeakPolarHBondContact O-CB 3.18Å; E495-R498 PolarHBondContact O-N 3.13Å; E495-L499 WeakPolarHBondContact O-CB 3.37Å; E495-L499 PolarHBondContact O-N 3.07Å |
| 496 | S | 82.1 | Confident | 75.8 | Confident | 74 Ų | 74 | 76.7 Ų | 76.7 | 52% | 0.517 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.4 | -41.4 | 176.5 | -171.1 | 0 | 0 | 0 | 0 | 112.1 | R492 K493 T494 L499 E500 | R492-S496 WeakPolarHBondContact O-CB 3.25Å; R492-S496 PolarHBondContact O-N 2.88Å; K493-S496 PolarHBondContact O-N 2.8Å; T494-S496 PolarHBondContact O-N 2.95Å; S496-L499 PolarHBondContact O-N 2.89Å; S496-E500 WeakPolarHBondContact O-CB 3.37Å; S496-E500 PolarHBondContact O-N 2.84Å |
| 497 | I | 80.4 | Confident | 74.6 | Confident | 24 Ų | 24 | 78.8 Ų | 78.8 | 12% | 0.123 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -69.9 | -38.2 | 177.2 | -69.5 | 166.2 | 0 | 0 | 0 | 110.3 | L184 K493 T494 R501 | L184-I497 HydrophobicContact CD2-CD1 3.67Å; K493-I497 HydrophobicContact CG-CD1 4.48Å; K493-I497 WeakPolarHBondContact O-CG1 3.49Å; K493-I497 PolarHBondContact O-N 3.37Å; K493-I497 VanDerWaalsContact O-N 3.08Å; T494-I497 PolarHBondContact O-N 2.91Å; I497-R501 WeakPolarHBondContact O-CB 3.25Å; I497-R501 VanDerWaalsContact O-CD 3.25Å; I497-R501 WeakPolarHBondContact O-CD 3.17Å; I497-R501 WeakPolarHBondContact O-CG 3.23Å; I497-R501 PolarHBondContact O-N 2.82Å |
| 498 | R | 75.6 | Confident | 73.2 | Confident | 102 Ų | 102 | 78.9 Ų | 78.9 | 39% | 0.385 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59.1 | -48.8 | 171.3 | -176.4 | -174 | -176.4 | 115.4 | 17.7 | 111.3 | E194 T494 E495 R501 E502 | E194-R498 IonicContact OE1-CZ 2.9Å; E194-R498 IonicContact OE1-NH1 3.84Å; E194-R498 IonicContact OE1-NH2 3.13Å; E194-R498 PolarHBondContact OE1-NH2 3.19Å; E194-R498 IonicContact OE2-CZ 2.69Å; E194-R498 IonicContact OE2-NH1 3.76Å; E194-R498 PolarHBondContact OE2-NH1 3.4Å; E194-R498 IonicContact OE2-NH2 2.73Å; E194-R498 PolarHBondContact OE2-NH2 3.38Å; T494-R498 WeakPolarHBondContact O-CB 3.25Å; T494-R498 PolarHBondContact O-N 3.23Å; E495-R498 WeakPolarHBondContact O-CB 3.18Å; E495-R498 PolarHBondContact O-N 3.13Å; R498-R501 WeakPolarHBondContact O-CB 2.97Å; R498-R501 PolarHBondContact O-N 2.83Å; R498-E502 HydrophobicContact CG-CG 4.46Å; R498-E502 WeakPolarHBondContact CG-OE1 3.49Å; R498-E502 IonicContact CZ-OE1 3.93Å; R498-E502 IonicContact NE-OE1 3.27Å; R498-E502 PolarHBondContact NE-OE1 3.47Å; R498-E502 IonicContact NH2-OE1 2.99Å; R498-E502 PolarHBondContact NH2-OE1 3.01Å; R498-E502 WeakPolarHBondContact O-CG 3.44Å; R498-E502 PolarHBondContact O-N 3.37Å |
| 499 | L | 77 | Confident | 71.3 | Confident | 118 Ų | 118 | 71.4 Ų | 71.4 | 62% | 0.618 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -66.5 | -38.7 | -179 | -174.1 | 64 | 0 | 0 | 0 | 112.2 | E495 S496 E502 S503 | E495-L499 WeakPolarHBondContact O-CB 3.37Å; E495-L499 PolarHBondContact O-N 3.07Å; S496-L499 PolarHBondContact O-N 2.89Å; L499-E502 PolarHBondContact O-N 2.94Å; L499-S503 VanDerWaalsContact O-CB 3.27Å; L499-S503 WeakPolarHBondContact O-CB 3.05Å; L499-S503 PolarHBondContact O-N 3.06Å |
| 500 | E | 76.9 | Confident | 69.6 | Low | 82 Ų | 82 | 69.3 Ų | 69.3 | 38% | 0.383 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.8 | -43.8 | 172.2 | -176.4 | 178 | -140.4 | 0 | 0 | 111.2 | T161 S496 S503 L504 | T161-E500 WeakPolarHBondContact CG2-OE1 3.42Å; S496-E500 WeakPolarHBondContact O-CB 3.37Å; S496-E500 PolarHBondContact O-N 2.84Å; E500-S503 PolarHBondContact O-N 2.94Å; E500-L504 HydrophobicContact CG-CD1 4.18Å; E500-L504 WeakPolarHBondContact O-CB 3.48Å; E500-L504 VanDerWaalsContact O-CG 3.29Å; E500-L504 WeakPolarHBondContact O-CG 3.4Å; E500-L504 PolarHBondContact O-N 3.12Å |
| 501 | R | 66.8 | Low | 67.5 | Low | 22 Ų | 22 | 70 Ų | 70 | 8% | 0.083 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -64.4 | -46.3 | 175.1 | -73.3 | 158.7 | 154.7 | -159.4 | -30.3 | 112.9 | L158 P160 E198 I497 R498 S503 L504 L505 | L158-R501 PolarHBondContact O-NE 2.82Å; L158-R501 PolarHBondContact O-NH2 3.41Å; P160-R501 HydrophobicContact CG-CG 3.74Å; E198-R501 IonicContact OE1-CZ 3.01Å; E198-R501 IonicContact OE1-NE 2.78Å; E198-R501 IonicContact OE1-NH1 2.88Å; E198-R501 PolarHBondContact OE1-NH1 3.5Å; E198-R501 IonicContact OE1-NH2 2.81Å; E198-R501 IonicContact OE2-CZ 3.83Å; E198-R501 IonicContact OE2-NH1 2.62Å; E198-R501 PolarHBondContact OE2-NH1 3.35Å; E198-R501 IonicContact OE2-NH2 3.7Å; E198-R501 PolarHBondContact OE2-NH2 2.99Å; I497-R501 WeakPolarHBondContact O-CB 3.25Å; I497-R501 VanDerWaalsContact O-CD 3.25Å; I497-R501 WeakPolarHBondContact O-CD 3.17Å; I497-R501 WeakPolarHBondContact O-CG 3.23Å; I497-R501 PolarHBondContact O-N 2.82Å; R498-R501 WeakPolarHBondContact O-CB 2.97Å; R498-R501 PolarHBondContact O-N 2.83Å; R501-S503 VanDerWaalsContact C-N 3.29Å; R501-S503 PolarHBondContact O-N 3.09Å; R501-L504 PolarHBondContact O-N 2.88Å; R501-L505 WeakPolarHBondContact O-CB 3.1Å; R501-L505 VanDerWaalsContact O-CG 3.29Å; R501-L505 WeakPolarHBondContact O-CG 3.39Å; R501-L505 PolarHBondContact O-N 2.81Å |
| 502 | E | 65.8 | Low | 65.6 | Low | 79 Ų | 79 | 71.3 Ų | 71.3 | 37% | 0.369 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.7 | -38 | 177.3 | -74 | 177.5 | -171.1 | 0 | 0 | 110.9 | R498 L499 A506 | R498-E502 HydrophobicContact CG-CG 4.46Å; R498-E502 WeakPolarHBondContact CG-OE1 3.49Å; R498-E502 IonicContact CZ-OE1 3.93Å; R498-E502 IonicContact NE-OE1 3.27Å; R498-E502 PolarHBondContact NE-OE1 3.47Å; R498-E502 IonicContact NH2-OE1 2.99Å; R498-E502 PolarHBondContact NH2-OE1 3.01Å; R498-E502 WeakPolarHBondContact O-CG 3.44Å; R498-E502 PolarHBondContact O-N 3.37Å; L499-E502 PolarHBondContact O-N 2.94Å; E502-A506 VanDerWaalsContact O-CB 3.27Å; E502-A506 WeakPolarHBondContact O-CB 3.25Å; E502-A506 PolarHBondContact O-N 2.72Å |
| 503 | S | 62.8 | Low | 63.6 | Low | 75 Ų | 75 | 68.5 Ų | 68.5 | 52% | 0.524 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.6 | -49.1 | 172.3 | -172.2 | 0 | 0 | 0 | 0 | 112.5 | L499 E500 R501 L505 A506 E507 | L499-S503 VanDerWaalsContact O-CB 3.27Å; L499-S503 WeakPolarHBondContact O-CB 3.05Å; L499-S503 PolarHBondContact O-N 3.06Å; E500-S503 PolarHBondContact O-N 2.94Å; R501-S503 VanDerWaalsContact C-N 3.29Å; R501-S503 PolarHBondContact O-N 3.09Å; S503-L505 VanDerWaalsContact C-N 3.34Å; S503-L505 PolarHBondContact O-N 3.42Å; S503-A506 PolarHBondContact O-N 2.97Å; S503-E507 WeakPolarHBondContact O-CB 3.2Å; S503-E507 PolarHBondContact O-N 2.75Å |
| 504 | L | 63.8 | Low | 61.5 | Low | 62 Ų | 62 | 74.5 Ų | 74.5 | 33% | 0.325 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61 | -40.8 | 177 | -74.4 | 167.1 | 0 | 0 | 0 | 111.9 | P160 E500 R501 E507 M508 | P160-L504 HydrophobicContact CB-CD1 4.47Å; P160-L504 HydrophobicContact CG-CD1 4.25Å; E500-L504 HydrophobicContact CG-CD1 4.18Å; E500-L504 WeakPolarHBondContact O-CB 3.48Å; E500-L504 VanDerWaalsContact O-CG 3.29Å; E500-L504 WeakPolarHBondContact O-CG 3.4Å; E500-L504 PolarHBondContact O-N 3.12Å; R501-L504 PolarHBondContact O-N 2.88Å; L504-E507 PolarHBondContact O-N 3.4Å; L504-M508 WeakPolarHBondContact O-CB 3.44Å; L504-M508 VanDerWaalsContact O-CG 3.23Å; L504-M508 WeakPolarHBondContact O-CG 3.23Å; L504-M508 PolarHBondContact O-N 2.59Å |
| 505 | L | 61 | Low | 59.3 | Low | 60 Ų | 60 | 79.9 Ų | 79.9 | 31% | 0.314 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -68.4 | -38.3 | 176.8 | -71.4 | 170.4 | 0 | 0 | 0 | 111.9 | R501 S503 M508 G509 V510 I512 | R501-L505 WeakPolarHBondContact O-CB 3.1Å; R501-L505 VanDerWaalsContact O-CG 3.29Å; R501-L505 WeakPolarHBondContact O-CG 3.39Å; R501-L505 PolarHBondContact O-N 2.81Å; S503-L505 VanDerWaalsContact C-N 3.34Å; S503-L505 PolarHBondContact O-N 3.42Å; L505-M508 CarbonylContact O-C 3.48Å; L505-M508 PolarHBondContact O-N 2.89Å; L505-G509 PolarHBondContact O-N 3.46Å; L505-G509 VanDerWaalsContact O-N 3.17Å; L505-V510 HydrophobicContact CB-CB 4.42Å; L505-V510 PolarHBondContact O-N 3.13Å; L505-I512 HydrophobicContact CD1-CD1 4.03Å |
| 506 | A | 55.9 | Low | 57.4 | Low | 63 Ų | 63 | 76.8 Ų | 76.8 | 52% | 0.521 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -66.6 | -39.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | E502 S503 G509 | E502-A506 VanDerWaalsContact O-CB 3.27Å; E502-A506 WeakPolarHBondContact O-CB 3.25Å; E502-A506 PolarHBondContact O-N 2.72Å; S503-A506 PolarHBondContact O-N 2.97Å; A506-G509 PolarHBondContact O-N 3.47Å; A506-G509 VanDerWaalsContact O-N 3.13Å |
| 507 | E | 54.7 | Low | 55.2 | Low | 113 Ų | 113 | 74.9 Ų | 74.9 | 53% | 0.528 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.3 | -46.3 | 172.9 | -171.6 | -170.9 | 158.3 | 0 | 0 | 111.1 | S503 L504 G509 | S503-E507 WeakPolarHBondContact O-CB 3.2Å; S503-E507 PolarHBondContact O-N 2.75Å; L504-E507 PolarHBondContact O-N 3.4Å; E507-G509 PolarHBondContact O-N 3.45Å; E507-G509 VanDerWaalsContact O-N 3.12Å |
| 508 | M | 47 | Very low | 53.3 | Low | 88 Ų | 88 | 78.9 Ų | 78.9 | 43% | 0.433 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | 3.4 | 173.9 | -66.2 | -179.9 | 77 | 0 | 0 | 114.1 | L504 L505 Y546 | L504-M508 WeakPolarHBondContact O-CB 3.44Å; L504-M508 VanDerWaalsContact O-CG 3.23Å; L504-M508 WeakPolarHBondContact O-CG 3.23Å; L504-M508 PolarHBondContact O-N 2.59Å; L505-M508 CarbonylContact O-C 3.48Å; L505-M508 PolarHBondContact O-N 2.89Å; M508-Y546 HydrophobicContact CE-CE2 3.99Å |
| 509 | G | 44.2 | Very low | 51.6 | Low | 5 Ų | 5 | 79.3 Ų | 79.3 | 5% | 0.052 | 44% | 0.441 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.3 | 9.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | L505 A506 E507 F522 | L505-G509 PolarHBondContact O-N 3.46Å; L505-G509 VanDerWaalsContact O-N 3.17Å; A506-G509 PolarHBondContact O-N 3.47Å; A506-G509 VanDerWaalsContact O-N 3.13Å; E507-G509 PolarHBondContact O-N 3.45Å; E507-G509 VanDerWaalsContact O-N 3.12Å; G509-F522 WeakPolarHBondContact O-CB 3.38Å; G509-F522 PolarHBondContact O-N 3.07Å |
| 510 | V | 46.2 | Very low | 50 | Low | 35 Ų | 35 | 74.9 Ų | 74.9 | 21% | 0.212 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 110.3 | 179.1 | -177.6 | 0 | 0 | 0 | 0 | 110 | L505 T518 | L505-V510 HydrophobicContact CB-CB 4.42Å; L505-V510 PolarHBondContact O-N 3.13Å; V510-T518 HydrophobicContact CG1-CG2 4.2Å |
| 511 | S | 40.9 | Very low | 48.1 | Very low | 41 Ų | 41 | 77.2 Ų | 77.2 | 29% | 0.287 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 122.1 | 174.3 | 55.6 | 0 | 0 | 0 | 0 | 111.8 | L519 F522 | S511-L519 PolarHBondContact O-N 3.14Å; S511-F522 WeakPolarHBondContact OG-CE2 3.33Å |
| 512 | I | 42.8 | Very low | 47 | Very low | 79 Ų | 79 | 81.4 Ų | 81.4 | 41% | 0.405 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 144.5 | 176 | -44.6 | 176.1 | 0 | 0 | 0 | 108.1 | L505 | L505-I512 HydrophobicContact CD1-CD1 4.03Å |
| 513 | K | 43.5 | Very low | 45.8 | Very low | 103 Ų | 103 | 80.3 Ų | 80.3 | 45% | 0.448 | 46% | 0.464 | S | S | . | . | P | Polyproline II helix | trans | -82 | 161 | 167.9 | -70.5 | -171 | 175.6 | -171 | 0 | 111.8 | D515 G516 G517 L519 | K513-D515 HydrophobicContact CB-CB 4.23Å; K513-D515 VanDerWaalsContact CD-OD2 3.24Å; K513-D515 WeakPolarHBondContact CD-OD2 3.27Å; K513-D515 IonicContact NZ-OD2 3.15Å; K513-D515 PolarHBondContact O-N 3.17Å; K513-D515 VanDerWaalsContact O-N 3.1Å; K513-G516 PolarHBondContact O-N 2.93Å; K513-G517 WeakPolarHBondContact CB-O 3.44Å; K513-G517 PolarHBondContact N-O 2.86Å; K513-L519 HydrophobicContact CG-CB 4.31Å; K513-L519 HydrophobicContact CG-CD1 3.93Å; K513-L519 HydrophobicContact CG-CG 4.16Å |
| 514 | E | 40.2 | Very low | 45.3 | Very low | 208 Ų | 208 | 76.9 Ų | 76.9 | 97% | 0.972 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | -26.2 | 163.7 | -61.3 | 174.4 | 173.3 | 0 | 0 | 112.3 | G516 | E514-G516 VanDerWaalsContact C-N 3.27Å; E514-G516 PolarHBondContact O-N 2.68Å |
| 515 | D | 35.3 | Very low | 44.8 | Very low | 132 Ų | 132 | 81.6 Ų | 81.6 | 71% | 0.706 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | 3.6 | 174.6 | -41.9 | -51.9 | 0 | 0 | 0 | 114.7 | K513 G517 | K513-D515 HydrophobicContact CB-CB 4.23Å; K513-D515 VanDerWaalsContact CD-OD2 3.24Å; K513-D515 WeakPolarHBondContact CD-OD2 3.27Å; K513-D515 IonicContact NZ-OD2 3.15Å; K513-D515 PolarHBondContact O-N 3.17Å; K513-D515 VanDerWaalsContact O-N 3.1Å; D515-G517 PolarHBondContact O-N 2.85Å; D515-G517 VanDerWaalsContact O-N 3.13Å |
| 516 | G | 42.2 | Very low | 44.6 | Very low | 47 Ų | 47 | 80.3 Ų | 80.3 | 49% | 0.485 | 46% | 0.459 | S | S | . | . | S | Bend | trans | 72.8 | -6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | K513 E514 | K513-G516 PolarHBondContact O-N 2.93Å; E514-G516 VanDerWaalsContact C-N 3.27Å; E514-G516 PolarHBondContact O-N 2.68Å |
| 517 | G | 37 | Very low | 45.3 | Very low | 34 Ų | 34 | 79.3 Ų | 79.3 | 35% | 0.351 | 45% | 0.446 | S | S | . | . | trans | -78.9 | 132.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | K513 D515 L519 | K513-G517 WeakPolarHBondContact CB-O 3.44Å; K513-G517 PolarHBondContact N-O 2.86Å; D515-G517 PolarHBondContact O-N 2.85Å; D515-G517 VanDerWaalsContact O-N 3.13Å; G517-L519 PolarHBondContact O-N 3.43Å | ||
| 518 | T | 40.4 | Very low | 46.5 | Very low | 109 Ų | 109 | 74.2 Ų | 74.2 | 67% | 0.669 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 122.9 | 170.4 | 40.4 | 0 | 0 | 0 | 0 | 111.2 | V510 | V510-T518 HydrophobicContact CG1-CG2 4.2Å |
| 519 | L | 38.6 | Very low | 48 | Very low | 110 Ų | 110 | 70.1 Ų | 70.1 | 58% | 0.576 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.4 | -27.3 | 179.9 | -144.6 | 167.6 | 0 | 0 | 0 | 111.6 | S511 K513 G517 | S511-L519 PolarHBondContact O-N 3.14Å; K513-L519 HydrophobicContact CG-CB 4.31Å; K513-L519 HydrophobicContact CG-CD1 3.93Å; K513-L519 HydrophobicContact CG-CG 4.16Å; G517-L519 PolarHBondContact O-N 3.43Å |
| 520 | G | 43.5 | Very low | 49.8 | Very low | 26 Ų | 26 | 70 Ų | 70 | 27% | 0.268 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 169 | 163.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 521 | V | 37.8 | Very low | 51.3 | Low | 130 Ų | 130 | 70.6 Ų | 70.6 | 79% | 0.788 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 105.9 | 163.4 | -179.9 | 0 | 0 | 0 | 0 | 106.9 | ||
| 522 | F | 42.8 | Very low | 52.9 | Low | 110 Ų | 110 | 69.4 Ų | 69.4 | 48% | 0.482 | 40% | 0.395 | S | S | . | . | trans | -87.1 | 150.6 | 166.4 | -66.3 | -92.1 | 0 | 0 | 0 | 108.8 | G509 S511 | G509-F522 WeakPolarHBondContact O-CB 3.38Å; G509-F522 PolarHBondContact O-N 3.07Å; S511-F522 WeakPolarHBondContact OG-CE2 3.33Å | ||
| 523 | S | 42.3 | Very low | 54.2 | Low | 57 Ų | 57 | 69.3 Ų | 69.3 | 40% | 0.399 | 40% | 0.395 | S | S | . | . | trans | -52.8 | 137.6 | 164.3 | 171.1 | 0 | 0 | 0 | 0 | 109.2 | K525 H529 N627 | S523-K525 PolarHBondContact O-N 2.8Å; S523-H529 PolarHBondContact OG-CE1 3.12Å; S523-N627 PolarHBondContact OG-ND2 2.98Å; S523-N627 VanDerWaalsContact OG-ND2 3.08Å | ||
| 524 | P | 51.2 | Low | 55.1 | Low | 3 Ų | 3 | 66.8 Ų | 66.8 | 2% | 0.019 | 39% | 0.386 | C | S | . | . | trans | -45.7 | 139 | 169.8 | -28.9 | 34.2 | 0 | 0 | 0 | 111 | Y546 P629 | P524-Y546 HydrophobicContact CB-CE1 4.19Å; P524-Y546 HydrophobicContact CG-CE1 3.65Å; P524-P629 WeakPolarHBondContact O-CB 3.22Å; P524-P629 WeakPolarHBondContact O-CG 3.37Å | ||
| 525 | K | 52.7 | Low | 55.4 | Low | 160 Ų | 160 | 65.8 Ų | 65.8 | 70% | 0.696 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -90.6 | -14 | -165.9 | -72.1 | -179.6 | -179.8 | 171.7 | 0 | 115.1 | S523 P629 | S523-K525 PolarHBondContact O-N 2.8Å; K525-P629 WeakPolarHBondContact O-CB 3.44Å |
| 526 | G | 57.8 | Low | 56 | Low | 33 Ų | 33 | 62.6 Ų | 62.6 | 34% | 0.34 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -127 | -49.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 527 | T | 70.3 | Confident | 55.9 | Low | 42 Ų | 42 | 65.6 Ų | 65.6 | 26% | 0.258 | 38% | 0.376 | S | S | . | . | trans | -69.3 | 127.2 | -169.7 | 16 | 0 | 0 | 0 | 0 | 114.2 | H529 P629 | T527-H529 PolarHBondContact O-ND1 3.36Å; T527-P629 WeakPolarHBondContact O-CD 3.27Å | ||
| 528 | P | 80.8 | Confident | 56.2 | Low | 7 Ų | 7 | 71.6 Ų | 71.6 | 5% | 0.045 | 40% | 0.399 | C | S | . | . | trans | -61.8 | 140.4 | 168.3 | -21.7 | 33.8 | 0 | 0 | 0 | 112.3 | I547 V585 V587 F626 N627 | P528-I547 PolarHBondContact O-N 3.14Å; P528-V585 HydrophobicContact CG-CG1 4.2Å; P528-V587 HydrophobicContact CB-CG2 3.84Å; P528-V587 HydrophobicContact CG-CG2 3.91Å; P528-F626 HydrophobicContact CB-CE2 3.78Å; P528-F626 HydrophobicContact CB-CZ 3.93Å; P528-N627 WeakPolarHBondContact CA-O 3.47Å | ||
| 529 | H | 78.2 | Confident | 56.6 | Low | 2 Ų | 2 | 68.8 Ų | 68.8 | 1% | 0.009 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 159.8 | -176.9 | 55.4 | -85.7 | 0 | 0 | 0 | 113 | S523 T527 L544 Y545 N627 | S523-H529 PolarHBondContact OG-CE1 3.12Å; T527-H529 PolarHBondContact O-ND1 3.36Å; H529-L544 HydrophobicContact CB-CD2 4.02Å; H529-L544 HydrophobicContact CB-CG 4.3Å; H529-Y545 CarbonylContact C-O 3.59Å; H529-Y545 VanDerWaalsContact CA-O 3.22Å; H529-Y545 WeakPolarHBondContact CA-O 3.24Å; H529-Y545 VanDerWaalsContact CB-O 3.27Å; H529-Y545 WeakPolarHBondContact CB-O 3.44Å; H529-N627 PolarHBondContact CE1-ND2 3.16Å; H529-N627 PolarHBondContact N-O 3.15Å; H529-N627 PolarHBondContact NE2-ND2 2.96Å; H529-N627 PolarHBondContact O-N 2.91Å |
| 530 | L | 81.6 | Confident | 57 | Low | 1 Ų | 1 | 66.3 Ų | 66.3 | 1% | 0.005 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 138.1 | 169.9 | -56.9 | 176.4 | 0 | 0 | 0 | 109.5 | L544 Y545 I547 I561 F575 I616 M618 F624 R625 F626 | L530-L544 CarbonylContact O-C 3.47Å; L530-L544 VanDerWaalsContact O-CA 3.25Å; L530-L544 WeakPolarHBondContact O-CA 3.3Å; L530-Y545 PolarHBondContact N-O 3.18Å; L530-Y545 PolarHBondContact O-N 3.41Å; L530-I547 HydrophobicContact CD2-CD1 4.11Å; L530-I547 HydrophobicContact CG-CD1 4.01Å; L530-I561 HydrophobicContact CD1-CD1 4.22Å; L530-F575 HydrophobicContact CD1-CE1 4.27Å; L530-F575 HydrophobicContact CD1-CE2 4.06Å; L530-F575 HydrophobicContact CD1-CZ 3.69Å; L530-F575 HydrophobicContact CD2-CE1 3.84Å; L530-F575 HydrophobicContact CD2-CZ 3.93Å; L530-F575 HydrophobicContact CG-CE1 4.46Å; L530-F575 HydrophobicContact CG-CZ 4.33Å; L530-I616 HydrophobicContact CD2-CD1 3.87Å; L530-M618 HydrophobicContact CD1-CE 4.26Å; L530-F624 HydrophobicContact CB-CB 4.24Å; L530-F624 HydrophobicContact CB-CD1 4.37Å; L530-F624 HydrophobicContact CB-CG 4.43Å; L530-F624 HydrophobicContact CD2-CB 4.39Å; L530-R625 CarbonylContact C-O 3.43Å; L530-R625 WeakPolarHBondContact CA-O 3.42Å; L530-F626 HydrophobicContact CD2-CB 4.07Å; L530-F626 HydrophobicContact CD2-CD2 4.11Å |
| 531 | V | 76.6 | Confident | 57.6 | Low | 49 Ų | 49 | 67.4 Ų | 67.4 | 30% | 0.297 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 128.8 | 169.8 | -177.6 | 0 | 0 | 0 | 0 | 108.6 | L543 F624 R625 | V531-L543 WeakPolarHBondContact CA-O 3.44Å; V531-F624 CarbonylContact O-C 3.58Å; V531-F624 WeakPolarHBondContact O-CA 3.49Å; V531-R625 HydrophobicContact CB-CB 4.49Å; V531-R625 PolarHBondContact N-O 3.24Å; V531-R625 PolarHBondContact O-N 3.23Å |
| 532 | N | 76.3 | Confident | 58.3 | Low | 15 Ų | 15 | 63.9 Ų | 63.9 | 8% | 0.08 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 134 | 176.5 | -166 | -13.3 | 0 | 0 | 0 | 110.5 | N534 E541 L543 V623 F624 | N532-N534 WeakPolarHBondContact OD1-CB 3.48Å; N532-N534 PolarHBondContact OD1-N 3.32Å; N532-E541 PolarHBondContact ND2-O 3.06Å; N532-L543 PolarHBondContact N-O 3.18Å; N532-V623 PolarHBondContact OD1-O 2.86Å; N532-F624 HydrophobicContact CB-CD1 4.13Å; N532-F624 HydrophobicContact CB-CE1 4.04Å |
| 533 | L | 70 | Confident | 59.1 | Low | 78 Ų | 78 | 64.8 Ų | 64.8 | 41% | 0.408 | 36% | 0.358 | S | S | . | . | trans | -109.9 | 6.9 | 179.6 | -62.2 | -175.5 | 0 | 0 | 0 | 113.4 | V623 R625 | L533-V623 HydrophobicContact CB-CB 4.47Å; L533-V623 HydrophobicContact CB-CG1 4.15Å; L533-V623 HydrophobicContact CD1-CG1 4.26Å; L533-V623 PolarHBondContact N-O 3.5Å; L533-R625 HydrophobicContact CD1-CB 4.02Å; L533-R625 HydrophobicContact CD2-CB 4.19Å; L533-R625 HydrophobicContact CG-CB 4.17Å | ||
| 534 | N | 61.7 | Low | 60.2 | Low | 49 Ų | 49 | 64.3 Ų | 64.3 | 26% | 0.262 | 35% | 0.351 | S | S | . | . | trans | -83.9 | 129.7 | 179.6 | -168.7 | 5.9 | 0 | 0 | 0 | 111.8 | N532 D536 M539 | N532-N534 WeakPolarHBondContact OD1-CB 3.48Å; N532-N534 PolarHBondContact OD1-N 3.32Å; N534-D536 PolarHBondContact OD1-N 3.19Å; N534-M539 WeakPolarHBondContact ND2-CB 3.19Å | ||
| 535 | E | 45.4 | Very low | 61.3 | Low | 187 Ų | 187 | 65.7 Ų | 65.7 | 87% | 0.874 | 36% | 0.356 | S | S | * | . | trans | -85.2 | -14.2 | -176.6 | -61.9 | -167.6 | 143 | 0 | 0 | 114.5 | P537 | E535-P537 VanDerWaalsContact O-CD 3.27Å; E535-P537 WeakPolarHBondContact O-CD 3.29Å | ||
| 536 | D | 48.4 | Very low | 62.4 | Low | 66 Ų | 66 | 61.6 Ų | 61.6 | 35% | 0.353 | 34% | 0.337 | S | S | . | . | trans | -77.2 | 115.3 | -175.6 | 179.4 | 5.2 | 0 | 0 | 0 | 112.5 | N534 L538 M539 S540 | N534-D536 PolarHBondContact OD1-N 3.19Å; D536-L538 PolarHBondContact O-N 3.16Å; D536-L538 VanDerWaalsContact O-N 3.08Å; D536-L538 WeakPolarHBondContact OD1-CB 3.14Å; D536-L538 PolarHBondContact OD1-N 3.36Å; D536-M539 HydrophobicContact CB-CB 4.15Å; D536-M539 HydrophobicContact CB-CG 4.41Å; D536-M539 PolarHBondContact O-N 3.06Å; D536-M539 WeakPolarHBondContact OD2-CG 3.31Å; D536-S540 PolarHBondContact O-N 2.83Å | ||
| 537 | P | 41.2 | Very low | 63.5 | Low | 110 Ų | 110 | 60.1 Ų | 60.1 | 71% | 0.714 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -11.2 | 178.7 | -20.2 | 34.1 | 0 | 0 | 0 | 115 | E535 | E535-P537 VanDerWaalsContact O-CD 3.27Å; E535-P537 WeakPolarHBondContact O-CD 3.29Å |
| 538 | L | 42.4 | Very low | 63.7 | Low | 160 Ų | 160 | 65.5 Ų | 65.5 | 84% | 0.838 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | -14.2 | 174.3 | -60.9 | 174.1 | 0 | 0 | 0 | 112.9 | D536 | D536-L538 PolarHBondContact O-N 3.16Å; D536-L538 VanDerWaalsContact O-N 3.08Å; D536-L538 WeakPolarHBondContact OD1-CB 3.14Å; D536-L538 PolarHBondContact OD1-N 3.36Å |
| 539 | M | 48.8 | Very low | 63.4 | Low | 50 Ų | 50 | 71.8 Ų | 71.8 | 25% | 0.246 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.2 | -1.3 | -177.6 | -68.5 | -68.8 | -54.1 | 0 | 0 | 113 | N534 D536 E541 N621 | N534-M539 WeakPolarHBondContact ND2-CB 3.19Å; D536-M539 HydrophobicContact CB-CB 4.15Å; D536-M539 HydrophobicContact CB-CG 4.41Å; D536-M539 PolarHBondContact O-N 3.06Å; D536-M539 WeakPolarHBondContact OD2-CG 3.31Å; M539-E541 VanDerWaalsContact C-N 3.25Å; M539-E541 PolarHBondContact O-N 3.25Å; M539-N621 HydrophobicContact CE-CB 4.06Å |
| 540 | S | 47.5 | Very low | 63.6 | Low | 57 Ų | 57 | 72.9 Ų | 72.9 | 40% | 0.399 | 38% | 0.381 | S | S | . | . | trans | -76 | 69.4 | -179.1 | 64.8 | 0 | 0 | 0 | 0 | 112.5 | D536 | D536-S540 PolarHBondContact O-N 2.83Š| ||
| 541 | E | 55.1 | Low | 63.8 | Low | 49 Ų | 49 | 79.2 Ų | 79.2 | 23% | 0.229 | 41% | 0.409 | C | S | . | . | trans | -59.6 | 155.1 | 156.6 | -61.2 | -180 | 140.1 | 0 | 0 | 109.1 | N532 M539 Y545 L563 S564 H622 | N532-E541 PolarHBondContact ND2-O 3.06Å; M539-E541 VanDerWaalsContact C-N 3.25Å; M539-E541 PolarHBondContact O-N 3.25Å; E541-Y545 WeakPolarHBondContact CB-OH 3.33Å; E541-L563 VanDerWaalsContact OE2-CA 3.23Å; E541-L563 WeakPolarHBondContact OE2-CA 3.16Å; E541-S564 WeakPolarHBondContact OE1-CB 3.29Å; E541-S564 PolarHBondContact OE1-N 3.37Å; E541-S564 PolarHBondContact OE1-OG 3.25Å; E541-S564 PolarHBondContact OE2-N 2.87Å; E541-H622 IonicContact OE2-CE1 2.69Å; E541-H622 PolarHBondContact OE2-CE1 2.92Å; E541-H622 IonicContact OE2-ND1 3.02Å; E541-H622 IonicContact OE2-NE2 2.66Å | ||
| 542 | C | 52.7 | Low | 64.3 | Low | 57 Ų | 57 | 77.2 Ų | 77.2 | 39% | 0.385 | 40% | 0.397 | S | S | . | . | trans | -33.6 | 131.9 | -155.7 | -156.1 | 0 | 0 | 0 | 0 | 116.9 | L544 Y545 | C542-L544 PolarHBondContact O-N 3.25Å; C542-L544 VanDerWaalsContact O-N 3.11Å; C542-Y545 HydrophobicContact CB-CD1 4.29Å; C542-Y545 HydrophobicContact CB-CE1 3.67Å; C542-Y545 HydrophobicContact CB-CE2 4.1Å; C542-Y545 PolarHBondContact N-OH 2.76Å; C542-Y545 VanDerWaalsContact N-OH 3.14Å; C542-Y545 WeakPolarHBondContact O-CE2 3.25Å | ||
| 543 | L | 59.6 | Low | 64.9 | Low | 128 Ų | 128 | 81.2 Ų | 81.2 | 67% | 0.67 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -58.7 | -26.5 | -178.1 | -67.3 | 174.7 | 0 | 0 | 0 | 114 | V531 N532 | V531-L543 WeakPolarHBondContact CA-O 3.44Å; N532-L543 PolarHBondContact N-O 3.18Å |
| 544 | L | 66 | Low | 65.8 | Low | 48 Ų | 48 | 77.6 Ų | 77.6 | 25% | 0.251 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 131.6 | -179.2 | -172.1 | 152.9 | 0 | 0 | 0 | 111 | H529 L530 C542 Y546 | H529-L544 HydrophobicContact CB-CD2 4.02Å; H529-L544 HydrophobicContact CB-CG 4.3Å; L530-L544 CarbonylContact O-C 3.47Å; L530-L544 VanDerWaalsContact O-CA 3.25Å; L530-L544 WeakPolarHBondContact O-CA 3.3Å; C542-L544 PolarHBondContact O-N 3.25Å; C542-L544 VanDerWaalsContact O-N 3.11Å; L544-Y546 HydrophobicContact CD2-CD1 4.24Å; L544-Y546 HydrophobicContact CD2-CD2 3.78Å; L544-Y546 HydrophobicContact CD2-CE1 3.98Å; L544-Y546 HydrophobicContact CD2-CE2 3.45Å; L544-Y546 VanDerWaalsContact CD2-CE2 3.45Å; L544-Y546 HydrophobicContact CD2-CG 4.15Å |
| 545 | Y | 73.4 | Confident | 67 | Low | 31 Ų | 31 | 75.2 Ų | 75.2 | 12% | 0.122 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 122.4 | 173.6 | -61.3 | -84.2 | 0 | 0 | 0 | 110.9 | H529 L530 E541 C542 I561 L563 F624 | H529-Y545 CarbonylContact C-O 3.59Å; H529-Y545 VanDerWaalsContact CA-O 3.22Å; H529-Y545 WeakPolarHBondContact CA-O 3.24Å; H529-Y545 VanDerWaalsContact CB-O 3.27Å; H529-Y545 WeakPolarHBondContact CB-O 3.44Å; L530-Y545 PolarHBondContact N-O 3.18Å; L530-Y545 PolarHBondContact O-N 3.41Å; E541-Y545 WeakPolarHBondContact CB-OH 3.33Å; C542-Y545 HydrophobicContact CB-CD1 4.29Å; C542-Y545 HydrophobicContact CB-CE1 3.67Å; C542-Y545 HydrophobicContact CB-CE2 4.1Å; C542-Y545 PolarHBondContact N-OH 2.76Å; C542-Y545 VanDerWaalsContact N-OH 3.14Å; C542-Y545 WeakPolarHBondContact O-CE2 3.25Å; Y545-I561 HydrophobicContact CD1-CB 4.4Å; Y545-I561 HydrophobicContact CD1-CD1 4.36Å; Y545-I561 HydrophobicContact CD1-CG1 4.02Å; Y545-I561 HydrophobicContact CD1-CG2 3.73Å; Y545-I561 HydrophobicContact CD2-CG2 4.37Å; Y545-I561 HydrophobicContact CE1-CG2 3.69Å; Y545-I561 HydrophobicContact CE2-CG2 4.35Å; Y545-I561 HydrophobicContact CG-CD1 4.16Å; Y545-I561 HydrophobicContact CG-CG1 4.33Å; Y545-I561 HydrophobicContact CG-CG2 4.06Å; Y545-L563 HydrophobicContact CE2-CD2 4.37Å; Y545-F624 HydrophobicContact CD2-CE1 4.15Å; Y545-F624 AromaticContact CE2-CE1 3.82Å; Y545-F624 HydrophobicContact CE2-CE1 3.82Å; Y545-F624 HydrophobicContact CE2-CZ 4.3Å |
| 546 | Y | 76.8 | Confident | 68.5 | Low | 75 Ų | 75 | 69.5 Ų | 69.5 | 29% | 0.294 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 136.2 | 173.7 | -63.4 | -89.3 | 0 | 0 | 0 | 110.9 | M508 P524 L544 | M508-Y546 HydrophobicContact CE-CE2 3.99Å; P524-Y546 HydrophobicContact CB-CE1 4.19Å; P524-Y546 HydrophobicContact CG-CE1 3.65Å; L544-Y546 HydrophobicContact CD2-CD1 4.24Å; L544-Y546 HydrophobicContact CD2-CD2 3.78Å; L544-Y546 HydrophobicContact CD2-CE1 3.98Å; L544-Y546 HydrophobicContact CD2-CE2 3.45Å; L544-Y546 VanDerWaalsContact CD2-CE2 3.45Å; L544-Y546 HydrophobicContact CD2-CG 4.15Å |
| 547 | I | 81.6 | Confident | 69.7 | Low | 2 Ų | 2 | 71.3 Ų | 71.3 | 1% | 0.01 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -97.9 | 121.5 | 169.2 | -66.3 | 158.7 | 0 | 0 | 0 | 106.8 | P528 L530 F575 V587 F626 | P528-I547 PolarHBondContact O-N 3.14Å; L530-I547 HydrophobicContact CD2-CD1 4.11Å; L530-I547 HydrophobicContact CG-CD1 4.01Å; I547-F575 HydrophobicContact CD1-CB 4.47Å; I547-F575 HydrophobicContact CD1-CD1 3.48Å; I547-F575 VanDerWaalsContact CD1-CD1 3.48Å; I547-F575 HydrophobicContact CD1-CE1 3.85Å; I547-F575 HydrophobicContact CD1-CG 4.08Å; I547-F575 HydrophobicContact CG1-CB 4.38Å; I547-F575 HydrophobicContact CG1-CD1 4.21Å; I547-F575 HydrophobicContact CG1-CG 4.31Å; I547-F575 HydrophobicContact CG2-CB 4.04Å; I547-V587 HydrophobicContact CD1-CG1 4.29Å; I547-V587 HydrophobicContact CG2-CG1 4.09Å; I547-V587 HydrophobicContact CG2-CG2 4.47Å; I547-F626 HydrophobicContact CD1-CD2 3.8Å; I547-F626 HydrophobicContact CD1-CE2 3.7Å |
| 548 | K | 73.6 | Confident | 71.4 | Confident | 155 Ų | 155 | 73 Ų | 73 | 67% | 0.674 | 36% | 0.362 | S | S | * | . | P | Polyproline II helix | trans | -90.6 | 155.2 | -179.8 | -62.5 | -178.6 | -179.1 | -179.5 | 0 | 110.4 | T552 S577 | K548-T552 PolarHBondContact N-OG1 3.32Å; K548-S577 VanDerWaalsContact O-CB 3.3Å; K548-S577 WeakPolarHBondContact O-CB 3.39Å |
| 549 | E | 74.3 | Confident | 73.2 | Confident | 139 Ų | 139 | 66.6 Ų | 66.6 | 65% | 0.65 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -55.3 | 140.3 | 167.4 | -167.8 | 170.2 | -140.3 | 0 | 0 | 110.8 | S577 T579 | E549-S577 WeakPolarHBondContact CA-O 3.41Å; E549-T579 WeakPolarHBondContact OE1-CB 3.39Å; E549-T579 PolarHBondContact OE1-OG1 2.98Å |
| 550 | G | 82.8 | Confident | 74.6 | Confident | 24 Ų | 24 | 68.3 Ų | 68.3 | 25% | 0.247 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 82.6 | -140.7 | -165.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | V576 S577 | G550-V576 WeakPolarHBondContact O-CA 3.36Å; G550-S577 PolarHBondContact N-O 2.86Å; G550-S577 PolarHBondContact O-N 3.45Å |
| 551 | F | 85.3 | Confident | 76.2 | Confident | 135 Ų | 135 | 65.9 Ų | 65.9 | 59% | 0.592 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 123.8 | -169.1 | -60.3 | -88.3 | 0 | 0 | 0 | 112.3 | V574 V576 | F551-V574 HydrophobicContact CB-CG1 4.22Å; F551-V574 HydrophobicContact CD1-CG1 4.03Å; F551-V576 HydrophobicContact CD1-CB 4.47Å; F551-V576 HydrophobicContact CD1-CG1 4.2Å; F551-V576 HydrophobicContact CD1-CG2 3.81Å; F551-V576 HydrophobicContact CE1-CB 4.4Å; F551-V576 HydrophobicContact CE1-CG1 3.81Å; F551-V576 HydrophobicContact CE1-CG2 3.76Å; F551-V576 HydrophobicContact CZ-CG1 4.27Å |
| 552 | T | 87 | Confident | 77.4 | Confident | 7 Ų | 7 | 69.9 Ų | 69.9 | 4% | 0.043 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 103.2 | 172.2 | -58.6 | 0 | 0 | 0 | 0 | 109.2 | K548 D560 I561 F575 | K548-T552 PolarHBondContact N-OG1 3.32Å; T552-D560 HydrophobicContact CG2-CB 4.23Å; T552-I561 HydrophobicContact CG2-CD1 3.76Å; T552-I561 HydrophobicContact CG2-CG1 3.92Å; T552-F575 PolarHBondContact N-O 3.47Å; T552-F575 PolarHBondContact O-N 2.81Å |
| 553 | R | 89.7 | Confident | 78.6 | Confident | 99 Ų | 99 | 67.2 Ų | 67.2 | 37% | 0.374 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 146.4 | -177 | -59.1 | 156 | -70.1 | 178.2 | -0.5 | 111.3 | V559 D560 I561 V574 | R553-V559 HydrophobicContact CB-CB 4.3Å; R553-V559 HydrophobicContact CB-CG1 3.99Å; R553-D560 WeakPolarHBondContact CB-OD2 3.27Å; R553-D560 IonicContact CZ-OD1 3.77Å; R553-D560 IonicContact CZ-OD2 3.94Å; R553-D560 PolarHBondContact N-OD2 3.19Å; R553-D560 IonicContact NE-OD1 3.97Å; R553-D560 IonicContact NE-OD2 3.64Å; R553-D560 PolarHBondContact NE-OD2 3.27Å; R553-D560 IonicContact NH2-OD1 3.08Å; R553-D560 PolarHBondContact NH2-OD1 3.36Å; R553-D560 IonicContact NH2-OD2 2.81Å; R553-D560 PolarHBondContact NH2-OD2 2.95Å; R553-D560 VanDerWaalsContact NH2-OD2 3.15Å; R553-D560 PolarHBondContact O-N 2.74Å; R553-I561 PolarHBondContact O-N 3.4Å; R553-V574 HydrophobicContact CB-CG2 4.49Å; R553-V574 HydrophobicContact CG-CG1 4.03Å; R553-V574 HydrophobicContact CG-CG2 4Å |
| 554 | V | 88.5 | Confident | 79.1 | Confident | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.006 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 138.8 | -179.8 | -166.7 | 0 | 0 | 0 | 0 | 111 | I561 L563 H572 C573 F575 M618 | V554-I561 VanDerWaalsContact CA-O 3.27Å; V554-I561 WeakPolarHBondContact CA-O 3.25Å; V554-I561 HydrophobicContact CB-CB 4.3Å; V554-I561 HydrophobicContact CG1-CB 3.99Å; V554-I561 HydrophobicContact CG1-CG2 3.81Å; V554-I561 HydrophobicContact CG2-CB 3.98Å; V554-I561 HydrophobicContact CG2-CD1 4.12Å; V554-I561 HydrophobicContact CG2-CG1 4.49Å; V554-I561 HydrophobicContact CG2-CG2 4.47Å; V554-L563 HydrophobicContact CG1-CD1 3.61Å; V554-L563 HydrophobicContact CG1-CG 3.89Å; V554-H572 PolarHBondContact O-N 3.36Å; V554-C573 PolarHBondContact N-O 3.32Å; V554-C573 PolarHBondContact O-N 2.86Å; V554-F575 HydrophobicContact CG2-CD2 3.75Å; V554-F575 HydrophobicContact CG2-CE2 3.67Å; V554-M618 HydrophobicContact CB-SD 4.49Å; V554-M618 HydrophobicContact CG1-SD 3.79Å |
| 555 | G | 86.8 | Confident | 79.3 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 163.7 | -157.3 | 180 | 0 | 0 | 0 | 0 | 0 | 115.1 | V559 I561 K562 L563 K569 E570 | G555-V559 WeakPolarHBondContact O-CG2 3.2Å; G555-I561 PolarHBondContact N-O 3.33Å; G555-K562 CarbonylContact O-C 3.54Å; G555-K562 WeakPolarHBondContact O-CA 3.25Å; G555-L563 PolarHBondContact O-N 3.09Å; G555-K569 CarbonylContact C-O 3.58Å; G555-K569 VanDerWaalsContact CA-O 3.27Å; G555-K569 WeakPolarHBondContact CA-O 3.27Å; G555-E570 CarbonylContact C-O 3.55Å; G555-E570 WeakPolarHBondContact CA-O 3.36Å |
| 556 | Q | 78 | Confident | 79 | Confident | 67 Ų | 67 | 70.2 Ų | 70.2 | 31% | 0.313 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -94.8 | -30.9 | 178.6 | -61.4 | -170.7 | -3.3 | 0 | 0 | 114.8 | K562 G565 I568 K569 E570 | Q556-K562 PolarHBondContact O-NZ 3.33Å; Q556-G565 PolarHBondContact NE2-O 2.72Å; Q556-I568 HydrophobicContact CG-CB 4.23Å; Q556-I568 HydrophobicContact CG-CG2 3.93Å; Q556-I568 PolarHBondContact NE2-O 3.48Å; Q556-K569 PolarHBondContact N-O 2.89Å; Q556-E570 PolarHBondContact N-O 3.47Å |
| 557 | Q | 72.6 | Confident | 79.1 | Confident | 103 Ų | 103 | 70.5 Ų | 70.5 | 48% | 0.481 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -139.2 | 139.3 | -172.1 | -59.1 | -158.9 | 84.3 | 0 | 0 | 111.5 | V559 E570 | Q557-V559 VanDerWaalsContact C-N 3.29Å; Q557-V559 WeakPolarHBondContact O-CG1 3.45Å; Q557-V559 PolarHBondContact O-N 3.11Å; Q557-E570 HydrophobicContact CB-CB 4.5Å; Q557-E570 PolarHBondContact N-O 2.81Å; Q557-E570 PolarHBondContact NE2-OE1 3.34Å; Q557-E570 VanDerWaalsContact O-O 3.13Å |
| 558 | D | 76.8 | Confident | 79.3 | Confident | 147 Ų | 147 | 70.8 Ų | 70.8 | 79% | 0.786 | 35% | 0.352 | S | S | * | . | S | Bend | trans | 50.7 | 42.4 | 176.8 | -57.4 | -14.2 | 0 | 0 | 0 | 115.3 | ||
| 559 | V | 80.2 | Confident | 79.9 | Confident | 25 Ų | 25 | 68.5 Ų | 68.5 | 15% | 0.152 | 34% | 0.342 | C | S | . | . | trans | -123.8 | 159.5 | -177.6 | -74.4 | 0 | 0 | 0 | 0 | 112.3 | R553 G555 Q557 I561 K562 I571 | R553-V559 HydrophobicContact CB-CB 4.3Å; R553-V559 HydrophobicContact CB-CG1 3.99Å; G555-V559 WeakPolarHBondContact O-CG2 3.2Å; Q557-V559 VanDerWaalsContact C-N 3.29Å; Q557-V559 WeakPolarHBondContact O-CG1 3.45Å; Q557-V559 PolarHBondContact O-N 3.11Å; V559-I561 WeakPolarHBondContact CG2-O 3.17Å; V559-K562 HydrophobicContact CG2-CB 4.39Å; V559-I571 HydrophobicContact CG1-CB 4.33Å; V559-I571 HydrophobicContact CG1-CG1 3.81Å; V559-I571 HydrophobicContact CG1-CG2 4.37Å | ||
| 560 | D | 77.7 | Confident | 80.4 | Confident | 85 Ų | 85 | 67.6 Ų | 67.6 | 46% | 0.455 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -84.5 | -34.5 | -176.5 | -45.9 | -74.8 | 0 | 0 | 0 | 111.9 | T552 R553 | T552-D560 HydrophobicContact CG2-CB 4.23Å; R553-D560 WeakPolarHBondContact CB-OD2 3.27Å; R553-D560 IonicContact CZ-OD1 3.77Å; R553-D560 IonicContact CZ-OD2 3.94Å; R553-D560 PolarHBondContact N-OD2 3.19Å; R553-D560 IonicContact NE-OD1 3.97Å; R553-D560 IonicContact NE-OD2 3.64Å; R553-D560 PolarHBondContact NE-OD2 3.27Å; R553-D560 IonicContact NH2-OD1 3.08Å; R553-D560 PolarHBondContact NH2-OD1 3.36Å; R553-D560 IonicContact NH2-OD2 2.81Å; R553-D560 PolarHBondContact NH2-OD2 2.95Å; R553-D560 VanDerWaalsContact NH2-OD2 3.15Å; R553-D560 PolarHBondContact O-N 2.74Å |
| 561 | I | 81.4 | Confident | 80.5 | Confident | 6 Ų | 6 | 69.4 Ų | 69.4 | 3% | 0.031 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 110.1 | 167.2 | -60.9 | 175.1 | 0 | 0 | 0 | 108.2 | L530 Y545 T552 R553 V554 G555 V559 L563 | L530-I561 HydrophobicContact CD1-CD1 4.22Å; Y545-I561 HydrophobicContact CD1-CB 4.4Å; Y545-I561 HydrophobicContact CD1-CD1 4.36Å; Y545-I561 HydrophobicContact CD1-CG1 4.02Å; Y545-I561 HydrophobicContact CD1-CG2 3.73Å; Y545-I561 HydrophobicContact CD2-CG2 4.37Å; Y545-I561 HydrophobicContact CE1-CG2 3.69Å; Y545-I561 HydrophobicContact CE2-CG2 4.35Å; Y545-I561 HydrophobicContact CG-CD1 4.16Å; Y545-I561 HydrophobicContact CG-CG1 4.33Å; Y545-I561 HydrophobicContact CG-CG2 4.06Å; T552-I561 HydrophobicContact CG2-CD1 3.76Å; T552-I561 HydrophobicContact CG2-CG1 3.92Å; R553-I561 PolarHBondContact O-N 3.4Å; V554-I561 VanDerWaalsContact CA-O 3.27Å; V554-I561 WeakPolarHBondContact CA-O 3.25Å; V554-I561 HydrophobicContact CB-CB 4.3Å; V554-I561 HydrophobicContact CG1-CB 3.99Å; V554-I561 HydrophobicContact CG1-CG2 3.81Å; V554-I561 HydrophobicContact CG2-CB 3.98Å; V554-I561 HydrophobicContact CG2-CD1 4.12Å; V554-I561 HydrophobicContact CG2-CG1 4.49Å; V554-I561 HydrophobicContact CG2-CG2 4.47Å; G555-I561 PolarHBondContact N-O 3.33Å; V559-I561 WeakPolarHBondContact CG2-O 3.17Å; I561-L563 HydrophobicContact CG2-CD2 4.17Å; I561-L563 HydrophobicContact CG2-CG 4.22Å |
| 562 | K | 79.8 | Confident | 80.6 | Confident | 134 Ų | 134 | 63 Ų | 63 | 58% | 0.583 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 120 | 179.1 | -167.2 | -171.8 | -175 | 75.4 | 0 | 110.3 | G555 Q556 V559 | G555-K562 CarbonylContact O-C 3.54Å; G555-K562 WeakPolarHBondContact O-CA 3.25Å; Q556-K562 PolarHBondContact O-NZ 3.33Å; V559-K562 HydrophobicContact CG2-CB 4.39Å |
| 563 | L | 78.1 | Confident | 80.8 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 31% | 0.311 | C | S | . | . | trans | -118.6 | 140.2 | 174.3 | -58.7 | -179.5 | 0 | 0 | 0 | 110.8 | E541 Y545 V554 G555 I561 I568 M618 H622 F624 | E541-L563 VanDerWaalsContact OE2-CA 3.23Å; E541-L563 WeakPolarHBondContact OE2-CA 3.16Å; Y545-L563 HydrophobicContact CE2-CD2 4.37Å; V554-L563 HydrophobicContact CG1-CD1 3.61Å; V554-L563 HydrophobicContact CG1-CG 3.89Å; G555-L563 PolarHBondContact O-N 3.09Å; I561-L563 HydrophobicContact CG2-CD2 4.17Å; I561-L563 HydrophobicContact CG2-CG 4.22Å; L563-I568 HydrophobicContact CB-CG1 4.18Å; L563-I568 HydrophobicContact CB-CG2 4.2Å; L563-I568 HydrophobicContact CD1-CD1 4.49Å; L563-M618 HydrophobicContact CD1-CB 4.46Å; L563-M618 HydrophobicContact CD1-SD 3.68Å; L563-H622 HydrophobicContact CD1-CB 4.26Å; L563-F624 HydrophobicContact CD1-CE2 3.78Å; L563-F624 HydrophobicContact CD1-CZ 3.9Å; L563-F624 HydrophobicContact CD2-CZ 3.85Å | ||
| 564 | S | 71.1 | Confident | 80.9 | Confident | 64 Ų | 64 | 59.1 Ų | 59.1 | 45% | 0.448 | 30% | 0.3 | S | S | . | . | trans | -108.3 | 143.1 | 179.9 | 67.6 | 0 | 0 | 0 | 0 | 113.3 | E541 H622 | E541-S564 WeakPolarHBondContact OE1-CB 3.29Å; E541-S564 PolarHBondContact OE1-N 3.37Å; E541-S564 PolarHBondContact OE1-OG 3.25Å; E541-S564 PolarHBondContact OE2-N 2.87Å; S564-H622 PolarHBondContact O-NE2 3.26Å | ||
| 565 | G | 70.1 | Confident | 81.1 | Confident | 34 Ų | 34 | 59.1 Ų | 59.1 | 35% | 0.351 | 30% | 0.3 | S | S | . | . | S | Bend | trans | 143.3 | 150.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113 | Q556 F567 I568 | Q556-G565 PolarHBondContact NE2-O 2.72Å; G565-F567 PolarHBondContact O-N 3.34Å; G565-F567 VanDerWaalsContact O-N 3.09Å; G565-I568 PolarHBondContact O-N 3.39Å |
| 566 | Q | 67.6 | Low | 81.2 | Confident | 173 Ų | 173 | 59.6 Ų | 59.6 | 81% | 0.808 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -22.5 | -171.9 | -168.8 | 176.4 | 8.2 | 0 | 0 | 114.6 | ||
| 567 | F | 78.9 | Confident | 81.7 | Confident | 81 Ų | 81 | 56.6 Ų | 56.6 | 36% | 0.355 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | 0 | -179.2 | -55.4 | -71 | 0 | 0 | 0 | 113.8 | G565 H572 K620 | G565-F567 PolarHBondContact O-N 3.34Å; G565-F567 VanDerWaalsContact O-N 3.09Å; F567-H572 PolarHBondContact O-CE1 2.84Å; F567-K620 HydrophobicContact CB-CG 4.15Å; F567-K620 HydrophobicContact CD1-CD 3.98Å; F567-K620 HydrophobicContact CD1-CG 4.49Å; F567-K620 HydrophobicContact CD2-CB 4.16Å; F567-K620 HydrophobicContact CD2-CD 3.78Å; F567-K620 HydrophobicContact CD2-CG 3.98Å; F567-K620 HydrophobicContact CE1-CD 4.15Å; F567-K620 HydrophobicContact CE2-CD 3.95Å; F567-K620 HydrophobicContact CG-CD 3.8Å; F567-K620 HydrophobicContact CG-CG 3.93Å; F567-K620 HydrophobicContact CZ-CD 4.14Å |
| 568 | I | 86.2 | Confident | 82.2 | Confident | 8 Ų | 8 | 57.1 Ų | 57.1 | 4% | 0.041 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -87.9 | 140.5 | 167.4 | -58.6 | -57.3 | 0 | 0 | 0 | 108.8 | Q556 L563 G565 H572 M618 | Q556-I568 HydrophobicContact CG-CB 4.23Å; Q556-I568 HydrophobicContact CG-CG2 3.93Å; Q556-I568 PolarHBondContact NE2-O 3.48Å; L563-I568 HydrophobicContact CB-CG1 4.18Å; L563-I568 HydrophobicContact CB-CG2 4.2Å; L563-I568 HydrophobicContact CD1-CD1 4.49Å; G565-I568 PolarHBondContact O-N 3.39Å; I568-H572 HydrophobicContact CG2-CB 4.17Å; I568-M618 HydrophobicContact CD1-CB 3.84Å |
| 569 | K | 84.8 | Confident | 82.4 | Confident | 106 Ų | 106 | 53.2 Ų | 53.2 | 46% | 0.461 | 27% | 0.274 | S | S | . | . | trans | -94 | 166.4 | -179.9 | -61.4 | -66.3 | -171.8 | 176.8 | 0 | 110.4 | G555 Q556 I571 H572 G594 A595 | G555-K569 CarbonylContact C-O 3.58Å; G555-K569 VanDerWaalsContact CA-O 3.27Å; G555-K569 WeakPolarHBondContact CA-O 3.27Å; Q556-K569 PolarHBondContact N-O 2.89Å; K569-I571 VanDerWaalsContact C-N 3.31Å; K569-I571 WeakPolarHBondContact CB-O 3.19Å; K569-I571 PolarHBondContact O-N 2.71Å; K569-H572 HydrophobicContact CB-CB 4.13Å; K569-H572 PolarHBondContact N-ND1 3.38Å; K569-G594 WeakPolarHBondContact CE-O 3.25Å; K569-G594 PolarHBondContact NZ-O 3.46Å; K569-A595 HydrophobicContact CG-CB 4.26Å | ||
| 570 | E | 84.3 | Confident | 82.2 | Confident | 120 Ų | 120 | 55.8 Ų | 55.8 | 56% | 0.561 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -53.5 | -49.4 | 176.8 | -62.2 | -171.2 | 132.5 | 0 | 0 | 111.6 | G555 Q556 Q557 | G555-E570 CarbonylContact C-O 3.55Å; G555-E570 WeakPolarHBondContact CA-O 3.36Å; Q556-E570 PolarHBondContact N-O 3.47Å; Q557-E570 HydrophobicContact CB-CB 4.5Å; Q557-E570 PolarHBondContact N-O 2.81Å; Q557-E570 PolarHBondContact NE2-OE1 3.34Å; Q557-E570 VanDerWaalsContact O-O 3.13Å |
| 571 | I | 86.7 | Confident | 81.9 | Confident | 62 Ų | 62 | 60.3 Ų | 60.3 | 32% | 0.318 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -118.8 | 132.3 | 154.7 | -55.4 | 174.5 | 0 | 0 | 0 | 106.1 | V559 K569 L592 | V559-I571 HydrophobicContact CG1-CB 4.33Å; V559-I571 HydrophobicContact CG1-CG1 3.81Å; V559-I571 HydrophobicContact CG1-CG2 4.37Å; K569-I571 VanDerWaalsContact C-N 3.31Å; K569-I571 WeakPolarHBondContact CB-O 3.19Å; K569-I571 PolarHBondContact O-N 2.71Å; I571-L592 HydrophobicContact CB-CD2 4.12Å; I571-L592 HydrophobicContact CG2-CD2 4.41Å; I571-L592 WeakPolarHBondContact O-CD2 3.48Å |
| 572 | H | 87.3 | Confident | 81.2 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 35% | 0.346 | C | S | . | . | trans | -114.6 | -45.4 | -171.6 | -172.5 | 93.9 | 0 | 0 | 0 | 112 | V554 F567 I568 K569 L592 A595 E596 T597 G619 | V554-H572 PolarHBondContact O-N 3.36Å; F567-H572 PolarHBondContact O-CE1 2.84Å; I568-H572 HydrophobicContact CG2-CB 4.17Å; K569-H572 HydrophobicContact CB-CB 4.13Å; K569-H572 PolarHBondContact N-ND1 3.38Å; H572-L592 WeakPolarHBondContact O-CB 3.4Å; H572-L592 PolarHBondContact O-N 2.92Å; H572-A595 WeakPolarHBondContact O-CB 3.19Å; H572-E596 PolarHBondContact CE1-O 3.02Å; H572-E596 PolarHBondContact NE2-O 3.02Å; H572-T597 PolarHBondContact NE2-OG1 2.86Å; H572-G619 PolarHBondContact CE1-N 3.36Å; H572-G619 PolarHBondContact NE2-N 2.85Å | ||
| 573 | C | 91.5 | Very high | 80.5 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 168.8 | 172.7 | 59.1 | 0 | 0 | 0 | 0 | 110.7 | V554 L589 E590 | V554-C573 PolarHBondContact N-O 3.32Å; V554-C573 PolarHBondContact O-N 2.86Å; C573-L589 HydrophobicContact CB-CD1 3.82Å; C573-E590 CarbonylContact C-O 3.55Å; C573-E590 WeakPolarHBondContact CA-O 3.43Å; C573-E590 VanDerWaalsContact CB-O 3.25Å; C573-E590 WeakPolarHBondContact CB-O 3.39Å |
| 574 | V | 91.1 | Very high | 80.3 | Confident | 26 Ų | 26 | 68.3 Ų | 68.3 | 16% | 0.158 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 132.4 | 176.8 | -169.8 | 0 | 0 | 0 | 0 | 108.9 | F551 R553 V576 E590 | F551-V574 HydrophobicContact CB-CG1 4.22Å; F551-V574 HydrophobicContact CD1-CG1 4.03Å; R553-V574 HydrophobicContact CB-CG2 4.49Å; R553-V574 HydrophobicContact CG-CG1 4.03Å; R553-V574 HydrophobicContact CG-CG2 4Å; V574-V576 HydrophobicContact CG1-CG2 4.45Å; V574-E590 PolarHBondContact N-O 3.09Å; V574-E590 PolarHBondContact O-N 2.76Å |
| 575 | F | 91.8 | Very high | 80.6 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 125 | 167.1 | -67.5 | -106.8 | 0 | 0 | 0 | 107.9 | L530 I547 T552 V554 V587 T588 L589 L610 I616 M618 | L530-F575 HydrophobicContact CD1-CE1 4.27Å; L530-F575 HydrophobicContact CD1-CE2 4.06Å; L530-F575 HydrophobicContact CD1-CZ 3.69Å; L530-F575 HydrophobicContact CD2-CE1 3.84Å; L530-F575 HydrophobicContact CD2-CZ 3.93Å; L530-F575 HydrophobicContact CG-CE1 4.46Å; L530-F575 HydrophobicContact CG-CZ 4.33Å; I547-F575 HydrophobicContact CD1-CB 4.47Å; I547-F575 HydrophobicContact CD1-CD1 3.48Å; I547-F575 VanDerWaalsContact CD1-CD1 3.48Å; I547-F575 HydrophobicContact CD1-CE1 3.85Å; I547-F575 HydrophobicContact CD1-CG 4.08Å; I547-F575 HydrophobicContact CG1-CB 4.38Å; I547-F575 HydrophobicContact CG1-CD1 4.21Å; I547-F575 HydrophobicContact CG1-CG 4.31Å; I547-F575 HydrophobicContact CG2-CB 4.04Å; T552-F575 PolarHBondContact N-O 3.47Å; T552-F575 PolarHBondContact O-N 2.81Å; V554-F575 HydrophobicContact CG2-CD2 3.75Å; V554-F575 HydrophobicContact CG2-CE2 3.67Å; F575-V587 HydrophobicContact CB-CG1 4.37Å; F575-V587 HydrophobicContact CD1-CG1 3.99Å; F575-T588 CarbonylContact C-O 3.48Å; F575-T588 WeakPolarHBondContact CA-O 3.45Å; F575-L589 HydrophobicContact CD1-CD1 4.2Å; F575-L589 HydrophobicContact CD2-CD1 3.86Å; F575-L589 HydrophobicContact CE1-CD1 4.01Å; F575-L589 HydrophobicContact CE1-CD2 4.49Å; F575-L589 HydrophobicContact CE2-CD1 3.6Å; F575-L589 HydrophobicContact CG-CD1 4.15Å; F575-L589 HydrophobicContact CZ-CD1 3.69Å; F575-L589 HydrophobicContact CZ-CD2 4.32Å; F575-L610 HydrophobicContact CD1-CD1 3.76Å; F575-L610 HydrophobicContact CE1-CD1 3.47Å; F575-L610 VanDerWaalsContact CE1-CD1 3.47Å; F575-I616 HydrophobicContact CE1-CD1 3.81Å; F575-I616 HydrophobicContact CZ-CD1 3.98Å; F575-M618 HydrophobicContact CE2-CE 3.66Å; F575-M618 HydrophobicContact CZ-CE 3.64Å |
| 576 | V | 89.9 | Confident | 81.3 | Confident | 11 Ų | 11 | 67 Ų | 67 | 7% | 0.067 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 116 | 176.6 | -169.6 | 0 | 0 | 0 | 0 | 106.9 | G550 F551 V574 E578 V587 T588 E590 | G550-V576 WeakPolarHBondContact O-CA 3.36Å; F551-V576 HydrophobicContact CD1-CB 4.47Å; F551-V576 HydrophobicContact CD1-CG1 4.2Å; F551-V576 HydrophobicContact CD1-CG2 3.81Å; F551-V576 HydrophobicContact CE1-CB 4.4Å; F551-V576 HydrophobicContact CE1-CG1 3.81Å; F551-V576 HydrophobicContact CE1-CG2 3.76Å; F551-V576 HydrophobicContact CZ-CG1 4.27Å; V574-V576 HydrophobicContact CG1-CG2 4.45Å; V576-E578 HydrophobicContact CG1-CG 4.07Å; V576-V587 CarbonylContact O-C 3.42Å; V576-V587 WeakPolarHBondContact O-CA 3.44Å; V576-T588 PolarHBondContact N-O 2.86Å; V576-T588 PolarHBondContact O-N 2.88Å; V576-E590 HydrophobicContact CG2-CG 4.12Å |
| 577 | S | 87.4 | Confident | 82.3 | Confident | 3 Ų | 3 | 58.9 Ų | 58.9 | 2% | 0.021 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 111.1 | -179.6 | -173.9 | 0 | 0 | 0 | 0 | 109.3 | K548 E549 G550 V585 V586 | K548-S577 VanDerWaalsContact O-CB 3.3Å; K548-S577 WeakPolarHBondContact O-CB 3.39Å; E549-S577 WeakPolarHBondContact CA-O 3.41Å; G550-S577 PolarHBondContact N-O 2.86Å; G550-S577 PolarHBondContact O-N 3.45Å; S577-V585 WeakPolarHBondContact OG-CG1 3.33Å; S577-V586 WeakPolarHBondContact CA-O 3.32Å |
| 578 | E | 84.6 | Confident | 82.8 | Confident | 114 Ų | 114 | 56.4 Ų | 56.4 | 53% | 0.533 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 144 | -175.4 | -71.4 | 176.6 | 171.8 | 0 | 0 | 110.6 | V576 V586 | V576-E578 HydrophobicContact CG1-CG 4.07Å; E578-V586 PolarHBondContact N-O 2.81Å; E578-V586 PolarHBondContact O-N 3.12Å |
| 579 | T | 79.5 | Confident | 83.1 | Confident | 66 Ų | 66 | 56 Ų | 56 | 41% | 0.405 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 116.9 | 177.3 | -57.3 | 0 | 0 | 0 | 0 | 109.4 | E549 | E549-T579 WeakPolarHBondContact OE1-CB 3.39Å; E549-T579 PolarHBondContact OE1-OG1 2.98Å |
| 580 | N | 76.9 | Confident | 83.4 | Confident | 78 Ų | 78 | 55 Ų | 55 | 42% | 0.417 | 30% | 0.295 | S | S | . | . | trans | -66.8 | 164.1 | -179.6 | -76.7 | -21.9 | 0 | 0 | 0 | 112.6 | Q582 G583 E584 V586 | N580-Q582 PolarHBondContact O-N 3.07Å; N580-G583 PolarHBondContact O-N 2.99Å; N580-E584 PolarHBondContact N-O 3.49Å; N580-V586 WeakPolarHBondContact ND2-CG2 3.38Å | ||
| 581 | D | 70.9 | Confident | 83.7 | Confident | 181 Ų | 181 | 50.3 Ų | 50.3 | 97% | 0.968 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | -15.4 | 172.6 | -64.2 | -43.4 | 0 | 0 | 0 | 115 | ||
| 582 | Q | 67.5 | Low | 83.7 | Confident | 167 Ų | 167 | 51.6 Ų | 51.6 | 78% | 0.78 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | 0.5 | 178.3 | -60.1 | -175.6 | 8.7 | 0 | 0 | 113.4 | N580 E584 | N580-Q582 PolarHBondContact O-N 3.07Å; Q582-E584 VanDerWaalsContact C-N 3.34Å |
| 583 | G | 64.6 | Low | 83.3 | Confident | 52 Ų | 52 | 58.6 Ų | 58.6 | 54% | 0.536 | 32% | 0.324 | S | S | . | . | S | Bend | trans | 82.7 | 3.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115 | N580 | N580-G583 PolarHBondContact O-N 2.99Š|
| 584 | E | 73.1 | Confident | 82.6 | Confident | 89 Ų | 89 | 61.4 Ų | 61.4 | 42% | 0.416 | 35% | 0.353 | S | S | . | . | trans | -83.9 | 127.3 | 176.5 | -63.1 | -169.6 | 155.2 | 0 | 0 | 111.3 | N580 Q582 L634 | N580-E584 PolarHBondContact N-O 3.49Å; Q582-E584 VanDerWaalsContact C-N 3.34Å; E584-L634 WeakPolarHBondContact OE1-CD2 3.48Å | ||
| 585 | V | 78.1 | Confident | 82.3 | Confident | 35 Ų | 35 | 60.5 Ų | 60.5 | 21% | 0.212 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 128.7 | 171.5 | -177.3 | 0 | 0 | 0 | 0 | 109.7 | P528 S577 | P528-V585 HydrophobicContact CG-CG1 4.2Å; S577-V585 WeakPolarHBondContact OG-CG1 3.33Å |
| 586 | V | 84.3 | Confident | 82 | Confident | 36 Ų | 36 | 63.1 Ų | 63.1 | 22% | 0.218 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 133.5 | 175.5 | 177.3 | 0 | 0 | 0 | 0 | 109.5 | S577 E578 N580 V609 | S577-V586 WeakPolarHBondContact CA-O 3.32Å; E578-V586 PolarHBondContact N-O 2.81Å; E578-V586 PolarHBondContact O-N 3.12Å; N580-V586 WeakPolarHBondContact ND2-CG2 3.38Å; V586-V609 HydrophobicContact CG1-CG1 3.63Å; V586-V609 HydrophobicContact CG1-CG2 4.43Å |
| 587 | V | 88.1 | Confident | 81.9 | Confident | 1 Ų | 1 | 62.6 Ų | 62.6 | 1% | 0.006 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 122.6 | 177.9 | -174 | 0 | 0 | 0 | 0 | 110.5 | P528 I547 F575 V576 L610 F626 | P528-V587 HydrophobicContact CB-CG2 3.84Å; P528-V587 HydrophobicContact CG-CG2 3.91Å; I547-V587 HydrophobicContact CD1-CG1 4.29Å; I547-V587 HydrophobicContact CG2-CG1 4.09Å; I547-V587 HydrophobicContact CG2-CG2 4.47Å; F575-V587 HydrophobicContact CB-CG1 4.37Å; F575-V587 HydrophobicContact CD1-CG1 3.99Å; V576-V587 CarbonylContact O-C 3.42Å; V576-V587 WeakPolarHBondContact O-CA 3.44Å; V587-L610 HydrophobicContact CG1-CD1 4.17Å; V587-L610 PolarHBondContact O-N 2.94Å; V587-F626 HydrophobicContact CB-CE2 4.01Å; V587-F626 HydrophobicContact CB-CZ 3.72Å; V587-F626 HydrophobicContact CG1-CE2 4.01Å; V587-F626 HydrophobicContact CG1-CZ 4.22Å; V587-F626 HydrophobicContact CG2-CE2 4.02Å; V587-F626 HydrophobicContact CG2-CZ 3.76Å |
| 588 | T | 91 | Very high | 81.9 | Confident | 30 Ų | 30 | 65.3 Ų | 65.3 | 18% | 0.184 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 138.2 | 176.4 | -58.5 | 0 | 0 | 0 | 0 | 109.9 | F575 V576 E590 A607 | F575-T588 CarbonylContact C-O 3.48Å; F575-T588 WeakPolarHBondContact CA-O 3.45Å; V576-T588 PolarHBondContact N-O 2.86Å; V576-T588 PolarHBondContact O-N 2.88Å; T588-E590 HydrophobicContact CG2-CG 4.47Å; T588-A607 HydrophobicContact CG2-CB 3.83Å |
| 589 | L | 91.7 | Very high | 82 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 120.6 | 175.7 | 176.3 | 58.7 | 0 | 0 | 0 | 110.5 | C573 F575 T597 V599 I604 A607 V608 L610 I616 | C573-L589 HydrophobicContact CB-CD1 3.82Å; F575-L589 HydrophobicContact CD1-CD1 4.2Å; F575-L589 HydrophobicContact CD2-CD1 3.86Å; F575-L589 HydrophobicContact CE1-CD1 4.01Å; F575-L589 HydrophobicContact CE1-CD2 4.49Å; F575-L589 HydrophobicContact CE2-CD1 3.6Å; F575-L589 HydrophobicContact CG-CD1 4.15Å; F575-L589 HydrophobicContact CZ-CD1 3.69Å; F575-L589 HydrophobicContact CZ-CD2 4.32Å; L589-T597 HydrophobicContact CD2-CG2 4.06Å; L589-V599 HydrophobicContact CD2-CG2 3.85Å; L589-I604 HydrophobicContact CB-CD1 4.47Å; L589-I604 HydrophobicContact CD2-CD1 3.75Å; L589-I604 HydrophobicContact CG-CD1 3.79Å; L589-A607 WeakPolarHBondContact O-CA 3.38Å; L589-V608 PolarHBondContact N-O 3.49Å; L589-V608 PolarHBondContact O-N 3.16Å; L589-L610 HydrophobicContact CB-CD1 4.01Å; L589-L610 HydrophobicContact CB-CD2 4.1Å; L589-L610 HydrophobicContact CB-CG 4.04Å; L589-L610 HydrophobicContact CD2-CD2 4.31Å; L589-I616 HydrophobicContact CD2-CD1 4.21Å; L589-I616 HydrophobicContact CD2-CG1 4.5Å; L589-I616 HydrophobicContact CD2-CG2 3.83Å |
| 590 | E | 91.6 | Very high | 82.1 | Confident | 85 Ų | 85 | 61.4 Ų | 61.4 | 40% | 0.397 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 115.6 | 177.7 | -55.4 | -161.4 | 139 | 0 | 0 | 110.6 | C573 V574 V576 T588 A607 | C573-E590 CarbonylContact C-O 3.55Å; C573-E590 WeakPolarHBondContact CA-O 3.43Å; C573-E590 VanDerWaalsContact CB-O 3.25Å; C573-E590 WeakPolarHBondContact CB-O 3.39Å; V574-E590 PolarHBondContact N-O 3.09Å; V574-E590 PolarHBondContact O-N 2.76Å; V576-E590 HydrophobicContact CG2-CG 4.12Å; T588-E590 HydrophobicContact CG2-CG 4.47Å; E590-A607 HydrophobicContact CG-CB 3.89Å |
| 591 | P | 90.8 | Very high | 82.1 | Confident | 21 Ų | 21 | 58.5 Ų | 58.5 | 14% | 0.136 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 137.9 | 175.5 | 33.1 | -32.5 | 0 | 0 | 0 | 110.5 | I604 E606 | P591-I604 HydrophobicContact CB-CD1 4.3Å; P591-I604 HydrophobicContact CB-CG1 4.17Å; P591-I604 HydrophobicContact CG-CB 4.44Å; P591-I604 HydrophobicContact CG-CD1 4.08Å; P591-I604 HydrophobicContact CG-CG1 3.98Å; P591-I604 WeakPolarHBondContact CG-O 3.28Å; P591-E606 WeakPolarHBondContact CD-O 3.36Å |
| 592 | L | 87.1 | Confident | 82.6 | Confident | 88 Ų | 88 | 57.7 Ų | 57.7 | 46% | 0.461 | 33% | 0.325 | S | S | . | . | trans | -75.5 | 149.9 | 173.7 | -163.4 | 67.2 | 0 | 0 | 0 | 110.7 | I571 H572 G594 A595 | I571-L592 HydrophobicContact CB-CD2 4.12Å; I571-L592 HydrophobicContact CG2-CD2 4.41Å; I571-L592 WeakPolarHBondContact O-CD2 3.48Å; H572-L592 WeakPolarHBondContact O-CB 3.4Å; H572-L592 PolarHBondContact O-N 2.92Å; L592-G594 PolarHBondContact O-N 2.82Å; L592-G594 VanDerWaalsContact O-N 3.07Å; L592-A595 HydrophobicContact CB-CB 4.49Å; L592-A595 VanDerWaalsContact O-CB 3.25Å; L592-A595 WeakPolarHBondContact O-CB 3.5Å; L592-A595 PolarHBondContact O-N 2.73Å | ||
| 593 | V | 78.9 | Confident | 83.5 | Confident | 148 Ų | 148 | 54.9 Ų | 54.9 | 90% | 0.897 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | 115.6 | -179.5 | -176.9 | 0 | 0 | 0 | 0 | 111.3 | ||
| 594 | G | 75.3 | Confident | 84.6 | Confident | 59 Ų | 59 | 53.1 Ų | 53.1 | 61% | 0.608 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81 | 15.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | K569 L592 | K569-G594 WeakPolarHBondContact CE-O 3.25Å; K569-G594 PolarHBondContact NZ-O 3.46Å; L592-G594 PolarHBondContact O-N 2.82Å; L592-G594 VanDerWaalsContact O-N 3.07Å |
| 595 | A | 84.9 | Confident | 85 | Confident | 6 Ų | 6 | 54.4 Ų | 54.4 | 5% | 0.05 | 30% | 0.304 | C | S | . | . | trans | -87.1 | 131.2 | 165.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | K569 H572 L592 T597 | K569-A595 HydrophobicContact CG-CB 4.26Å; H572-A595 WeakPolarHBondContact O-CB 3.19Å; L592-A595 HydrophobicContact CB-CB 4.49Å; L592-A595 VanDerWaalsContact O-CB 3.25Å; L592-A595 WeakPolarHBondContact O-CB 3.5Å; L592-A595 PolarHBondContact O-N 2.73Å; A595-T597 PolarHBondContact O-N 3.04Å; A595-T597 VanDerWaalsContact O-N 3.11Å | ||
| 596 | E | 85.4 | Confident | 85.3 | Confident | 55 Ų | 55 | 60 Ų | 60 | 26% | 0.257 | 33% | 0.327 | S | S | . | . | trans | -76.5 | 91.3 | 172 | -70.4 | 171.2 | 150.1 | 0 | 0 | 108.9 | H572 Y598 G619 K620 | H572-E596 PolarHBondContact CE1-O 3.02Å; H572-E596 PolarHBondContact NE2-O 3.02Å; E596-Y598 HydrophobicContact CB-CE2 4.07Å; E596-G619 PolarHBondContact O-N 3.14Å; E596-K620 WeakPolarHBondContact OE1-CE 3.39Å; E596-K620 IonicContact OE1-NZ 2.76Å; E596-K620 PolarHBondContact OE1-NZ 3.41Å; E596-K620 VanDerWaalsContact OE1-NZ 3.17Å; E596-K620 WeakPolarHBondContact OE2-CE 3.47Å; E596-K620 IonicContact OE2-NZ 2.74Å | ||
| 597 | T | 88.4 | Confident | 85.4 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 134.5 | 176 | -51.7 | 0 | 0 | 0 | 0 | 110.6 | H572 L589 A595 Q603 I604 V617 | H572-T597 PolarHBondContact NE2-OG1 2.86Å; L589-T597 HydrophobicContact CD2-CG2 4.06Å; A595-T597 PolarHBondContact O-N 3.04Å; A595-T597 VanDerWaalsContact O-N 3.11Å; T597-Q603 WeakPolarHBondContact O-CA 3.34Å; T597-Q603 WeakPolarHBondContact O-CG 3.44Å; T597-I604 HydrophobicContact CG2-CD1 3.92Å; T597-I604 HydrophobicContact CG2-CG1 3.95Å; T597-I604 PolarHBondContact O-N 2.86Å; T597-V617 WeakPolarHBondContact CA-O 3.29Å |
| 598 | Y | 87.1 | Confident | 85.5 | Confident | 61 Ų | 61 | 63.2 Ų | 63.2 | 24% | 0.239 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 143.9 | -178.6 | -50.2 | -103.2 | 0 | 0 | 0 | 111.2 | E596 K602 Q603 I616 V617 | E596-Y598 HydrophobicContact CB-CE2 4.07Å; Y598-K602 CarbonylContact C-O 3.57Å; Y598-K602 WeakPolarHBondContact CA-O 3.38Å; Y598-Q603 VanDerWaalsContact CD1-CA 3.47Å; Y598-Q603 HydrophobicContact CD1-CB 3.63Å; Y598-Q603 HydrophobicContact CD1-CG 4.09Å; Y598-Q603 HydrophobicContact CE1-CB 3.54Å; Y598-Q603 HydrophobicContact CE1-CG 3.79Å; Y598-I616 CarbonylContact O-C 3.58Å; Y598-I616 WeakPolarHBondContact O-CA 3.41Å; Y598-V617 HydrophobicContact CD2-CB 4.12Å; Y598-V617 HydrophobicContact CD2-CG1 4.37Å; Y598-V617 PolarHBondContact N-O 3.27Å; Y598-V617 PolarHBondContact O-N 3.24Å |
| 599 | V | 86.7 | Confident | 85.4 | Confident | 10 Ų | 10 | 65.8 Ų | 65.8 | 6% | 0.061 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 124.7 | 171.8 | -175.5 | 0 | 0 | 0 | 0 | 108.7 | L589 G601 K602 I604 L610 N614 R615 I616 | L589-V599 HydrophobicContact CD2-CG2 3.85Å; V599-G601 PolarHBondContact O-N 3.01Å; V599-K602 PolarHBondContact N-O 3.39Å; V599-K602 PolarHBondContact O-N 3.33Å; V599-I604 HydrophobicContact CB-CG2 4.25Å; V599-I604 HydrophobicContact CG2-CD1 3.86Å; V599-I604 HydrophobicContact CG2-CG1 4.34Å; V599-I604 HydrophobicContact CG2-CG2 4.01Å; V599-L610 HydrophobicContact CG1-CD2 4.05Å; V599-L610 HydrophobicContact CG2-CD2 4.2Å; V599-N614 HydrophobicContact CG1-CB 4.2Å; V599-R615 CarbonylContact C-O 3.54Å; V599-R615 WeakPolarHBondContact CA-O 3.45Å; V599-I616 HydrophobicContact CG2-CG1 4.45Å |
| 600 | N | 82.7 | Confident | 85.2 | Confident | 88 Ų | 88 | 65.9 Ų | 65.9 | 47% | 0.471 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.9 | 43.2 | -174 | -59.7 | -36.7 | 0 | 0 | 0 | 112.5 | K602 N614 R615 | N600-K602 VanDerWaalsContact C-N 3.28Å; N600-K602 PolarHBondContact O-N 3.11Å; N600-N614 PolarHBondContact ND2-ND2 3.46Å; N600-N614 WeakPolarHBondContact OD1-CA 3.43Å; N600-R615 PolarHBondContact N-O 3.32Å; N600-R615 PolarHBondContact OD1-N 3.15Å |
| 601 | G | 75.4 | Confident | 84.9 | Confident | 17 Ų | 17 | 68.8 Ų | 68.8 | 18% | 0.175 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.8 | -8.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | V599 L658 | V599-G601 PolarHBondContact O-N 3.01Å; G601-L658 VanDerWaalsContact CA-CD1 3.45Å |
| 602 | K | 82.3 | Confident | 84.4 | Confident | 164 Ų | 164 | 70.4 Ų | 70.4 | 71% | 0.713 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 131.2 | 175.6 | -63.8 | -178.2 | 179.9 | -179.7 | 0 | 110.2 | Y598 V599 N600 | Y598-K602 CarbonylContact C-O 3.57Å; Y598-K602 WeakPolarHBondContact CA-O 3.38Å; V599-K602 PolarHBondContact N-O 3.39Å; V599-K602 PolarHBondContact O-N 3.33Å; N600-K602 VanDerWaalsContact C-N 3.28Å; N600-K602 PolarHBondContact O-N 3.11Å |
| 603 | Q | 85.5 | Confident | 83.8 | Confident | 107 Ų | 107 | 66.8 Ų | 66.8 | 50% | 0.5 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 136.2 | 173.1 | -164.4 | 169.5 | -16.7 | 0 | 0 | 109.4 | T597 Y598 | T597-Q603 WeakPolarHBondContact O-CA 3.34Å; T597-Q603 WeakPolarHBondContact O-CG 3.44Å; Y598-Q603 VanDerWaalsContact CD1-CA 3.47Å; Y598-Q603 HydrophobicContact CD1-CB 3.63Å; Y598-Q603 HydrophobicContact CD1-CG 4.09Å; Y598-Q603 HydrophobicContact CE1-CB 3.54Å; Y598-Q603 HydrophobicContact CE1-CG 3.79Å |
| 604 | I | 88.5 | Confident | 84.2 | Confident | 16 Ų | 16 | 60.8 Ų | 60.8 | 8% | 0.082 | 33% | 0.328 | C | S | . | . | trans | -107.2 | 137.8 | 175.5 | 60.1 | 163.1 | 0 | 0 | 0 | 110 | L589 P591 T597 V599 V608 | L589-I604 HydrophobicContact CB-CD1 4.47Å; L589-I604 HydrophobicContact CD2-CD1 3.75Å; L589-I604 HydrophobicContact CG-CD1 3.79Å; P591-I604 HydrophobicContact CB-CD1 4.3Å; P591-I604 HydrophobicContact CB-CG1 4.17Å; P591-I604 HydrophobicContact CG-CB 4.44Å; P591-I604 HydrophobicContact CG-CD1 4.08Å; P591-I604 HydrophobicContact CG-CG1 3.98Å; P591-I604 WeakPolarHBondContact CG-O 3.28Å; T597-I604 HydrophobicContact CG2-CD1 3.92Å; T597-I604 HydrophobicContact CG2-CG1 3.95Å; T597-I604 PolarHBondContact O-N 2.86Å; V599-I604 HydrophobicContact CB-CG2 4.25Å; V599-I604 HydrophobicContact CG2-CD1 3.86Å; V599-I604 HydrophobicContact CG2-CG1 4.34Å; V599-I604 HydrophobicContact CG2-CG2 4.01Å; I604-V608 HydrophobicContact CB-CG2 4.21Å; I604-V608 HydrophobicContact CG2-CB 4.45Å; I604-V608 HydrophobicContact CG2-CG2 3.73Å | ||
| 605 | T | 81.1 | Confident | 84.6 | Confident | 116 Ų | 116 | 62.4 Ų | 62.4 | 71% | 0.712 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -123.9 | -5.2 | 177 | 52.8 | 0 | 0 | 0 | 0 | 112.7 | ||
| 606 | E | 83.8 | Confident | 84.8 | Confident | 151 Ų | 151 | 62.1 Ų | 62.1 | 71% | 0.706 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -135.4 | 169.7 | -178.5 | -63.3 | -178.3 | 171.8 | 0 | 0 | 108.2 | P591 | P591-E606 WeakPolarHBondContact CD-O 3.36Š|
| 607 | A | 87.3 | Confident | 84.8 | Confident | 55 Ų | 55 | 61.1 Ų | 61.1 | 46% | 0.455 | 31% | 0.312 | S | S | . | . | trans | -64.8 | 131.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | T588 L589 E590 | T588-A607 HydrophobicContact CG2-CB 3.83Å; L589-A607 WeakPolarHBondContact O-CA 3.38Å; E590-A607 HydrophobicContact CG-CB 3.89Å | ||
| 608 | V | 90.4 | Very high | 84.7 | Confident | 50 Ų | 50 | 61.2 Ų | 61.2 | 30% | 0.303 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 122.3 | -179.4 | 175.5 | 0 | 0 | 0 | 0 | 111.5 | L589 I604 L610 | L589-V608 PolarHBondContact N-O 3.49Å; L589-V608 PolarHBondContact O-N 3.16Å; I604-V608 HydrophobicContact CB-CG2 4.21Å; I604-V608 HydrophobicContact CG2-CB 4.45Å; I604-V608 HydrophobicContact CG2-CG2 3.73Å; V608-L610 PolarHBondContact O-N 3.15Å |
| 609 | V | 89.1 | Confident | 84.6 | Confident | 84 Ų | 84 | 58.4 Ų | 58.4 | 51% | 0.509 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 123.8 | 171.8 | -180 | 0 | 0 | 0 | 0 | 110.1 | V586 | V586-V609 HydrophobicContact CG1-CG1 3.63Å; V586-V609 HydrophobicContact CG1-CG2 4.43Å |
| 610 | L | 86.6 | Confident | 83.9 | Confident | 2 Ų | 2 | 63.1 Ų | 63.1 | 1% | 0.01 | 32% | 0.321 | C | S | . | . | trans | -84.9 | 147.4 | -178.7 | -62.7 | 176.3 | 0 | 0 | 0 | 111.9 | F575 V587 L589 V599 V608 I616 F626 | F575-L610 HydrophobicContact CD1-CD1 3.76Å; F575-L610 HydrophobicContact CE1-CD1 3.47Å; F575-L610 VanDerWaalsContact CE1-CD1 3.47Å; V587-L610 HydrophobicContact CG1-CD1 4.17Å; V587-L610 PolarHBondContact O-N 2.94Å; L589-L610 HydrophobicContact CB-CD1 4.01Å; L589-L610 HydrophobicContact CB-CD2 4.1Å; L589-L610 HydrophobicContact CB-CG 4.04Å; L589-L610 HydrophobicContact CD2-CD2 4.31Å; V599-L610 HydrophobicContact CG1-CD2 4.05Å; V599-L610 HydrophobicContact CG2-CD2 4.2Å; V608-L610 PolarHBondContact O-N 3.15Å; L610-I616 HydrophobicContact CD1-CD1 3.69Å; L610-I616 HydrophobicContact CD2-CD1 3.91Å; L610-I616 HydrophobicContact CD2-CG1 4.34Å; L610-I616 HydrophobicContact CG-CD1 4.47Å; L610-F626 HydrophobicContact CB-CD1 3.7Å; L610-F626 HydrophobicContact CB-CE1 3.68Å; L610-F626 HydrophobicContact CB-CG 4.2Å; L610-F626 HydrophobicContact CB-CZ 4.17Å; L610-F626 HydrophobicContact CD1-CB 4.5Å; L610-F626 HydrophobicContact CD1-CD1 4.38Å; L610-F626 HydrophobicContact CD1-CD2 3.99Å; L610-F626 HydrophobicContact CD1-CE2 4.28Å; L610-F626 HydrophobicContact CD1-CG 4.05Å | ||
| 611 | R | 84.8 | Confident | 83.3 | Confident | 147 Ų | 147 | 63.1 Ų | 63.1 | 56% | 0.555 | 32% | 0.321 | S | S | * | . | trans | -122.4 | 157.7 | 175 | -70.1 | 179.2 | 174.1 | -88.7 | -5.3 | 112 | G613 N614 F626 | R611-G613 PolarHBondContact O-N 3.41Å; R611-N614 PolarHBondContact N-OD1 2.89Å; R611-N614 VanDerWaalsContact O-CB 3.24Å; R611-N614 WeakPolarHBondContact O-CB 3.31Å; R611-N614 PolarHBondContact O-N 2.99Å; R611-N614 PolarHBondContact O-ND2 3.42Å; R611-N614 VanDerWaalsContact O-ND2 3.12Å; R611-F626 WeakPolarHBondContact O-CD1 2.84Å | ||
| 612 | Q | 80.7 | Confident | 83.4 | Confident | 54 Ų | 54 | 62.5 Ų | 62.5 | 25% | 0.252 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -44.5 | 127.1 | 178.5 | 170.8 | 57.1 | -20.4 | 0 | 0 | 112.5 | N614 N627 A632 | Q612-N614 VanDerWaalsContact C-N 3.32Å; Q612-N614 PolarHBondContact O-N 2.93Å; Q612-N627 PolarHBondContact NE2-OD1 3.27Å; Q612-N627 VanDerWaalsContact OE1-CA 3.24Å; Q612-N627 PolarHBondContact OE1-OD1 3.13Å; Q612-N627 VanDerWaalsContact OE1-OD1 3.06Å; Q612-A632 HydrophobicContact CG-CB 3.87Å |
| 613 | G | 74.8 | Confident | 83.3 | Confident | 12 Ų | 12 | 57 Ų | 57 | 12% | 0.124 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76 | 6.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | R611 R615 R625 F626 | R611-G613 PolarHBondContact O-N 3.41Å; G613-R615 PolarHBondContact O-N 3.28Å; G613-R625 VanDerWaalsContact CA-CZ 3.48Å; G613-F626 VanDerWaalsContact CA-O 3.22Å; G613-F626 WeakPolarHBondContact CA-O 3.33Å; G613-F626 PolarHBondContact N-O 3.44Å |
| 614 | N | 87.8 | Confident | 83.4 | Confident | 22 Ų | 22 | 51.9 Ų | 51.9 | 12% | 0.118 | 27% | 0.27 | C | S | . | . | trans | -58 | 130.6 | 175.6 | -77.3 | -170.7 | 0 | 0 | 0 | 111.6 | V599 N600 R611 Q612 F626 | V599-N614 HydrophobicContact CG1-CB 4.2Å; N600-N614 PolarHBondContact ND2-ND2 3.46Å; N600-N614 WeakPolarHBondContact OD1-CA 3.43Å; R611-N614 PolarHBondContact N-OD1 2.89Å; R611-N614 VanDerWaalsContact O-CB 3.24Å; R611-N614 WeakPolarHBondContact O-CB 3.31Å; R611-N614 PolarHBondContact O-N 2.99Å; R611-N614 PolarHBondContact O-ND2 3.42Å; R611-N614 VanDerWaalsContact O-ND2 3.12Å; Q612-N614 VanDerWaalsContact C-N 3.32Å; Q612-N614 PolarHBondContact O-N 2.93Å; N614-F626 HydrophobicContact CB-CB 4.49Å; N614-F626 PolarHBondContact O-N 2.68Å | ||
| 615 | R | 82.7 | Confident | 83.1 | Confident | 93 Ų | 93 | 56.2 Ų | 56.2 | 35% | 0.351 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 121.6 | 176.5 | -53.7 | -173.9 | -167.3 | -154.1 | 3.9 | 108.7 | V599 N600 G613 F624 | V599-R615 CarbonylContact C-O 3.54Å; V599-R615 WeakPolarHBondContact CA-O 3.45Å; N600-R615 PolarHBondContact N-O 3.32Å; N600-R615 PolarHBondContact OD1-N 3.15Å; G613-R615 PolarHBondContact O-N 3.28Å; R615-F624 CarbonylContact C-O 3.59Å; R615-F624 WeakPolarHBondContact CA-O 3.11Å |
| 616 | I | 88.9 | Confident | 83.3 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 130.1 | -176.6 | -56.4 | 170.7 | 0 | 0 | 0 | 108.6 | L530 F575 L589 Y598 V599 L610 M618 F624 F626 | L530-I616 HydrophobicContact CD2-CD1 3.87Å; F575-I616 HydrophobicContact CE1-CD1 3.81Å; F575-I616 HydrophobicContact CZ-CD1 3.98Å; L589-I616 HydrophobicContact CD2-CD1 4.21Å; L589-I616 HydrophobicContact CD2-CG1 4.5Å; L589-I616 HydrophobicContact CD2-CG2 3.83Å; Y598-I616 CarbonylContact O-C 3.58Å; Y598-I616 WeakPolarHBondContact O-CA 3.41Å; V599-I616 HydrophobicContact CG2-CG1 4.45Å; L610-I616 HydrophobicContact CD1-CD1 3.69Å; L610-I616 HydrophobicContact CD2-CD1 3.91Å; L610-I616 HydrophobicContact CD2-CG1 4.34Å; L610-I616 HydrophobicContact CG-CD1 4.47Å; I616-M618 HydrophobicContact CG2-CE 3.77Å; I616-M618 HydrophobicContact CG2-CG 4.35Å; I616-F624 PolarHBondContact N-O 3.05Å; I616-F624 PolarHBondContact O-N 3.48Å; I616-F626 HydrophobicContact CD1-CB 3.9Å |
| 617 | V | 85.4 | Confident | 83.2 | Confident | 35 Ų | 35 | 44.8 Ų | 44.8 | 21% | 0.212 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 133.2 | 175.9 | -172.4 | 0 | 0 | 0 | 0 | 109.5 | T597 Y598 H622 V623 | T597-V617 WeakPolarHBondContact CA-O 3.29Å; Y598-V617 HydrophobicContact CD2-CB 4.12Å; Y598-V617 HydrophobicContact CD2-CG1 4.37Å; Y598-V617 PolarHBondContact N-O 3.27Å; Y598-V617 PolarHBondContact O-N 3.24Å; V617-H622 CarbonylContact C-O 3.53Å; V617-H622 VanDerWaalsContact CA-O 3.29Å; V617-H622 WeakPolarHBondContact CA-O 3.45Å; V617-V623 HydrophobicContact CG1-CG2 4.33Å; V617-V623 HydrophobicContact CG2-CG1 4.36Å; V617-V623 HydrophobicContact CG2-CG2 4.28Å |
| 618 | M | 86.9 | Confident | 82.9 | Confident | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 124.4 | 179.7 | -58.9 | 176.9 | -161.9 | 0 | 0 | 109.8 | L530 V554 L563 I568 F575 I616 K620 H622 F624 | L530-M618 HydrophobicContact CD1-CE 4.26Å; V554-M618 HydrophobicContact CB-SD 4.49Å; V554-M618 HydrophobicContact CG1-SD 3.79Å; L563-M618 HydrophobicContact CD1-CB 4.46Å; L563-M618 HydrophobicContact CD1-SD 3.68Å; I568-M618 HydrophobicContact CD1-CB 3.84Å; F575-M618 HydrophobicContact CE2-CE 3.66Å; F575-M618 HydrophobicContact CZ-CE 3.64Å; I616-M618 HydrophobicContact CG2-CE 3.77Å; I616-M618 HydrophobicContact CG2-CG 4.35Å; M618-K620 PolarHBondContact O-N 3.3Å; M618-H622 HydrophobicContact CB-CB 4.2Å; M618-H622 PolarHBondContact N-O 2.91Å; M618-H622 WeakPolarHBondContact O-CB 3.43Å; M618-H622 PolarHBondContact O-N 3.32Å; M618-F624 HydrophobicContact CE-CD2 3.86Å; M618-F624 HydrophobicContact CE-CE2 4.08Å; M618-F624 HydrophobicContact CG-CE2 4.47Å; M618-F624 HydrophobicContact SD-CD2 4.22Å; M618-F624 HydrophobicContact SD-CE2 3.89Å |
| 619 | G | 84.6 | Confident | 81.9 | Confident | 2 Ų | 2 | 40.9 Ų | 40.9 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | -124.3 | -165.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | H572 E596 | H572-G619 PolarHBondContact CE1-N 3.36Å; H572-G619 PolarHBondContact NE2-N 2.85Å; E596-G619 PolarHBondContact O-N 3.14Å |
| 620 | K | 73.8 | Confident | 80.8 | Confident | 110 Ų | 110 | 39.9 Ų | 39.9 | 48% | 0.478 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -123.4 | -15.1 | -173.5 | -56 | -174 | -172.4 | -180 | 0 | 114.9 | F567 E596 M618 | F567-K620 HydrophobicContact CB-CG 4.15Å; F567-K620 HydrophobicContact CD1-CD 3.98Å; F567-K620 HydrophobicContact CD1-CG 4.49Å; F567-K620 HydrophobicContact CD2-CB 4.16Å; F567-K620 HydrophobicContact CD2-CD 3.78Å; F567-K620 HydrophobicContact CD2-CG 3.98Å; F567-K620 HydrophobicContact CE1-CD 4.15Å; F567-K620 HydrophobicContact CE2-CD 3.95Å; F567-K620 HydrophobicContact CG-CD 3.8Å; F567-K620 HydrophobicContact CG-CG 3.93Å; F567-K620 HydrophobicContact CZ-CD 4.14Å; E596-K620 WeakPolarHBondContact OE1-CE 3.39Å; E596-K620 IonicContact OE1-NZ 2.76Å; E596-K620 PolarHBondContact OE1-NZ 3.41Å; E596-K620 VanDerWaalsContact OE1-NZ 3.17Å; E596-K620 WeakPolarHBondContact OE2-CE 3.47Å; E596-K620 IonicContact OE2-NZ 2.74Å; M618-K620 PolarHBondContact O-N 3.3Å |
| 621 | N | 69.6 | Low | 80.1 | Confident | 88 Ų | 88 | 42.1 Ų | 42.1 | 47% | 0.471 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -125.3 | -14.2 | -168.7 | -62 | 26.3 | 0 | 0 | 0 | 113.6 | M539 | M539-N621 HydrophobicContact CE-CB 4.06Š|
| 622 | H | 76.9 | Confident | 78.8 | Confident | 4 Ų | 4 | 35.6 Ų | 35.6 | 2% | 0.019 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 113.1 | -176.4 | -70.7 | -73.6 | 0 | 0 | 0 | 110 | E541 L563 S564 V617 M618 F624 | E541-H622 IonicContact OE2-CE1 2.69Å; E541-H622 PolarHBondContact OE2-CE1 2.92Å; E541-H622 IonicContact OE2-ND1 3.02Å; E541-H622 IonicContact OE2-NE2 2.66Å; L563-H622 HydrophobicContact CD1-CB 4.26Å; S564-H622 PolarHBondContact O-NE2 3.26Å; V617-H622 CarbonylContact C-O 3.53Å; V617-H622 VanDerWaalsContact CA-O 3.29Å; V617-H622 WeakPolarHBondContact CA-O 3.45Å; M618-H622 HydrophobicContact CB-CB 4.2Å; M618-H622 PolarHBondContact N-O 2.91Å; M618-H622 WeakPolarHBondContact O-CB 3.43Å; M618-H622 PolarHBondContact O-N 3.32Å; H622-F624 HydrophobicContact CB-CE2 3.76Å; H622-F624 HydrophobicContact CB-CZ 4.08Å |
| 623 | V | 81.1 | Confident | 77.9 | Confident | 47 Ų | 47 | 38.1 Ų | 38.1 | 29% | 0.285 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 122.3 | -175.6 | -174.5 | 0 | 0 | 0 | 0 | 109.1 | N532 L533 V617 | N532-V623 PolarHBondContact OD1-O 2.86Å; L533-V623 HydrophobicContact CB-CB 4.47Å; L533-V623 HydrophobicContact CB-CG1 4.15Å; L533-V623 HydrophobicContact CD1-CG1 4.26Å; L533-V623 PolarHBondContact N-O 3.5Å; V617-V623 HydrophobicContact CG1-CG2 4.33Å; V617-V623 HydrophobicContact CG2-CG1 4.36Å; V617-V623 HydrophobicContact CG2-CG2 4.28Å |
| 624 | F | 85.7 | Confident | 77.4 | Confident | 1 Ų | 1 | 40.7 Ų | 40.7 | 0% | 0.004 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 155.8 | -177.2 | -56.8 | -73.9 | 0 | 0 | 0 | 111.8 | L530 V531 N532 Y545 L563 R615 I616 M618 H622 | L530-F624 HydrophobicContact CB-CB 4.24Å; L530-F624 HydrophobicContact CB-CD1 4.37Å; L530-F624 HydrophobicContact CB-CG 4.43Å; L530-F624 HydrophobicContact CD2-CB 4.39Å; V531-F624 CarbonylContact O-C 3.58Å; V531-F624 WeakPolarHBondContact O-CA 3.49Å; N532-F624 HydrophobicContact CB-CD1 4.13Å; N532-F624 HydrophobicContact CB-CE1 4.04Å; Y545-F624 HydrophobicContact CD2-CE1 4.15Å; Y545-F624 AromaticContact CE2-CE1 3.82Å; Y545-F624 HydrophobicContact CE2-CE1 3.82Å; Y545-F624 HydrophobicContact CE2-CZ 4.3Å; L563-F624 HydrophobicContact CD1-CE2 3.78Å; L563-F624 HydrophobicContact CD1-CZ 3.9Å; L563-F624 HydrophobicContact CD2-CZ 3.85Å; R615-F624 CarbonylContact C-O 3.59Å; R615-F624 WeakPolarHBondContact CA-O 3.11Å; I616-F624 PolarHBondContact N-O 3.05Å; I616-F624 PolarHBondContact O-N 3.48Å; M618-F624 HydrophobicContact CE-CD2 3.86Å; M618-F624 HydrophobicContact CE-CE2 4.08Å; M618-F624 HydrophobicContact CG-CE2 4.47Å; M618-F624 HydrophobicContact SD-CD2 4.22Å; M618-F624 HydrophobicContact SD-CE2 3.89Å; H622-F624 HydrophobicContact CB-CE2 3.76Å; H622-F624 HydrophobicContact CB-CZ 4.08Å |
| 625 | R | 82.8 | Confident | 76.2 | Confident | 107 Ų | 107 | 44 Ų | 44 | 40% | 0.404 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 118.5 | 164.4 | -159.1 | 176.5 | -166.4 | -91.4 | 2.2 | 108.8 | L530 V531 L533 G613 | L530-R625 CarbonylContact C-O 3.43Å; L530-R625 WeakPolarHBondContact CA-O 3.42Å; V531-R625 HydrophobicContact CB-CB 4.49Å; V531-R625 PolarHBondContact N-O 3.24Å; V531-R625 PolarHBondContact O-N 3.23Å; L533-R625 HydrophobicContact CD1-CB 4.02Å; L533-R625 HydrophobicContact CD2-CB 4.19Å; L533-R625 HydrophobicContact CG-CB 4.17Å; G613-R625 VanDerWaalsContact CA-CZ 3.48Å |
| 626 | F | 86.4 | Confident | 74.9 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 134.3 | 168.5 | 176.4 | -106.6 | 0 | 0 | 0 | 109.7 | P528 L530 I547 V587 L610 R611 G613 N614 I616 H628 | P528-F626 HydrophobicContact CB-CE2 3.78Å; P528-F626 HydrophobicContact CB-CZ 3.93Å; L530-F626 HydrophobicContact CD2-CB 4.07Å; L530-F626 HydrophobicContact CD2-CD2 4.11Å; I547-F626 HydrophobicContact CD1-CD2 3.8Å; I547-F626 HydrophobicContact CD1-CE2 3.7Å; V587-F626 HydrophobicContact CB-CE2 4.01Å; V587-F626 HydrophobicContact CB-CZ 3.72Å; V587-F626 HydrophobicContact CG1-CE2 4.01Å; V587-F626 HydrophobicContact CG1-CZ 4.22Å; V587-F626 HydrophobicContact CG2-CE2 4.02Å; V587-F626 HydrophobicContact CG2-CZ 3.76Å; L610-F626 HydrophobicContact CB-CD1 3.7Å; L610-F626 HydrophobicContact CB-CE1 3.68Å; L610-F626 HydrophobicContact CB-CG 4.2Å; L610-F626 HydrophobicContact CB-CZ 4.17Å; L610-F626 HydrophobicContact CD1-CB 4.5Å; L610-F626 HydrophobicContact CD1-CD1 4.38Å; L610-F626 HydrophobicContact CD1-CD2 3.99Å; L610-F626 HydrophobicContact CD1-CE2 4.28Å; L610-F626 HydrophobicContact CD1-CG 4.05Å; R611-F626 WeakPolarHBondContact O-CD1 2.84Å; G613-F626 VanDerWaalsContact CA-O 3.22Å; G613-F626 WeakPolarHBondContact CA-O 3.33Å; G613-F626 PolarHBondContact N-O 3.44Å; N614-F626 HydrophobicContact CB-CB 4.49Å; N614-F626 PolarHBondContact O-N 2.68Å; I616-F626 HydrophobicContact CD1-CB 3.9Å; F626-H628 HydrophobicContact CE1-CB 3.86Å; F626-H628 HydrophobicContact CZ-CB 4.09Å |
| 627 | N | 80.4 | Confident | 73.1 | Confident | 26 Ų | 26 | 53.2 Ų | 53.2 | 14% | 0.139 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 122.4 | -178.7 | -169.2 | 21.2 | 0 | 0 | 0 | 109.2 | S523 P528 H529 Q612 | S523-N627 PolarHBondContact OG-ND2 2.98Å; S523-N627 VanDerWaalsContact OG-ND2 3.08Å; P528-N627 WeakPolarHBondContact CA-O 3.47Å; H529-N627 PolarHBondContact CE1-ND2 3.16Å; H529-N627 PolarHBondContact N-O 3.15Å; H529-N627 PolarHBondContact NE2-ND2 2.96Å; H529-N627 PolarHBondContact O-N 2.91Å; Q612-N627 PolarHBondContact NE2-OD1 3.27Å; Q612-N627 VanDerWaalsContact OE1-CA 3.24Å; Q612-N627 PolarHBondContact OE1-OD1 3.13Å; Q612-N627 VanDerWaalsContact OE1-OD1 3.06Å |
| 628 | H | 82.6 | Confident | 71.7 | Confident | 7 Ų | 7 | 62.6 Ų | 62.6 | 3% | 0.032 | 28% | 0.276 | C | S | . | . | trans | -120 | 99.1 | 179 | -166.9 | -30.7 | 0 | 0 | 0 | 109.6 | F626 E630 Q631 A632 | F626-H628 HydrophobicContact CE1-CB 3.86Å; F626-H628 HydrophobicContact CZ-CB 4.09Å; H628-E630 VanDerWaalsContact CE1-CA 3.49Å; H628-E630 WeakPolarHBondContact CE1-CA 3.01Å; H628-E630 PolarHBondContact CE1-N 2.83Å; H628-E630 WeakPolarHBondContact NE2-CB 3.33Å; H628-E630 PolarHBondContact O-N 3.4Å; H628-Q631 HydrophobicContact CB-CB 4.05Å; H628-Q631 PolarHBondContact CE1-N 3.17Å; H628-Q631 PolarHBondContact ND1-N 2.93Å; H628-A632 VanDerWaalsContact O-CB 3.3Å; H628-A632 WeakPolarHBondContact O-CB 3.46Å; H628-A632 PolarHBondContact O-N 3.38Å | ||
| 629 | P | 67.6 | Low | 69.8 | Low | 16 Ų | 16 | 66.1 Ų | 66.1 | 10% | 0.104 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -42.4 | -171.4 | -26.3 | 35.6 | 0 | 0 | 0 | 114.3 | P524 K525 T527 A632 R633 | P524-P629 WeakPolarHBondContact O-CB 3.22Å; P524-P629 WeakPolarHBondContact O-CG 3.37Å; K525-P629 WeakPolarHBondContact O-CB 3.44Å; T527-P629 WeakPolarHBondContact O-CD 3.27Å; P629-A632 CarbonylContact O-C 3.53Å; P629-A632 PolarHBondContact O-N 2.8Å; P629-R633 PolarHBondContact O-N 2.88Å |
| 630 | E | 67.7 | Low | 67.8 | Low | 64 Ų | 64 | 71.5 Ų | 71.5 | 30% | 0.299 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -44.1 | -178.1 | -63.9 | -138.9 | 101.9 | 0 | 0 | 113.5 | H628 A632 R633 L634 | H628-E630 VanDerWaalsContact CE1-CA 3.49Å; H628-E630 WeakPolarHBondContact CE1-CA 3.01Å; H628-E630 PolarHBondContact CE1-N 2.83Å; H628-E630 WeakPolarHBondContact NE2-CB 3.33Å; H628-E630 PolarHBondContact O-N 3.4Å; E630-A632 PolarHBondContact O-N 3.17Å; E630-R633 CarbonylContact O-C 3.57Å; E630-R633 WeakPolarHBondContact O-CA 3.45Å; E630-R633 WeakPolarHBondContact O-CB 3.43Å; E630-R633 PolarHBondContact O-N 3.4Å; E630-R633 IonicContact OE1-CZ 3.16Å; E630-R633 IonicContact OE1-NH1 3.53Å; E630-R633 PolarHBondContact OE1-NH1 2.81Å; E630-R633 IonicContact OE1-NH2 2.68Å; E630-L634 VanDerWaalsContact O-CD1 3.31Å; E630-L634 WeakPolarHBondContact O-CD1 3.38Å; E630-L634 PolarHBondContact O-N 3.32Å |
| 631 | Q | 70.4 | Confident | 66.2 | Low | 48 Ų | 48 | 73.3 Ų | 73.3 | 22% | 0.224 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -55.4 | -43.3 | 170.5 | -176.8 | 171.2 | 87.5 | 0 | 0 | 110.5 | H628 R633 L634 E635 | H628-Q631 HydrophobicContact CB-CB 4.05Å; H628-Q631 PolarHBondContact CE1-N 3.17Å; H628-Q631 PolarHBondContact ND1-N 2.93Å; Q631-R633 PolarHBondContact O-N 3.31Å; Q631-L634 PolarHBondContact O-N 3.11Å; Q631-E635 WeakPolarHBondContact O-CB 3.41Å; Q631-E635 WeakPolarHBondContact O-CG 3.25Å; Q631-E635 PolarHBondContact O-N 2.82Å |
| 632 | A | 58.8 | Low | 64.6 | Low | 10 Ų | 10 | 73.7 Ų | 73.7 | 8% | 0.083 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -67.6 | -12.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q612 H628 P629 E630 R636 | Q612-A632 HydrophobicContact CG-CB 3.87Å; H628-A632 VanDerWaalsContact O-CB 3.3Å; H628-A632 WeakPolarHBondContact O-CB 3.46Å; H628-A632 PolarHBondContact O-N 3.38Å; P629-A632 CarbonylContact O-C 3.53Å; P629-A632 PolarHBondContact O-N 2.8Å; E630-A632 PolarHBondContact O-N 3.17Å; A632-R636 VanDerWaalsContact O-CZ 3.24Å; A632-R636 PolarHBondContact O-NE 2.91Å; A632-R636 PolarHBondContact O-NH2 3.49Å |
| 633 | R | 61.7 | Low | 62.8 | Low | 108 Ų | 108 | 83 Ų | 83 | 41% | 0.408 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -90.2 | -51.1 | 172.3 | -161.1 | -172.4 | 77.1 | -122.4 | -3.6 | 110.3 | P629 E630 Q631 E635 R636 E637 | P629-R633 PolarHBondContact O-N 2.88Å; E630-R633 CarbonylContact O-C 3.57Å; E630-R633 WeakPolarHBondContact O-CA 3.45Å; E630-R633 WeakPolarHBondContact O-CB 3.43Å; E630-R633 PolarHBondContact O-N 3.4Å; E630-R633 IonicContact OE1-CZ 3.16Å; E630-R633 IonicContact OE1-NH1 3.53Å; E630-R633 PolarHBondContact OE1-NH1 2.81Å; E630-R633 IonicContact OE1-NH2 2.68Å; Q631-R633 PolarHBondContact O-N 3.31Å; R633-E635 VanDerWaalsContact C-N 3.29Å; R633-E635 PolarHBondContact O-N 2.8Å; R633-R636 PolarHBondContact O-N 3.19Å; R633-E637 WeakPolarHBondContact CD-OE1 3.2Å; R633-E637 VanDerWaalsContact CG-OE1 3.31Å; R633-E637 WeakPolarHBondContact CG-OE1 3.28Å; R633-E637 IonicContact NE-OE1 3.38Å; R633-E637 PolarHBondContact NE-OE1 3.42Å; R633-E637 IonicContact NE-OE2 3.48Å; R633-E637 WeakPolarHBondContact O-CG 3.37Å; R633-E637 PolarHBondContact O-N 2.67Å |
| 634 | L | 63.7 | Low | 60.5 | Low | 65 Ų | 65 | 90 Ų | 90 | 34% | 0.34 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -58.6 | -39.3 | 176.4 | -86.2 | 75.6 | 0 | 0 | 0 | 111.8 | E584 E630 Q631 R636 E637 R638 | E584-L634 WeakPolarHBondContact OE1-CD2 3.48Å; E630-L634 VanDerWaalsContact O-CD1 3.31Å; E630-L634 WeakPolarHBondContact O-CD1 3.38Å; E630-L634 PolarHBondContact O-N 3.32Å; Q631-L634 PolarHBondContact O-N 3.11Å; L634-R636 PolarHBondContact O-N 3.29Å; L634-E637 PolarHBondContact O-N 3.49Å; L634-R638 WeakPolarHBondContact O-CB 3.29Å; L634-R638 PolarHBondContact O-N 2.91Å |
| 635 | E | 61.7 | Low | 58.1 | Low | 92 Ų | 92 | 99.7 Ų | 99.7 | 43% | 0.43 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63 | -39.6 | 175 | -74.9 | 178.2 | 164.4 | 0 | 0 | 112 | Q631 R633 R638 S639 | Q631-E635 WeakPolarHBondContact O-CB 3.41Å; Q631-E635 WeakPolarHBondContact O-CG 3.25Å; Q631-E635 PolarHBondContact O-N 2.82Å; R633-E635 VanDerWaalsContact C-N 3.29Å; R633-E635 PolarHBondContact O-N 2.8Å; E635-R638 PolarHBondContact O-N 2.98Å; E635-S639 WeakPolarHBondContact O-CB 3.45Å; E635-S639 PolarHBondContact O-N 3.2Å; E635-S639 PolarHBondContact O-OG 3.32Å |
| 636 | R | 55.7 | Low | 55.9 | Low | 168 Ų | 168 | 97.9 Ų | 97.9 | 63% | 0.634 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -71.5 | -37.5 | 175.7 | -93.6 | 177 | -70.7 | 175 | -0.6 | 113.5 | A632 R633 L634 R638 S639 | A632-R636 VanDerWaalsContact O-CZ 3.24Å; A632-R636 PolarHBondContact O-NE 2.91Å; A632-R636 PolarHBondContact O-NH2 3.49Å; R633-R636 PolarHBondContact O-N 3.19Å; L634-R636 PolarHBondContact O-N 3.29Å; R636-R638 VanDerWaalsContact C-N 3.26Å; R636-S639 PolarHBondContact O-N 2.76Å |
| 637 | E | 51.8 | Low | 53.4 | Low | 118 Ų | 118 | 106.2 Ų | 106.2 | 55% | 0.551 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -67.7 | -30 | 174.2 | -71.5 | 167.5 | -173.6 | 0 | 0 | 111 | R633 L634 | R633-E637 WeakPolarHBondContact CD-OE1 3.2Å; R633-E637 VanDerWaalsContact CG-OE1 3.31Å; R633-E637 WeakPolarHBondContact CG-OE1 3.28Å; R633-E637 IonicContact NE-OE1 3.38Å; R633-E637 PolarHBondContact NE-OE1 3.42Å; R633-E637 IonicContact NE-OE2 3.48Å; R633-E637 WeakPolarHBondContact O-CG 3.37Å; R633-E637 PolarHBondContact O-N 2.67Å; L634-E637 PolarHBondContact O-N 3.49Å |
| 638 | R | 55.9 | Low | 51.8 | Low | 232 Ų | 232 | 111.1 Ų | 111.1 | 88% | 0.875 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -83.3 | -23.6 | 175.4 | -169.1 | 175.2 | -176.3 | 175.5 | 2.6 | 113.9 | L634 E635 R636 V640 | L634-R638 WeakPolarHBondContact O-CB 3.29Å; L634-R638 PolarHBondContact O-N 2.91Å; E635-R638 PolarHBondContact O-N 2.98Å; R636-R638 VanDerWaalsContact C-N 3.26Å; R638-V640 PolarHBondContact O-N 3.45Å |
| 639 | S | 46.8 | Very low | 50.1 | Low | 76 Ų | 76 | 116.8 Ų | 116.8 | 53% | 0.531 | 60% | 0.601 | S | S | . | * | trans | -97.2 | 38.3 | -173 | 76.7 | 0 | 0 | 0 | 0 | 115 | E635 R636 T641 | E635-S639 WeakPolarHBondContact O-CB 3.45Å; E635-S639 PolarHBondContact O-N 3.2Å; E635-S639 PolarHBondContact O-OG 3.32Å; R636-S639 PolarHBondContact O-N 2.76Å; S639-T641 PolarHBondContact O-N 2.79Å | ||
| 640 | V | 41.9 | Very low | 49.2 | Very low | 115 Ų | 115 | 121.5 Ų | 121.5 | 70% | 0.697 | 63% | 0.626 | S | S | * | * | trans | -84.6 | 58.5 | 177.6 | -167.7 | 0 | 0 | 0 | 0 | 111.4 | R638 | R638-V640 PolarHBondContact O-N 3.45Š| ||
| 641 | T | 41.2 | Very low | 47.9 | Very low | 148 Ų | 148 | 126.6 Ų | 126.6 | 91% | 0.908 | 64% | 0.642 | S | S | * | * | S | Bend | trans | 177.6 | 74.4 | 155.7 | 20 | 0 | 0 | 0 | 0 | 112.4 | S639 | S639-T641 PolarHBondContact O-N 2.79Š|
| 642 | A | 36.4 | Very low | 46.9 | Very low | 95 Ų | 95 | 129.3 Ų | 129.3 | 79% | 0.785 | 66% | 0.658 | S | S | * | * | trans | -163.5 | 111.7 | 155.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 643 | E | 37.7 | Very low | 46.5 | Very low | 199 Ų | 199 | 135.3 Ų | 135.3 | 93% | 0.93 | 68% | 0.679 | S | S | * | * | trans | -87 | 119 | 160.7 | -69.8 | -173.4 | 138 | 0 | 0 | 108.5 | ||||
| 644 | Q | 33 | Very low | 45.7 | Very low | 194 Ų | 194 | 131.6 Ų | 131.6 | 91% | 0.907 | 67% | 0.672 | S | S | * | * | trans | -147.1 | 134.7 | 160.4 | -114 | 169.5 | 10.8 | 0 | 0 | 109.7 | ||||
| 645 | Q | 36.9 | Very low | 44.9 | Very low | 206 Ų | 206 | 133.2 Ų | 133.2 | 96% | 0.963 | 68% | 0.678 | S | S | * | * | trans | -87.9 | 134.1 | -176.8 | -66.3 | 168.5 | -14.1 | 0 | 0 | 109.5 | ||||
| 646 | G | 34.9 | Very low | 44.3 | Very low | 69 Ų | 69 | 135.2 Ų | 135.2 | 71% | 0.711 | 69% | 0.685 | S | S | * | * | trans | -132.9 | 137.5 | 166.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 647 | E | 34.9 | Very low | 44.4 | Very low | 174 Ų | 174 | 130.8 Ų | 130.8 | 81% | 0.813 | 67% | 0.672 | S | S | * | * | trans | -71 | 162.6 | 175 | -73.6 | -164.3 | 134.7 | 0 | 0 | 111.3 | E649 | E647-E649 PolarHBondContact O-N 3.08Š| ||
| 648 | P | 46.8 | Very low | 44.3 | Very low | 129 Ų | 129 | 128.2 Ų | 128.2 | 84% | 0.838 | 66% | 0.662 | S | S | * | * | trans | -68.2 | 90.1 | 173.2 | 28.1 | -35.1 | 0 | 0 | 0 | 111.2 | D650 | P648-D650 PolarHBondContact O-N 2.88Š| ||
| 649 | E | 45.7 | Very low | 43.9 | Very low | 127 Ų | 127 | 120 Ų | 120 | 59% | 0.593 | 64% | 0.635 | S | S | * | * | trans | -65.8 | 115.1 | -175.3 | -71.2 | 177.5 | 172.2 | 0 | 0 | 113.7 | E647 | E647-E649 PolarHBondContact O-N 3.08Š| ||
| 650 | D | 50.2 | Low | 43.8 | Very low | 115 Ų | 115 | 122.7 Ų | 122.7 | 62% | 0.615 | 64% | 0.639 | S | S | * | * | trans | -87 | 169.8 | -163.9 | -166.9 | 19.1 | 0 | 0 | 0 | 114.6 | P648 N652 Y653 | P648-D650 PolarHBondContact O-N 2.88Å; D650-N652 VanDerWaalsContact C-N 3.27Å; D650-N652 PolarHBondContact O-N 2.77Å; D650-N652 VanDerWaalsContact O-N 3.12Å; D650-Y653 PolarHBondContact O-N 2.85Å | ||
| 651 | W | 39.4 | Very low | 44.3 | Very low | 171 Ų | 171 | 124.7 Ų | 124.7 | 65% | 0.648 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -40.9 | -46.4 | -179.5 | 172.3 | 81.7 | 0 | 0 | 0 | 114.5 | Y653 Q655 | W651-Y653 VanDerWaalsContact C-N 3.29Å; W651-Y653 PolarHBondContact O-N 3.27Å; W651-Q655 PolarHBondContact O-N 2.77Å |
| 652 | N | 48.8 | Very low | 44.2 | Very low | 105 Ų | 105 | 122.8 Ų | 122.8 | 56% | 0.561 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -57 | -36.6 | -179.2 | -85.8 | -49.6 | 0 | 0 | 0 | 113.8 | D650 K656 | D650-N652 VanDerWaalsContact C-N 3.27Å; D650-N652 PolarHBondContact O-N 2.77Å; D650-N652 VanDerWaalsContact O-N 3.12Å; N652-K656 WeakPolarHBondContact O-CB 3.31Å; N652-K656 PolarHBondContact O-N 3.11Å; N652-K656 VanDerWaalsContact O-N 3.07Å |
| 653 | Y | 51.1 | Low | 44.6 | Very low | 135 Ų | 135 | 122 Ų | 122 | 53% | 0.529 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -69.3 | -47.6 | -173.1 | -173 | -96.3 | 0 | 0 | 0 | 111.5 | D650 W651 Q655 K656 E657 | D650-Y653 PolarHBondContact O-N 2.85Å; W651-Y653 VanDerWaalsContact C-N 3.29Å; W651-Y653 PolarHBondContact O-N 3.27Å; Y653-Q655 VanDerWaalsContact C-N 3.27Å; Y653-Q655 PolarHBondContact O-N 3.45Å; Y653-K656 PolarHBondContact O-N 2.69Å; Y653-K656 VanDerWaalsContact O-N 3.12Å; Y653-E657 PolarHBondContact O-N 3.4Å |
| 654 | A | 45.5 | Very low | 44.9 | Very low | 31 Ų | 31 | 116.5 Ų | 116.5 | 26% | 0.256 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -65.7 | -28.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113 | L658 | A654-L658 WeakPolarHBondContact O-CB 3.47Å |
| 655 | Q | 47.5 | Very low | 45.4 | Very low | 98 Ų | 98 | 111.8 Ų | 111.8 | 46% | 0.458 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -74.2 | -40.9 | 171.9 | -172.2 | 169.9 | -4 | 0 | 0 | 111.5 | W651 Y653 L659 | W651-Q655 PolarHBondContact O-N 2.77Å; Y653-Q655 VanDerWaalsContact C-N 3.27Å; Y653-Q655 PolarHBondContact O-N 3.45Å; Q655-L659 HydrophobicContact CG-CD1 4.11Å; Q655-L659 WeakPolarHBondContact O-CD1 3.37Å; Q655-L659 PolarHBondContact O-N 2.81Å |
| 656 | K | 48.7 | Very low | 45.9 | Very low | 134 Ų | 134 | 106.2 Ų | 106.2 | 58% | 0.583 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -64.4 | -50 | -179.7 | -165.1 | 179.9 | 180 | -170.8 | 0 | 112.1 | N652 Y653 L658 L659 E660 | N652-K656 WeakPolarHBondContact O-CB 3.31Å; N652-K656 PolarHBondContact O-N 3.11Å; N652-K656 VanDerWaalsContact O-N 3.07Å; Y653-K656 PolarHBondContact O-N 2.69Å; Y653-K656 VanDerWaalsContact O-N 3.12Å; K656-L658 VanDerWaalsContact C-N 3.27Å; K656-L658 PolarHBondContact O-N 3.11Å; K656-L659 PolarHBondContact O-N 2.96Å; K656-E660 VanDerWaalsContact O-CB 3.29Å; K656-E660 WeakPolarHBondContact O-CB 3.45Å; K656-E660 PolarHBondContact O-N 2.89Å |
| 657 | E | 56.3 | Low | 46.4 | Very low | 75 Ų | 75 | 110.8 Ų | 110.8 | 35% | 0.35 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -58.3 | -38.3 | 179.9 | -171.3 | -169.8 | 179.4 | 0 | 0 | 112.5 | Y653 K661 | Y653-E657 PolarHBondContact O-N 3.4Å; E657-K661 HydrophobicContact CG-CD 3.92Å; E657-K661 WeakPolarHBondContact O-CB 3.26Å; E657-K661 WeakPolarHBondContact O-CG 3.39Å; E657-K661 PolarHBondContact O-N 2.92Å; E657-K661 VanDerWaalsContact O-N 3.08Å; E657-K661 IonicContact OE1-NZ 3.71Å; E657-K661 PolarHBondContact OE1-NZ 2.88Å |
| 658 | L | 50.5 | Low | 47 | Very low | 65 Ų | 65 | 107.9 Ų | 107.9 | 34% | 0.34 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.2 | -42.5 | -176.1 | -168.7 | 163.9 | 0 | 0 | 0 | 112.1 | G601 A654 K656 Q662 | G601-L658 VanDerWaalsContact CA-CD1 3.45Å; A654-L658 WeakPolarHBondContact O-CB 3.47Å; K656-L658 VanDerWaalsContact C-N 3.27Å; K656-L658 PolarHBondContact O-N 3.11Å; L658-Q662 WeakPolarHBondContact O-CG 3.44Å |
| 659 | L | 48.2 | Very low | 47.1 | Very low | 60 Ų | 60 | 104.3 Ų | 104.3 | 31% | 0.314 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -79.3 | -38.8 | 178.7 | -75.6 | 84.6 | 0 | 0 | 0 | 111.7 | Q655 K656 K661 Q662 I666 | Q655-L659 HydrophobicContact CG-CD1 4.11Å; Q655-L659 WeakPolarHBondContact O-CD1 3.37Å; Q655-L659 PolarHBondContact O-N 2.81Å; K656-L659 PolarHBondContact O-N 2.96Å; L659-K661 VanDerWaalsContact C-N 3.32Å; L659-K661 PolarHBondContact O-N 3.05Å; L659-Q662 PolarHBondContact O-N 3.13Å; L659-Q662 VanDerWaalsContact O-N 3.11Å; L659-I666 HydrophobicContact CB-CD1 3.92Å; L659-I666 HydrophobicContact CB-CG1 4.12Å; L659-I666 HydrophobicContact CD2-CD1 4.07Å; L659-I666 HydrophobicContact CD2-CG1 3.82Å |
| 660 | E | 45.3 | Very low | 47 | Very low | 131 Ų | 131 | 104.9 Ų | 104.9 | 61% | 0.612 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.4 | -38.8 | 179.5 | -163.5 | 167.5 | -105.8 | 0 | 0 | 111.8 | K656 Q662 | K656-E660 VanDerWaalsContact O-CB 3.29Å; K656-E660 WeakPolarHBondContact O-CB 3.45Å; K656-E660 PolarHBondContact O-N 2.89Å; E660-Q662 VanDerWaalsContact C-N 3.33Å; E660-Q662 PolarHBondContact O-N 2.92Å |
| 661 | K | 51.9 | Low | 47 | Very low | 157 Ų | 157 | 104.8 Ų | 104.8 | 68% | 0.683 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -1.6 | 176.5 | -67.2 | -177.8 | -178 | 175.7 | 0 | 115.2 | E657 L659 | E657-K661 HydrophobicContact CG-CD 3.92Å; E657-K661 WeakPolarHBondContact O-CB 3.26Å; E657-K661 WeakPolarHBondContact O-CG 3.39Å; E657-K661 PolarHBondContact O-N 2.92Å; E657-K661 VanDerWaalsContact O-N 3.08Å; E657-K661 IonicContact OE1-NZ 3.71Å; E657-K661 PolarHBondContact OE1-NZ 2.88Å; L659-K661 VanDerWaalsContact C-N 3.32Å; L659-K661 PolarHBondContact O-N 3.05Å |
| 662 | Q | 39.3 | Very low | 47.7 | Very low | 109 Ų | 109 | 101 Ų | 101 | 51% | 0.509 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98 | -8.5 | 174.2 | -75.4 | -177.2 | 11.1 | 0 | 0 | 113.8 | L658 L659 E660 I664 | L658-Q662 WeakPolarHBondContact O-CG 3.44Å; L659-Q662 PolarHBondContact O-N 3.13Å; L659-Q662 VanDerWaalsContact O-N 3.11Å; E660-Q662 VanDerWaalsContact C-N 3.33Å; E660-Q662 PolarHBondContact O-N 2.92Å; Q662-I664 HydrophobicContact CB-CD1 4.28Å; Q662-I664 HydrophobicContact CB-CG1 4.48Å; Q662-I664 PolarHBondContact O-N 3.37Å |
| 663 | G | 43.7 | Very low | 47.8 | Very low | 77 Ų | 77 | 104 Ų | 104 | 79% | 0.794 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.4 | 22.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 664 | I | 44.4 | Very low | 47.6 | Very low | 85 Ų | 85 | 103 Ų | 103 | 44% | 0.436 | 51% | 0.509 | S | S | . | . | trans | -100.7 | 126.7 | 179.8 | -64.5 | 169.7 | 0 | 0 | 0 | 108.4 | Q662 I666 E669 | Q662-I664 HydrophobicContact CB-CD1 4.28Å; Q662-I664 HydrophobicContact CB-CG1 4.48Å; Q662-I664 PolarHBondContact O-N 3.37Å; I664-I666 PolarHBondContact O-N 3.1Å; I664-E669 HydrophobicContact CG2-CB 3.5Å; I664-E669 VanDerWaalsContact CG2-CB 3.5Å; I664-E669 HydrophobicContact CG2-CG 3.79Å | ||
| 665 | D | 42.7 | Very low | 47.8 | Very low | 94 Ų | 94 | 107 Ų | 107 | 50% | 0.503 | 52% | 0.523 | S | S | . | . | trans | -62.4 | 106.6 | 172.6 | 179.6 | -9.4 | 0 | 0 | 0 | 109.6 | K667 L668 E669 | D665-K667 PolarHBondContact O-N 3.43Å; D665-K667 WeakPolarHBondContact OD1-CA 3.38Å; D665-K667 VanDerWaalsContact OD1-CB 3.25Å; D665-K667 WeakPolarHBondContact OD1-CB 3.22Å; D665-K667 PolarHBondContact OD1-N 3.39Å; D665-L668 HydrophobicContact CB-CB 3.93Å; D665-L668 PolarHBondContact O-N 2.76Å; D665-L668 PolarHBondContact OD1-N 3.13Å; D665-E669 WeakPolarHBondContact O-CB 3.34Å; D665-E669 PolarHBondContact O-N 3.11Å | ||
| 666 | I | 48.6 | Very low | 48.4 | Very low | 90 Ų | 90 | 106.5 Ų | 106.5 | 46% | 0.462 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -51.8 | -39.9 | 179.1 | -68.7 | -179.3 | 0 | 0 | 0 | 111.1 | L659 I664 M670 | L659-I666 HydrophobicContact CB-CD1 3.92Å; L659-I666 HydrophobicContact CB-CG1 4.12Å; L659-I666 HydrophobicContact CD2-CD1 4.07Å; L659-I666 HydrophobicContact CD2-CG1 3.82Å; I664-I666 PolarHBondContact O-N 3.1Å; I666-M670 WeakPolarHBondContact O-CB 3.29Å; I666-M670 PolarHBondContact O-N 2.77Å |
| 667 | K | 45.5 | Very low | 48.6 | Very low | 164 Ų | 164 | 104.3 Ų | 104.3 | 71% | 0.713 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -70.8 | -47 | -175.7 | -164 | 174.5 | -176.4 | 176.2 | 0 | 110.3 | D665 E671 | D665-K667 PolarHBondContact O-N 3.43Å; D665-K667 WeakPolarHBondContact OD1-CA 3.38Å; D665-K667 VanDerWaalsContact OD1-CB 3.25Å; D665-K667 WeakPolarHBondContact OD1-CB 3.22Å; D665-K667 PolarHBondContact OD1-N 3.39Å; K667-E671 VanDerWaalsContact O-CB 3.3Å; K667-E671 WeakPolarHBondContact O-CB 3.34Å; K667-E671 PolarHBondContact O-N 3.01Å |
| 668 | L | 47.4 | Very low | 48.3 | Very low | 114 Ų | 114 | 106.3 Ų | 106.3 | 60% | 0.597 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -68.6 | -44.1 | 179.7 | -160.9 | 76.1 | 0 | 0 | 0 | 112.2 | D665 K672 | D665-L668 HydrophobicContact CB-CB 3.93Å; D665-L668 PolarHBondContact O-N 2.76Å; D665-L668 PolarHBondContact OD1-N 3.13Å; L668-K672 WeakPolarHBondContact O-CB 3.46Å; L668-K672 PolarHBondContact O-N 3.02Å |
| 669 | E | 49.2 | Very low | 48.7 | Very low | 54 Ų | 54 | 106.3 Ų | 106.3 | 25% | 0.252 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -74.2 | -29.3 | -179 | -169.6 | 62.5 | -154.3 | 0 | 0 | 112.1 | I664 D665 K672 R673 | I664-E669 HydrophobicContact CG2-CB 3.5Å; I664-E669 VanDerWaalsContact CG2-CB 3.5Å; I664-E669 HydrophobicContact CG2-CG 3.79Å; D665-E669 WeakPolarHBondContact O-CB 3.34Å; D665-E669 PolarHBondContact O-N 3.11Å; E669-K672 IonicContact OE1-NZ 2.83Å; E669-K672 PolarHBondContact OE1-NZ 2.97Å; E669-K672 IonicContact OE2-NZ 3.8Å; E669-K672 PolarHBondContact OE2-NZ 3.43Å; E669-R673 VanDerWaalsContact O-CB 3.28Å; E669-R673 WeakPolarHBondContact O-CB 3.3Å; E669-R673 VanDerWaalsContact O-CG 3.29Å; E669-R673 WeakPolarHBondContact O-CG 3.48Å; E669-R673 PolarHBondContact O-N 3.09Å; E669-R673 IonicContact OE1-NE 3.25Å |
| 670 | M | 43.1 | Very low | 48.8 | Very low | 138 Ų | 138 | 108.6 Ų | 108.6 | 68% | 0.68 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -75.6 | -38.4 | 173.1 | -173.3 | 161.8 | 162.6 | 0 | 0 | 112.2 | I666 L674 | I666-M670 WeakPolarHBondContact O-CB 3.29Å; I666-M670 PolarHBondContact O-N 2.77Å; M670-L674 WeakPolarHBondContact O-CB 3.48Å; M670-L674 PolarHBondContact O-N 3.03Å |
| 671 | E | 49.2 | Very low | 48.9 | Very low | 113 Ų | 113 | 110.4 Ų | 110.4 | 53% | 0.528 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66.2 | -40.9 | 171.6 | -174.9 | 164.8 | -154 | 0 | 0 | 111.4 | K667 L674 Q675 | K667-E671 VanDerWaalsContact O-CB 3.3Å; K667-E671 WeakPolarHBondContact O-CB 3.34Å; K667-E671 PolarHBondContact O-N 3.01Å; E671-L674 PolarHBondContact O-N 3Å; E671-Q675 WeakPolarHBondContact O-CG 3.32Å; E671-Q675 PolarHBondContact O-N 3.2Å |
| 672 | K | 54.8 | Low | 49 | Very low | 93 Ų | 93 | 109.4 Ų | 109.4 | 40% | 0.404 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.6 | -47.5 | 172.3 | 172.5 | 164.9 | 152.9 | -82 | 0 | 112.2 | L668 E669 L674 Q675 D676 | L668-K672 WeakPolarHBondContact O-CB 3.46Å; L668-K672 PolarHBondContact O-N 3.02Å; E669-K672 IonicContact OE1-NZ 2.83Å; E669-K672 PolarHBondContact OE1-NZ 2.97Å; E669-K672 IonicContact OE2-NZ 3.8Å; E669-K672 PolarHBondContact OE2-NZ 3.43Å; K672-L674 VanDerWaalsContact C-N 3.27Å; K672-L674 PolarHBondContact O-N 2.86Å; K672-Q675 CarbonylContact O-C 3.55Å; K672-Q675 PolarHBondContact O-N 3.23Å; K672-Q675 VanDerWaalsContact O-N 3.16Å; K672-D676 WeakPolarHBondContact O-CB 3.37Å; K672-D676 PolarHBondContact O-N 3.37Å |
| 673 | R | 50.7 | Low | 50.1 | Low | 166 Ų | 166 | 110.5 Ų | 110.5 | 63% | 0.626 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -61.8 | -33.7 | 173.6 | -80.2 | -178.5 | 178.4 | -167.2 | -0.3 | 112.7 | E669 V677 | E669-R673 VanDerWaalsContact O-CB 3.28Å; E669-R673 WeakPolarHBondContact O-CB 3.3Å; E669-R673 VanDerWaalsContact O-CG 3.29Å; E669-R673 WeakPolarHBondContact O-CG 3.48Å; E669-R673 PolarHBondContact O-N 3.09Å; E669-R673 IonicContact OE1-NE 3.25Å; R673-V677 WeakPolarHBondContact O-CB 3.41Å; R673-V677 VanDerWaalsContact O-CG2 3.25Å; R673-V677 WeakPolarHBondContact O-CG2 3.3Å; R673-V677 PolarHBondContact O-N 2.92Å |
| 674 | L | 47.2 | Very low | 50.4 | Low | 114 Ų | 114 | 111.3 Ų | 111.3 | 60% | 0.597 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -68 | -41.9 | 174.3 | -170.2 | 66.8 | 0 | 0 | 0 | 111.3 | M670 E671 K672 V677 E678 | M670-L674 WeakPolarHBondContact O-CB 3.48Å; M670-L674 PolarHBondContact O-N 3.03Å; E671-L674 PolarHBondContact O-N 3Å; K672-L674 VanDerWaalsContact C-N 3.27Å; K672-L674 PolarHBondContact O-N 2.86Å; L674-V677 PolarHBondContact O-N 2.88Å; L674-E678 WeakPolarHBondContact O-CB 3.3Å; L674-E678 PolarHBondContact O-N 3.29Å |
| 675 | Q | 50.5 | Low | 50.8 | Low | 116 Ų | 116 | 113 Ų | 113 | 54% | 0.542 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.9 | -39.9 | 172.8 | -71.7 | -176.1 | 17 | 0 | 0 | 112.6 | E671 K672 E678 T679 | E671-Q675 WeakPolarHBondContact O-CG 3.32Å; E671-Q675 PolarHBondContact O-N 3.2Å; K672-Q675 CarbonylContact O-C 3.55Å; K672-Q675 PolarHBondContact O-N 3.23Å; K672-Q675 VanDerWaalsContact O-N 3.16Å; Q675-E678 PolarHBondContact O-N 3.39Å; Q675-T679 WeakPolarHBondContact O-CB 3.46Å; Q675-T679 PolarHBondContact O-N 3.2Å; Q675-T679 PolarHBondContact O-OG1 3.07Å |
| 676 | D | 59.3 | Low | 51.2 | Low | 87 Ų | 87 | 114 Ų | 114 | 47% | 0.465 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.6 | -40.4 | 176.1 | -75.3 | -32.3 | 0 | 0 | 0 | 110.8 | K672 T679 Q680 | K672-D676 WeakPolarHBondContact O-CB 3.37Å; K672-D676 PolarHBondContact O-N 3.37Å; D676-T679 PolarHBondContact O-N 2.99Å; D676-Q680 WeakPolarHBondContact O-CB 3.47Å; D676-Q680 PolarHBondContact O-N 3.11Å |
| 677 | V | 53 | Low | 51.4 | Low | 88 Ų | 88 | 115.7 Ų | 115.7 | 53% | 0.533 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -70.5 | -40.7 | 174.5 | 169.2 | 0 | 0 | 0 | 0 | 112 | R673 L674 T679 Q680 Y681 | R673-V677 WeakPolarHBondContact O-CB 3.41Å; R673-V677 VanDerWaalsContact O-CG2 3.25Å; R673-V677 WeakPolarHBondContact O-CG2 3.3Å; R673-V677 PolarHBondContact O-N 2.92Å; L674-V677 PolarHBondContact O-N 2.88Å; V677-T679 VanDerWaalsContact C-N 3.28Å; V677-T679 PolarHBondContact O-N 3.15Å; V677-Q680 PolarHBondContact O-N 2.96Å; V677-Y681 VanDerWaalsContact O-CB 3.26Å; V677-Y681 WeakPolarHBondContact O-CB 3.41Å; V677-Y681 PolarHBondContact O-N 3.36Å |
| 678 | E | 50.6 | Low | 51.3 | Low | 117 Ų | 117 | 110.4 Ų | 110.4 | 55% | 0.547 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63 | -36.5 | 171.6 | -81.2 | -152.2 | 156.4 | 0 | 0 | 112 | L674 Q675 R682 | L674-E678 WeakPolarHBondContact O-CB 3.3Å; L674-E678 PolarHBondContact O-N 3.29Å; Q675-E678 PolarHBondContact O-N 3.39Å; E678-R682 WeakPolarHBondContact O-CB 3.38Å; E678-R682 PolarHBondContact O-N 3.48Å; E678-R682 IonicContact OE2-NH2 3.94Å |
| 679 | T | 59.2 | Low | 51.3 | Low | 65 Ų | 65 | 108.7 Ų | 108.7 | 40% | 0.399 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -76.2 | -36.3 | 179.5 | -59.3 | 0 | 0 | 0 | 0 | 111.4 | Q675 D676 V677 R682 K683 | Q675-T679 WeakPolarHBondContact O-CB 3.46Å; Q675-T679 PolarHBondContact O-N 3.2Å; Q675-T679 PolarHBondContact O-OG1 3.07Å; D676-T679 PolarHBondContact O-N 2.99Å; V677-T679 VanDerWaalsContact C-N 3.28Å; V677-T679 PolarHBondContact O-N 3.15Å; T679-R682 PolarHBondContact O-N 3.47Å; T679-K683 WeakPolarHBondContact O-CB 3.37Å; T679-K683 WeakPolarHBondContact O-CG 3.42Å; T679-K683 PolarHBondContact O-N 3.01Å |
| 680 | Q | 48.4 | Very low | 51.4 | Low | 108 Ų | 108 | 111.5 Ų | 111.5 | 51% | 0.505 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67.7 | -46 | 172.2 | -178.6 | 174.1 | -14.5 | 0 | 0 | 110.4 | D676 V677 R682 K683 E684 | D676-Q680 WeakPolarHBondContact O-CB 3.47Å; D676-Q680 PolarHBondContact O-N 3.11Å; V677-Q680 PolarHBondContact O-N 2.96Å; Q680-R682 VanDerWaalsContact C-N 3.27Å; Q680-R682 PolarHBondContact O-N 3.4Å; Q680-K683 CarbonylContact O-C 3.58Å; Q680-K683 WeakPolarHBondContact O-CB 3.38Å; Q680-K683 PolarHBondContact O-N 3.4Å; Q680-K683 VanDerWaalsContact O-N 3.1Å; Q680-E684 HydrophobicContact CG-CG 4.28Å; Q680-E684 WeakPolarHBondContact CG-OE1 3.46Å; Q680-E684 PolarHBondContact NE2-OE1 2.68Å; Q680-E684 WeakPolarHBondContact O-CB 3.14Å; Q680-E684 WeakPolarHBondContact O-CG 3.49Å; Q680-E684 PolarHBondContact O-N 3.5Å |
| 681 | Y | 49.1 | Very low | 51.8 | Low | 169 Ų | 169 | 110 Ų | 110 | 66% | 0.663 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.7 | -32.8 | 175.6 | -166.9 | -102.1 | 0 | 0 | 0 | 111.9 | V677 K685 | V677-Y681 VanDerWaalsContact O-CB 3.26Å; V677-Y681 WeakPolarHBondContact O-CB 3.41Å; V677-Y681 PolarHBondContact O-N 3.36Å; Y681-K685 WeakPolarHBondContact O-CB 3.45Å; Y681-K685 PolarHBondContact O-N 2.7Å |
| 682 | R | 54.2 | Low | 51.4 | Low | 136 Ų | 136 | 110.5 Ų | 110.5 | 51% | 0.513 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67.8 | -40.8 | 170.8 | -167.1 | 176.7 | -51.8 | 170.6 | 10.1 | 111.9 | E678 T679 Q680 E686 | E678-R682 WeakPolarHBondContact O-CB 3.38Å; E678-R682 PolarHBondContact O-N 3.48Å; E678-R682 IonicContact OE2-NH2 3.94Å; T679-R682 PolarHBondContact O-N 3.47Å; Q680-R682 VanDerWaalsContact C-N 3.27Å; Q680-R682 PolarHBondContact O-N 3.4Å; R682-E686 WeakPolarHBondContact CG-OE1 3.48Å; R682-E686 VanDerWaalsContact O-CB 3.29Å; R682-E686 WeakPolarHBondContact O-CB 3.37Å; R682-E686 VanDerWaalsContact O-CG 3.25Å; R682-E686 WeakPolarHBondContact O-CG 3.38Å; R682-E686 PolarHBondContact O-N 2.95Å |
| 683 | K | 60.5 | Low | 51 | Low | 132 Ų | 132 | 109.9 Ų | 109.9 | 57% | 0.574 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -67.4 | -46.6 | 174 | -85 | -175.1 | 172.7 | -176.4 | 0 | 113.1 | T679 Q680 K685 E686 E687 | T679-K683 WeakPolarHBondContact O-CB 3.37Å; T679-K683 WeakPolarHBondContact O-CG 3.42Å; T679-K683 PolarHBondContact O-N 3.01Å; Q680-K683 CarbonylContact O-C 3.58Å; Q680-K683 WeakPolarHBondContact O-CB 3.38Å; Q680-K683 PolarHBondContact O-N 3.4Å; Q680-K683 VanDerWaalsContact O-N 3.1Å; K683-K685 VanDerWaalsContact C-N 3.25Å; K683-K685 PolarHBondContact O-N 2.95Å; K683-E686 CarbonylContact O-C 3.58Å; K683-E686 PolarHBondContact O-N 2.91Å; K683-E686 VanDerWaalsContact O-N 3.11Å; K683-E687 WeakPolarHBondContact O-CB 3.46Å; K683-E687 WeakPolarHBondContact O-CG 3.31Å; K683-E687 PolarHBondContact O-N 2.76Å |
| 684 | E | 50.9 | Low | 50.7 | Low | 94 Ų | 94 | 107.1 Ų | 107.1 | 44% | 0.439 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.8 | -34.9 | 176.7 | -73.6 | 175.6 | -172 | 0 | 0 | 110.7 | Q680 A688 | Q680-E684 HydrophobicContact CG-CG 4.28Å; Q680-E684 WeakPolarHBondContact CG-OE1 3.46Å; Q680-E684 PolarHBondContact NE2-OE1 2.68Å; Q680-E684 WeakPolarHBondContact O-CB 3.14Å; Q680-E684 WeakPolarHBondContact O-CG 3.49Å; Q680-E684 PolarHBondContact O-N 3.5Å; E684-A688 WeakPolarHBondContact O-CB 3.47Å; E684-A688 PolarHBondContact O-N 2.93Å |
| 685 | K | 52.7 | Low | 50.4 | Low | 121 Ų | 121 | 108.9 Ų | 108.9 | 53% | 0.526 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.9 | -45.6 | 168.9 | -167.9 | -161.5 | 170.1 | -132.4 | 0 | 111.9 | Y681 K683 E687 A688 D689 | Y681-K685 WeakPolarHBondContact O-CB 3.45Å; Y681-K685 PolarHBondContact O-N 2.7Å; K683-K685 VanDerWaalsContact C-N 3.25Å; K683-K685 PolarHBondContact O-N 2.95Å; K685-E687 VanDerWaalsContact C-N 3.3Å; K685-E687 PolarHBondContact O-N 3.4Å; K685-A688 PolarHBondContact O-N 2.61Å; K685-D689 VanDerWaalsContact CE-OD2 3.29Å; K685-D689 WeakPolarHBondContact CE-OD2 3Å; K685-D689 IonicContact NZ-OD2 2.78Å; K685-D689 PolarHBondContact NZ-OD2 3.39Å; K685-D689 VanDerWaalsContact O-CB 3.28Å; K685-D689 WeakPolarHBondContact O-CB 3.47Å; K685-D689 PolarHBondContact O-N 3.39Å |
| 686 | E | 51.6 | Low | 49.9 | Very low | 115 Ų | 115 | 108.8 Ų | 108.8 | 54% | 0.537 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.8 | -32.8 | 177.1 | -78.6 | 168.9 | -168.7 | 0 | 0 | 111.9 | R682 K683 L690 | R682-E686 WeakPolarHBondContact CG-OE1 3.48Å; R682-E686 VanDerWaalsContact O-CB 3.29Å; R682-E686 WeakPolarHBondContact O-CB 3.37Å; R682-E686 VanDerWaalsContact O-CG 3.25Å; R682-E686 WeakPolarHBondContact O-CG 3.38Å; R682-E686 PolarHBondContact O-N 2.95Å; K683-E686 CarbonylContact O-C 3.58Å; K683-E686 PolarHBondContact O-N 2.91Å; K683-E686 VanDerWaalsContact O-N 3.11Å; E686-L690 WeakPolarHBondContact O-CA 3.25Å; E686-L690 WeakPolarHBondContact O-CB 3.47Å; E686-L690 PolarHBondContact O-N 2.9Å |
| 687 | E | 52.5 | Low | 49 | Very low | 126 Ų | 126 | 109 Ų | 109 | 59% | 0.589 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -75.1 | -35.4 | 172.5 | -76.5 | -172.7 | 149.9 | 0 | 0 | 112.1 | K683 K685 L690 L691 | K683-E687 WeakPolarHBondContact O-CB 3.46Å; K683-E687 WeakPolarHBondContact O-CG 3.31Å; K683-E687 PolarHBondContact O-N 2.76Å; K685-E687 VanDerWaalsContact C-N 3.3Å; K685-E687 PolarHBondContact O-N 3.4Å; E687-L690 PolarHBondContact O-N 3.28Å; E687-L691 VanDerWaalsContact O-CB 3.25Å; E687-L691 WeakPolarHBondContact O-CB 2.98Å; E687-L691 WeakPolarHBondContact O-CG 3.44Å; E687-L691 PolarHBondContact O-N 3.15Å |
| 688 | A | 44.2 | Very low | 48.3 | Very low | 52 Ų | 52 | 113.8 Ų | 113.8 | 43% | 0.43 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -68.1 | -43.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | E684 K685 L691 L692 | E684-A688 WeakPolarHBondContact O-CB 3.47Å; E684-A688 PolarHBondContact O-N 2.93Å; K685-A688 PolarHBondContact O-N 2.61Å; A688-L691 PolarHBondContact O-N 3.12Å; A688-L692 WeakPolarHBondContact O-CB 3.43Å; A688-L692 PolarHBondContact O-N 2.84Å |
| 689 | D | 47.5 | Very low | 47.9 | Very low | 78 Ų | 78 | 111.4 Ų | 111.4 | 42% | 0.417 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.6 | -38.3 | 172.8 | -74.4 | -24.9 | 0 | 0 | 0 | 109.9 | K685 L692 E693 | K685-D689 VanDerWaalsContact CE-OD2 3.29Å; K685-D689 WeakPolarHBondContact CE-OD2 3Å; K685-D689 IonicContact NZ-OD2 2.78Å; K685-D689 PolarHBondContact NZ-OD2 3.39Å; K685-D689 VanDerWaalsContact O-CB 3.28Å; K685-D689 WeakPolarHBondContact O-CB 3.47Å; K685-D689 PolarHBondContact O-N 3.39Å; D689-L692 WeakPolarHBondContact O-CB 3.38Å; D689-L692 PolarHBondContact O-N 2.91Å; D689-E693 WeakPolarHBondContact O-CB 3.45Å; D689-E693 PolarHBondContact O-N 3.42Å |
| 690 | L | 50.7 | Low | 47 | Very low | 113 Ų | 113 | 111.4 Ų | 111.4 | 59% | 0.592 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -72.3 | -32.8 | 175.2 | -170.3 | 76.6 | 0 | 0 | 0 | 112.8 | E686 E687 E693 Q694 | E686-L690 WeakPolarHBondContact O-CA 3.25Å; E686-L690 WeakPolarHBondContact O-CB 3.47Å; E686-L690 PolarHBondContact O-N 2.9Å; E687-L690 PolarHBondContact O-N 3.28Å; L690-E693 PolarHBondContact O-N 3.04Å; L690-Q694 WeakPolarHBondContact O-CB 3.45Å; L690-Q694 PolarHBondContact O-N 3.3Å |
| 691 | L | 51 | Low | 46.5 | Very low | 108 Ų | 108 | 111 Ų | 111 | 57% | 0.565 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -68.5 | -39 | 170.2 | -88.5 | 162.9 | 0 | 0 | 0 | 110.5 | E687 A688 Q694 H695 | E687-L691 VanDerWaalsContact O-CB 3.25Å; E687-L691 WeakPolarHBondContact O-CB 2.98Å; E687-L691 WeakPolarHBondContact O-CG 3.44Å; E687-L691 PolarHBondContact O-N 3.15Å; A688-L691 PolarHBondContact O-N 3.12Å; L691-Q694 PolarHBondContact O-N 3.32Å; L691-H695 VanDerWaalsContact O-CB 3.23Å; L691-H695 WeakPolarHBondContact O-CB 3.39Å; L691-H695 PolarHBondContact O-N 2.59Å |
| 692 | L | 41.9 | Very low | 46.2 | Very low | 123 Ų | 123 | 110.5 Ų | 110.5 | 64% | 0.644 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63.4 | -45 | 171.8 | -122.2 | 149.2 | 0 | 0 | 0 | 110.8 | A688 D689 H695 R696 | A688-L692 WeakPolarHBondContact O-CB 3.43Å; A688-L692 PolarHBondContact O-N 2.84Å; D689-L692 WeakPolarHBondContact O-CB 3.38Å; D689-L692 PolarHBondContact O-N 2.91Å; L692-H695 PolarHBondContact O-N 2.83Å; L692-R696 VanDerWaalsContact O-CB 3.24Å; L692-R696 WeakPolarHBondContact O-CB 3.44Å; L692-R696 PolarHBondContact O-N 3.12Å |
| 693 | E | 46.5 | Very low | 45.5 | Very low | 79 Ų | 79 | 106.4 Ų | 106.4 | 37% | 0.369 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67 | -36.6 | 176.1 | -163.5 | 65.3 | -131.2 | 0 | 0 | 111.8 | D689 L690 R696 L697 | D689-E693 WeakPolarHBondContact O-CB 3.45Å; D689-E693 PolarHBondContact O-N 3.42Å; L690-E693 PolarHBondContact O-N 3.04Å; E693-R696 CarbonylContact O-C 3.53Å; E693-R696 WeakPolarHBondContact O-CB 3.47Å; E693-R696 PolarHBondContact O-N 3.41Å; E693-R696 IonicContact OE1-CZ 2.69Å; E693-R696 IonicContact OE1-NE 3.55Å; E693-R696 PolarHBondContact OE1-NE 2.94Å; E693-R696 IonicContact OE1-NH2 3.26Å; E693-R696 PolarHBondContact OE1-NH2 2.81Å; E693-R696 IonicContact OE2-NE 3.68Å; E693-L697 HydrophobicContact CG-CD1 4.26Å; E693-L697 VanDerWaalsContact O-CB 3.29Å; E693-L697 WeakPolarHBondContact O-CB 3.43Å; E693-L697 WeakPolarHBondContact O-CD1 3.45Å; E693-L697 WeakPolarHBondContact O-CG 3.43Å; E693-L697 PolarHBondContact O-N 3.2Å |
| 694 | Q | 43.4 | Very low | 44.5 | Very low | 109 Ų | 109 | 103.3 Ų | 103.3 | 51% | 0.509 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -68.6 | -41.3 | 174.4 | -178.7 | 179.8 | 88.9 | 0 | 0 | 111.3 | L690 L691 R696 L697 Y698 | L690-Q694 WeakPolarHBondContact O-CB 3.45Å; L690-Q694 PolarHBondContact O-N 3.3Å; L691-Q694 PolarHBondContact O-N 3.32Å; Q694-R696 VanDerWaalsContact C-N 3.27Å; Q694-R696 PolarHBondContact O-N 3.45Å; Q694-L697 PolarHBondContact O-N 3.36Å; Q694-Y698 HydrophobicContact CG-CD2 4.39Å; Q694-Y698 WeakPolarHBondContact O-CB 3.18Å; Q694-Y698 PolarHBondContact O-N 3.05Å |
| 695 | H | 40.1 | Very low | 44.1 | Very low | 150 Ų | 150 | 106.7 Ų | 106.7 | 69% | 0.694 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -71.6 | -25.3 | 175.8 | -152.9 | -51.6 | 0 | 0 | 0 | 111.8 | L691 L692 A699 | L691-H695 VanDerWaalsContact O-CB 3.23Å; L691-H695 WeakPolarHBondContact O-CB 3.39Å; L691-H695 PolarHBondContact O-N 2.59Å; L692-H695 PolarHBondContact O-N 2.83Å; H695-A699 PolarHBondContact O-N 3.06Å |
| 696 | R | 41.2 | Very low | 43.6 | Very low | 114 Ų | 114 | 103.3 Ų | 103.3 | 43% | 0.43 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -73.3 | -44 | 168.4 | -159.5 | -178.3 | 81 | 65.7 | 9.7 | 111.3 | L692 E693 Q694 A699 D700 | L692-R696 VanDerWaalsContact O-CB 3.24Å; L692-R696 WeakPolarHBondContact O-CB 3.44Å; L692-R696 PolarHBondContact O-N 3.12Å; E693-R696 CarbonylContact O-C 3.53Å; E693-R696 WeakPolarHBondContact O-CB 3.47Å; E693-R696 PolarHBondContact O-N 3.41Å; E693-R696 IonicContact OE1-CZ 2.69Å; E693-R696 IonicContact OE1-NE 3.55Å; E693-R696 PolarHBondContact OE1-NE 2.94Å; E693-R696 IonicContact OE1-NH2 3.26Å; E693-R696 PolarHBondContact OE1-NH2 2.81Å; E693-R696 IonicContact OE2-NE 3.68Å; Q694-R696 VanDerWaalsContact C-N 3.27Å; Q694-R696 PolarHBondContact O-N 3.45Å; R696-A699 CarbonylContact O-C 3.56Å; R696-A699 WeakPolarHBondContact O-CB 3.19Å; R696-A699 PolarHBondContact O-N 2.86Å; R696-A699 VanDerWaalsContact O-N 3.13Å; R696-D700 IonicContact CZ-OD2 3.83Å; R696-D700 IonicContact NH1-OD1 2.7Å; R696-D700 IonicContact NH1-OD2 2.72Å; R696-D700 PolarHBondContact NH1-OD2 2.59Å; R696-D700 IonicContact NH2-OD2 2.64Å; R696-D700 WeakPolarHBondContact O-CB 3.34Å; R696-D700 PolarHBondContact O-N 3.06Å |
| 697 | L | 40.2 | Very low | 43.2 | Very low | 91 Ų | 91 | 102.2 Ų | 102.2 | 48% | 0.476 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -67.5 | -35.2 | 176.8 | -76.1 | 165 | 0 | 0 | 0 | 112.5 | E693 Q694 A699 D700 S701 | E693-L697 HydrophobicContact CG-CD1 4.26Å; E693-L697 VanDerWaalsContact O-CB 3.29Å; E693-L697 WeakPolarHBondContact O-CB 3.43Å; E693-L697 WeakPolarHBondContact O-CD1 3.45Å; E693-L697 WeakPolarHBondContact O-CG 3.43Å; E693-L697 PolarHBondContact O-N 3.2Å; Q694-L697 PolarHBondContact O-N 3.36Å; L697-A699 VanDerWaalsContact C-N 3.25Å; L697-A699 PolarHBondContact O-N 3.45Å; L697-D700 PolarHBondContact O-N 3.02Å; L697-S701 WeakPolarHBondContact O-CB 3.36Å; L697-S701 PolarHBondContact O-N 3.15Å; L697-S701 PolarHBondContact O-OG 2.74Å |
| 698 | Y | 38.2 | Very low | 42.6 | Very low | 189 Ų | 189 | 103.4 Ų | 103.4 | 74% | 0.741 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -66.5 | -26.3 | 171.2 | -108.6 | -89.9 | 0 | 0 | 0 | 112.8 | Q694 | Q694-Y698 HydrophobicContact CG-CD2 4.39Å; Q694-Y698 WeakPolarHBondContact O-CB 3.18Å; Q694-Y698 PolarHBondContact O-N 3.05Å |
| 699 | A | 42.7 | Very low | 42.4 | Very low | 68 Ų | 68 | 107 Ų | 107 | 56% | 0.562 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -83.7 | -39.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | H695 R696 L697 S701 | H695-A699 PolarHBondContact O-N 3.06Å; R696-A699 CarbonylContact O-C 3.56Å; R696-A699 WeakPolarHBondContact O-CB 3.19Å; R696-A699 PolarHBondContact O-N 2.86Å; R696-A699 VanDerWaalsContact O-N 3.13Å; L697-A699 VanDerWaalsContact C-N 3.25Å; L697-A699 PolarHBondContact O-N 3.45Å; A699-S701 VanDerWaalsContact C-N 3.26Å; A699-S701 PolarHBondContact O-N 2.99Å |
| 700 | D | 39 | Very low | 41.9 | Very low | 65 Ų | 65 | 108 Ų | 108 | 35% | 0.348 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -70.9 | -19.7 | 177.1 | -75.9 | -5.9 | 0 | 0 | 0 | 112.6 | R696 L697 D702 S703 | R696-D700 IonicContact CZ-OD2 3.83Å; R696-D700 IonicContact NH1-OD1 2.7Å; R696-D700 IonicContact NH1-OD2 2.72Å; R696-D700 PolarHBondContact NH1-OD2 2.59Å; R696-D700 IonicContact NH2-OD2 2.64Å; R696-D700 WeakPolarHBondContact O-CB 3.34Å; R696-D700 PolarHBondContact O-N 3.06Å; L697-D700 PolarHBondContact O-N 3.02Å; D700-D702 PolarHBondContact O-N 2.89Å; D700-D702 VanDerWaalsContact O-N 3.1Å; D700-S703 CarbonylContact O-C 3.52Å; D700-S703 PolarHBondContact O-N 3.4Å |
| 701 | S | 39.2 | Very low | 41.5 | Very low | 100 Ų | 100 | 105.8 Ų | 105.8 | 70% | 0.699 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.8 | -15.3 | 179 | -71 | 0 | 0 | 0 | 0 | 114.5 | L697 A699 | L697-S701 WeakPolarHBondContact O-CB 3.36Å; L697-S701 PolarHBondContact O-N 3.15Å; L697-S701 PolarHBondContact O-OG 2.74Å; A699-S701 VanDerWaalsContact C-N 3.26Å; A699-S701 PolarHBondContact O-N 2.99Å |
| 702 | D | 42.3 | Very low | 40.9 | Very low | 157 Ų | 157 | 104.7 Ų | 104.7 | 84% | 0.84 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.3 | 8.9 | 174.4 | -160.5 | 36 | 0 | 0 | 0 | 113.2 | D700 | D700-D702 PolarHBondContact O-N 2.89Å; D700-D702 VanDerWaalsContact O-N 3.1Å |
| 703 | S | 39.9 | Very low | 40.8 | Very low | 51 Ų | 51 | 104.6 Ų | 104.6 | 36% | 0.357 | 56% | 0.564 | S | S | . | * | S | Bend | trans | -151.3 | 90.9 | 172.9 | 124.2 | 0 | 0 | 0 | 0 | 112.6 | D700 R710 | D700-S703 CarbonylContact O-C 3.52Å; D700-S703 PolarHBondContact O-N 3.4Å; S703-R710 PolarHBondContact OG-NH1 3.01Å |
| 704 | G | 38.3 | Very low | 40.6 | Very low | 66 Ų | 66 | 106 Ų | 106 | 68% | 0.68 | 57% | 0.571 | S | S | * | * | trans | -66.9 | 147.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 705 | D | 43.2 | Very low | 40.6 | Very low | 165 Ų | 165 | 102.5 Ų | 102.5 | 88% | 0.882 | 56% | 0.558 | S | S | * | * | S | Bend | trans | 50.1 | 63.7 | 155.7 | -163.1 | 29.5 | 0 | 0 | 0 | 118.3 | ||
| 706 | D | 43.4 | Very low | 40.7 | Very low | 51 Ų | 51 | 99 Ų | 99 | 27% | 0.273 | 54% | 0.539 | S | S | . | . | trans | -157 | 20.8 | 154.4 | -132.6 | -13.7 | 0 | 0 | 0 | 118.2 | D708 K709 R710 | D706-D708 PolarHBondContact O-N 3.18Å; D706-K709 PolarHBondContact O-N 2.78Å; D706-K709 WeakPolarHBondContact OD1-CB 3.47Å; D706-K709 VanDerWaalsContact OD1-CD 3.3Å; D706-K709 WeakPolarHBondContact OD1-CD 3.44Å; D706-K709 WeakPolarHBondContact OD1-CE 3.35Å; D706-K709 WeakPolarHBondContact OD1-CG 3.33Å; D706-K709 IonicContact OD1-NZ 3.43Å; D706-K709 PolarHBondContact OD1-NZ 2.89Å; D706-K709 IonicContact OD2-NZ 2.84Å; D706-K709 PolarHBondContact OD2-NZ 3.01Å; D706-R710 WeakPolarHBondContact O-CG 3.24Å; D706-R710 PolarHBondContact O-N 2.92Å | ||
| 707 | S | 41.7 | Very low | 41.1 | Very low | 91 Ų | 91 | 101.7 Ų | 101.7 | 64% | 0.636 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -57.7 | -46.3 | -168.9 | 52 | 0 | 0 | 0 | 0 | 114.8 | K709 R710 S711 | S707-K709 VanDerWaalsContact C-N 3.29Å; S707-K709 PolarHBondContact O-N 2.93Å; S707-R710 PolarHBondContact O-N 2.84Å; S707-S711 PolarHBondContact O-N 2.8Å; S707-S711 VanDerWaalsContact O-N 3.16Å |
| 708 | D | 40.4 | Very low | 41.5 | Very low | 151 Ų | 151 | 102.6 Ų | 102.6 | 81% | 0.807 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -67.2 | -22.9 | -179.2 | -98.9 | -0.5 | 0 | 0 | 0 | 113.7 | D706 | D706-D708 PolarHBondContact O-N 3.18Å |
| 709 | K | 39.3 | Very low | 41.9 | Very low | 129 Ų | 129 | 95.1 Ų | 95.1 | 56% | 0.561 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -76.5 | -48.3 | 168.7 | -70.4 | -159.3 | -151.2 | 86.6 | 0 | 110.8 | D706 S707 S711 C712 E713 | D706-K709 PolarHBondContact O-N 2.78Å; D706-K709 WeakPolarHBondContact OD1-CB 3.47Å; D706-K709 VanDerWaalsContact OD1-CD 3.3Å; D706-K709 WeakPolarHBondContact OD1-CD 3.44Å; D706-K709 WeakPolarHBondContact OD1-CE 3.35Å; D706-K709 WeakPolarHBondContact OD1-CG 3.33Å; D706-K709 IonicContact OD1-NZ 3.43Å; D706-K709 PolarHBondContact OD1-NZ 2.89Å; D706-K709 IonicContact OD2-NZ 2.84Å; D706-K709 PolarHBondContact OD2-NZ 3.01Å; S707-K709 VanDerWaalsContact C-N 3.29Å; S707-K709 PolarHBondContact O-N 2.93Å; K709-S711 PolarHBondContact O-N 3.27Å; K709-C712 PolarHBondContact O-N 2.94Å; K709-E713 PolarHBondContact O-N 2.99Å |
| 710 | R | 38.2 | Very low | 42.2 | Very low | 99 Ų | 99 | 94.1 Ų | 94.1 | 37% | 0.374 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.1 | -43.6 | -171.4 | -67.7 | -179.6 | -161.6 | 173.5 | 14.7 | 112 | S703 D706 S707 C712 E713 E714 | S703-R710 PolarHBondContact OG-NH1 3.01Å; D706-R710 WeakPolarHBondContact O-CG 3.24Å; D706-R710 PolarHBondContact O-N 2.92Å; S707-R710 PolarHBondContact O-N 2.84Å; R710-C712 VanDerWaalsContact C-N 3.26Å; R710-C712 PolarHBondContact O-N 3.03Å; R710-C712 VanDerWaalsContact O-N 3.14Å; R710-E713 PolarHBondContact O-N 3.12Å; R710-E714 VanDerWaalsContact O-CB 3.3Å; R710-E714 WeakPolarHBondContact O-CB 3.3Å; R710-E714 VanDerWaalsContact O-CG 3.31Å; R710-E714 WeakPolarHBondContact O-CG 3.37Å; R710-E714 PolarHBondContact O-N 3.25Å |
| 711 | S | 41.8 | Very low | 42.6 | Very low | 66 Ų | 66 | 93 Ų | 93 | 46% | 0.462 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -54 | -38.1 | 178.8 | -178.6 | 0 | 0 | 0 | 0 | 114 | S707 K709 S715 | S707-S711 PolarHBondContact O-N 2.8Å; S707-S711 VanDerWaalsContact O-N 3.16Å; K709-S711 PolarHBondContact O-N 3.27Å; S711-S715 VanDerWaalsContact O-CB 3.29Å; S711-S715 WeakPolarHBondContact O-CB 3.42Å; S711-S715 PolarHBondContact O-N 3.19Å; S711-S715 VanDerWaalsContact O-N 3.13Å; S711-S715 PolarHBondContact O-OG 3.34Å |
| 712 | C | 37.7 | Very low | 43 | Very low | 85 Ų | 85 | 90.4 Ų | 90.4 | 57% | 0.574 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -75.4 | -42 | 176 | -74.2 | 0 | 0 | 0 | 0 | 113 | K709 R710 W716 | K709-C712 PolarHBondContact O-N 2.94Å; R710-C712 VanDerWaalsContact C-N 3.26Å; R710-C712 PolarHBondContact O-N 3.03Å; R710-C712 VanDerWaalsContact O-N 3.14Å; C712-W716 PolarHBondContact O-N 3.21Å; C712-W716 VanDerWaalsContact O-N 3.09Å |
| 713 | E | 41.1 | Very low | 42.9 | Very low | 121 Ų | 121 | 88.7 Ų | 88.7 | 57% | 0.565 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -70.6 | -34.8 | 177.3 | -77.2 | -156.7 | 127.9 | 0 | 0 | 112.9 | K709 R710 W716 R717 | K709-E713 PolarHBondContact O-N 2.99Å; R710-E713 PolarHBondContact O-N 3.12Å; E713-W716 CarbonylContact O-C 3.58Å; E713-W716 PolarHBondContact O-N 3.43Å; E713-R717 WeakPolarHBondContact O-CB 3.29Å; E713-R717 VanDerWaalsContact O-CG 3.29Å; E713-R717 WeakPolarHBondContact O-CG 3.22Å; E713-R717 PolarHBondContact O-N 3.48Å |
| 714 | E | 40.8 | Very low | 43.1 | Very low | 109 Ų | 109 | 93.6 Ų | 93.6 | 51% | 0.509 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -71.5 | -41.1 | 176.9 | -71.6 | 172.7 | 163.2 | 0 | 0 | 111.1 | R710 W716 R717 L718 | R710-E714 VanDerWaalsContact O-CB 3.3Å; R710-E714 WeakPolarHBondContact O-CB 3.3Å; R710-E714 VanDerWaalsContact O-CG 3.31Å; R710-E714 WeakPolarHBondContact O-CG 3.37Å; R710-E714 PolarHBondContact O-N 3.25Å; E714-W716 VanDerWaalsContact C-N 3.29Å; E714-W716 PolarHBondContact O-N 2.9Å; E714-R717 PolarHBondContact O-N 2.89Å; E714-L718 VanDerWaalsContact O-CB 3.25Å; E714-L718 WeakPolarHBondContact O-CB 3.34Å; E714-L718 PolarHBondContact O-N 2.87Å |
| 715 | S | 43.8 | Very low | 43.3 | Very low | 35 Ų | 35 | 97.3 Ų | 97.3 | 25% | 0.245 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -57.2 | -42.9 | 168.8 | -64.1 | 0 | 0 | 0 | 0 | 111.5 | S711 I719 | S711-S715 VanDerWaalsContact O-CB 3.29Å; S711-S715 WeakPolarHBondContact O-CB 3.42Å; S711-S715 PolarHBondContact O-N 3.19Å; S711-S715 VanDerWaalsContact O-N 3.13Å; S711-S715 PolarHBondContact O-OG 3.34Å; S715-I719 WeakPolarHBondContact O-CD1 3.31Å; S715-I719 VanDerWaalsContact O-CG1 3.26Å; S715-I719 WeakPolarHBondContact O-CG1 3.33Å; S715-I719 PolarHBondContact O-N 2.91Å |
| 716 | W | 43.3 | Very low | 43.4 | Very low | 77 Ų | 77 | 92.2 Ų | 92.2 | 29% | 0.292 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -73.5 | -35.9 | 178 | -168.9 | -100.6 | 0 | 0 | 0 | 113.4 | C712 E713 E714 I719 S720 K779 C782 | C712-W716 PolarHBondContact O-N 3.21Å; C712-W716 VanDerWaalsContact O-N 3.09Å; E713-W716 CarbonylContact O-C 3.58Å; E713-W716 PolarHBondContact O-N 3.43Å; E714-W716 VanDerWaalsContact C-N 3.29Å; E714-W716 PolarHBondContact O-N 2.9Å; W716-I719 HydrophobicContact CE3-CD1 4.38Å; W716-I719 PolarHBondContact O-N 3.04Å; W716-S720 PolarHBondContact NE1-OG 3.42Å; W716-S720 VanDerWaalsContact O-CB 3.27Å; W716-S720 WeakPolarHBondContact O-CB 3.5Å; W716-S720 PolarHBondContact O-N 2.85Å; W716-S720 PolarHBondContact O-OG 3.29Å; W716-K779 HydrophobicContact CD2-CG 4.45Å; W716-K779 HydrophobicContact CH2-CG 4.17Å; W716-K779 HydrophobicContact CZ2-CG 3.8Å; W716-C782 HydrophobicContact CH2-CB 4.33Å |
| 717 | R | 49.7 | Very low | 43.5 | Very low | 170 Ų | 170 | 94 Ų | 94 | 64% | 0.642 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -64.1 | -39.7 | 172 | -80.7 | 176.6 | 175.9 | 177.8 | 1.3 | 111.3 | E713 E714 S720 S721 | E713-R717 WeakPolarHBondContact O-CB 3.29Å; E713-R717 VanDerWaalsContact O-CG 3.29Å; E713-R717 WeakPolarHBondContact O-CG 3.22Å; E713-R717 PolarHBondContact O-N 3.48Å; E714-R717 PolarHBondContact O-N 2.89Å; R717-S720 PolarHBondContact O-N 3.4Å; R717-S721 WeakPolarHBondContact O-CB 3.39Å; R717-S721 PolarHBondContact O-N 2.91Å |
| 718 | L | 47 | Very low | 43.5 | Very low | 110 Ų | 110 | 91 Ų | 91 | 58% | 0.576 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -63.9 | -50.2 | 175.2 | -177.5 | 61.5 | 0 | 0 | 0 | 110.5 | E714 S720 S721 L722 | E714-L718 VanDerWaalsContact O-CB 3.25Å; E714-L718 WeakPolarHBondContact O-CB 3.34Å; E714-L718 PolarHBondContact O-N 2.87Å; L718-S720 VanDerWaalsContact C-N 3.29Å; L718-S720 PolarHBondContact O-N 2.85Å; L718-S721 PolarHBondContact O-N 3.06Å; L718-L722 HydrophobicContact CD1-CD1 4.17Å; L718-L722 HydrophobicContact CD1-CG 4.37Å; L718-L722 HydrophobicContact CG-CD1 3.99Å; L718-L722 WeakPolarHBondContact O-CB 3.45Å; L718-L722 WeakPolarHBondContact O-CG 3.39Å; L718-L722 PolarHBondContact O-N 2.91Å |
| 719 | I | 47.9 | Very low | 43.9 | Very low | 31 Ų | 31 | 88.9 Ų | 88.9 | 16% | 0.159 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -58.2 | -42.1 | 174.3 | -67 | 163.3 | 0 | 0 | 0 | 111.1 | S715 W716 L722 R723 L740 | S715-I719 WeakPolarHBondContact O-CD1 3.31Å; S715-I719 VanDerWaalsContact O-CG1 3.26Å; S715-I719 WeakPolarHBondContact O-CG1 3.33Å; S715-I719 PolarHBondContact O-N 2.91Å; W716-I719 HydrophobicContact CE3-CD1 4.38Å; W716-I719 PolarHBondContact O-N 3.04Å; I719-L722 PolarHBondContact O-N 2.87Å; I719-R723 WeakPolarHBondContact O-CB 3.45Å; I719-R723 PolarHBondContact O-N 2.79Å; I719-L740 HydrophobicContact CD1-CD2 3.95Å |
| 720 | S | 47.5 | Very low | 44.2 | Very low | 48 Ų | 48 | 89 Ų | 89 | 34% | 0.336 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -66.7 | -44.3 | 179.3 | -58.4 | 0 | 0 | 0 | 0 | 112.3 | W716 R717 L718 L722 R723 E724 | W716-S720 PolarHBondContact NE1-OG 3.42Å; W716-S720 VanDerWaalsContact O-CB 3.27Å; W716-S720 WeakPolarHBondContact O-CB 3.5Å; W716-S720 PolarHBondContact O-N 2.85Å; W716-S720 PolarHBondContact O-OG 3.29Å; R717-S720 PolarHBondContact O-N 3.4Å; L718-S720 VanDerWaalsContact C-N 3.29Å; L718-S720 PolarHBondContact O-N 2.85Å; S720-L722 VanDerWaalsContact C-N 3.3Å; S720-L722 PolarHBondContact O-N 2.84Å; S720-R723 WeakPolarHBondContact O-CB 3.44Å; S720-R723 PolarHBondContact O-N 3.04Å; S720-E724 PolarHBondContact O-N 3.4Å |
| 721 | S | 48.2 | Very low | 44.9 | Very low | 42 Ų | 42 | 84.8 Ų | 84.8 | 29% | 0.294 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -71.1 | -23.8 | 175.2 | 178.2 | 0 | 0 | 0 | 0 | 112.8 | R717 L718 K725 | R717-S721 WeakPolarHBondContact O-CB 3.39Å; R717-S721 PolarHBondContact O-N 2.91Å; L718-S721 PolarHBondContact O-N 3.06Å; S721-K725 WeakPolarHBondContact O-CB 3.5Å; S721-K725 WeakPolarHBondContact O-CD 3.29Å; S721-K725 WeakPolarHBondContact O-CG 3.25Å; S721-K725 WeakPolarHBondContact OG-CE 3.44Å; S721-K725 PolarHBondContact OG-NZ 3.06Å |
| 722 | L | 47.3 | Very low | 45 | Very low | 45 Ų | 45 | 83.5 Ų | 83.5 | 24% | 0.236 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -75.3 | -41.5 | 171.2 | -71.4 | 167.8 | 0 | 0 | 0 | 110.5 | L718 I719 S720 E724 K725 L726 V731 | L718-L722 HydrophobicContact CD1-CD1 4.17Å; L718-L722 HydrophobicContact CD1-CG 4.37Å; L718-L722 HydrophobicContact CG-CD1 3.99Å; L718-L722 WeakPolarHBondContact O-CB 3.45Å; L718-L722 WeakPolarHBondContact O-CG 3.39Å; L718-L722 PolarHBondContact O-N 2.91Å; I719-L722 PolarHBondContact O-N 2.87Å; S720-L722 VanDerWaalsContact C-N 3.3Å; S720-L722 PolarHBondContact O-N 2.84Å; L722-E724 VanDerWaalsContact C-N 3.28Å; L722-E724 PolarHBondContact O-N 3.32Å; L722-K725 PolarHBondContact O-N 3.42Å; L722-K725 VanDerWaalsContact O-N 3.11Å; L722-L726 HydrophobicContact CD2-CD1 3.76Å; L722-L726 WeakPolarHBondContact O-CB 3.2Å; L722-L726 PolarHBondContact O-N 3.06Å; L722-V731 HydrophobicContact CB-CG2 4.4Å |
| 723 | R | 40 | Very low | 45.5 | Very low | 121 Ų | 121 | 83 Ų | 83 | 46% | 0.457 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -58.4 | -36.9 | 172.5 | -178.2 | -171.9 | -172.9 | -90.3 | 7.6 | 112.5 | I719 S720 K725 T833 | I719-R723 WeakPolarHBondContact O-CB 3.45Å; I719-R723 PolarHBondContact O-N 2.79Å; S720-R723 WeakPolarHBondContact O-CB 3.44Å; S720-R723 PolarHBondContact O-N 3.04Å; R723-K725 VanDerWaalsContact C-N 3.32Å; R723-T833 PolarHBondContact NE-OG1 3.33Å; R723-T833 PolarHBondContact NH2-OG1 2.82Å |
| 724 | E | 45.4 | Very low | 46 | Very low | 154 Ų | 154 | 80.6 Ų | 80.6 | 72% | 0.72 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -22.8 | 176.8 | -171 | -178.7 | -116.1 | 0 | 0 | 113.3 | S720 L722 | S720-E724 PolarHBondContact O-N 3.4Å; L722-E724 VanDerWaalsContact C-N 3.28Å; L722-E724 PolarHBondContact O-N 3.32Å |
| 725 | K | 40.8 | Very low | 46.5 | Very low | 143 Ų | 143 | 76.4 Ų | 76.4 | 62% | 0.622 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.6 | -8.1 | -167.9 | -64.8 | 170.1 | -169.9 | 160.2 | 0 | 114.6 | S721 L722 R723 | S721-K725 WeakPolarHBondContact O-CB 3.5Å; S721-K725 WeakPolarHBondContact O-CD 3.29Å; S721-K725 WeakPolarHBondContact O-CG 3.25Å; S721-K725 WeakPolarHBondContact OG-CE 3.44Å; S721-K725 PolarHBondContact OG-NZ 3.06Å; L722-K725 PolarHBondContact O-N 3.42Å; L722-K725 VanDerWaalsContact O-N 3.11Å; R723-K725 VanDerWaalsContact C-N 3.32Å |
| 726 | L | 46.4 | Very low | 46.5 | Very low | 58 Ų | 58 | 80.2 Ų | 80.2 | 30% | 0.304 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -140.1 | 143.5 | -176.4 | -63 | 173.8 | 0 | 0 | 0 | 111.9 | L722 V731 I734 | L722-L726 HydrophobicContact CD2-CD1 3.76Å; L722-L726 WeakPolarHBondContact O-CB 3.2Å; L722-L726 PolarHBondContact O-N 3.06Å; L726-V731 HydrophobicContact CB-CG2 3.87Å; L726-I734 HydrophobicContact CD1-CD1 3.83Å |
| 727 | P | 44.5 | Very low | 46.5 | Very low | 89 Ų | 89 | 86.7 Ų | 86.7 | 58% | 0.578 | 42% | 0.419 | S | S | * | . | trans | -60.6 | 142.4 | 170.8 | -20.5 | 32.1 | 0 | 0 | 0 | 111.8 | N729 K730 V731 | P727-N729 PolarHBondContact O-N 2.99Å; P727-K730 WeakPolarHBondContact O-CB 3.17Å; P727-K730 PolarHBondContact O-N 2.81Å; P727-V731 PolarHBondContact O-N 2.81Å | ||
| 728 | A | 42.7 | Very low | 46.2 | Very low | 27 Ų | 27 | 83.6 Ų | 83.6 | 22% | 0.223 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -51.1 | -38.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | K730 V731 Q732 | A728-K730 PolarHBondContact O-N 2.81Å; A728-V731 CarbonylContact O-C 3.59Å; A728-V731 PolarHBondContact O-N 2.85Å; A728-Q732 PolarHBondContact O-N 3.08Å |
| 729 | N | 47.3 | Very low | 46 | Very low | 108 Ų | 108 | 80.4 Ų | 80.4 | 58% | 0.578 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -61.7 | -30.2 | 178.6 | -54.8 | 9.1 | 0 | 0 | 0 | 112.8 | P727 T733 | P727-N729 PolarHBondContact O-N 2.99Å; N729-T733 WeakPolarHBondContact O-CB 3.36Å; N729-T733 PolarHBondContact O-N 3.1Å; N729-T733 PolarHBondContact O-OG1 2.73Å |
| 730 | K | 47.1 | Very low | 45.9 | Very low | 132 Ų | 132 | 82.2 Ų | 82.2 | 57% | 0.574 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -78 | -38.2 | 172.3 | -73.9 | -167.8 | 174.4 | -174 | 0 | 111.7 | P727 A728 T733 I734 | P727-K730 WeakPolarHBondContact O-CB 3.17Å; P727-K730 PolarHBondContact O-N 2.81Å; A728-K730 PolarHBondContact O-N 2.81Å; K730-T733 PolarHBondContact O-N 2.82Å; K730-I734 WeakPolarHBondContact O-CG1 3.42Å; K730-I734 PolarHBondContact O-N 3.36Å |
| 731 | V | 51.5 | Low | 45.3 | Very low | 10 Ų | 10 | 84.8 Ų | 84.8 | 6% | 0.061 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -62.1 | -47.6 | 174.7 | -174.9 | 0 | 0 | 0 | 0 | 110.6 | L722 L726 P727 A728 T733 I734 V735 | L722-V731 HydrophobicContact CB-CG2 4.4Å; L726-V731 HydrophobicContact CB-CG2 3.87Å; P727-V731 PolarHBondContact O-N 2.81Å; A728-V731 CarbonylContact O-C 3.59Å; A728-V731 PolarHBondContact O-N 2.85Å; V731-T733 VanDerWaalsContact C-N 3.31Å; V731-T733 PolarHBondContact O-N 2.9Å; V731-I734 PolarHBondContact O-N 3.46Å; V731-V735 HydrophobicContact CG1-CG2 4.47Å; V731-V735 WeakPolarHBondContact O-CG2 3.29Å; V731-V735 PolarHBondContact O-N 3.32Å |
| 732 | Q | 44 | Very low | 44.8 | Very low | 38 Ų | 38 | 87.2 Ų | 87.2 | 18% | 0.178 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -49.3 | -50.3 | 168.5 | -82.2 | -172.6 | -15.9 | 0 | 0 | 111.9 | A728 I734 V735 K736 V834 G835 | A728-Q732 PolarHBondContact O-N 3.08Å; Q732-I734 PolarHBondContact O-N 2.73Å; Q732-V735 PolarHBondContact O-N 2.99Å; Q732-K736 VanDerWaalsContact O-CB 3.29Å; Q732-K736 WeakPolarHBondContact O-CB 3.38Å; Q732-K736 WeakPolarHBondContact O-CG 3.27Å; Q732-K736 PolarHBondContact O-N 2.93Å; Q732-V834 WeakPolarHBondContact CG-O 3.29Å; Q732-V834 PolarHBondContact NE2-O 3.13Å; Q732-G835 PolarHBondContact NE2-O 3.37Å |
| 733 | T | 49.1 | Very low | 44.2 | Very low | 74 Ų | 74 | 90.3 Ų | 90.3 | 45% | 0.454 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.4 | -39.5 | -175.2 | -60.9 | 0 | 0 | 0 | 0 | 111.8 | N729 K730 V731 R737 | N729-T733 WeakPolarHBondContact O-CB 3.36Å; N729-T733 PolarHBondContact O-N 3.1Å; N729-T733 PolarHBondContact O-OG1 2.73Å; K730-T733 PolarHBondContact O-N 2.82Å; V731-T733 VanDerWaalsContact C-N 3.31Å; V731-T733 PolarHBondContact O-N 2.9Å; T733-R737 WeakPolarHBondContact O-CB 3.37Å; T733-R737 PolarHBondContact O-N 2.82Å |
| 734 | I | 50.9 | Low | 44.1 | Very low | 71 Ų | 71 | 88.3 Ų | 88.3 | 36% | 0.364 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.5 | -51.1 | 175.4 | -67.8 | 162.8 | 0 | 0 | 0 | 109.8 | L726 K730 V731 Q732 K736 R737 C738 | L726-I734 HydrophobicContact CD1-CD1 3.83Å; K730-I734 WeakPolarHBondContact O-CG1 3.42Å; K730-I734 PolarHBondContact O-N 3.36Å; V731-I734 PolarHBondContact O-N 3.46Å; Q732-I734 PolarHBondContact O-N 2.73Å; I734-K736 VanDerWaalsContact C-N 3.35Å; I734-K736 PolarHBondContact O-N 3.46Å; I734-R737 PolarHBondContact O-N 2.88Å; I734-R737 VanDerWaalsContact O-N 3.11Å; I734-C738 WeakPolarHBondContact O-CB 3.19Å; I734-C738 PolarHBondContact O-N 2.79Å |
| 735 | V | 51.8 | Low | 43.5 | Very low | 22 Ų | 22 | 89.6 Ų | 89.6 | 13% | 0.133 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -64.9 | -36 | -179.1 | 179.7 | 0 | 0 | 0 | 0 | 112.1 | V731 Q732 G739 L740 F790 | V731-V735 HydrophobicContact CG1-CG2 4.47Å; V731-V735 WeakPolarHBondContact O-CG2 3.29Å; V731-V735 PolarHBondContact O-N 3.32Å; Q732-V735 PolarHBondContact O-N 2.99Å; V735-G739 VanDerWaalsContact O-CA 3.24Å; V735-G739 WeakPolarHBondContact O-CA 3.41Å; V735-G739 PolarHBondContact O-N 2.98Å; V735-L740 HydrophobicContact CG1-CD1 4.45Å; V735-L740 HydrophobicContact CG1-CD2 3.95Å; V735-L740 HydrophobicContact CG1-CG 3.87Å; V735-L740 HydrophobicContact CG2-CD2 4.49Å; V735-F790 HydrophobicContact CB-CZ 4.26Å; V735-F790 HydrophobicContact CG1-CE2 3.99Å; V735-F790 HydrophobicContact CG1-CZ 3.75Å |
| 736 | K | 44.9 | Very low | 43 | Very low | 115 Ų | 115 | 95 Ų | 95 | 50% | 0.5 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -69.8 | -27.9 | 173 | -80.8 | -175 | 170 | 178 | 0 | 114.2 | Q732 I734 D789 F790 | Q732-K736 VanDerWaalsContact O-CB 3.29Å; Q732-K736 WeakPolarHBondContact O-CB 3.38Å; Q732-K736 WeakPolarHBondContact O-CG 3.27Å; Q732-K736 PolarHBondContact O-N 2.93Å; I734-K736 VanDerWaalsContact C-N 3.35Å; I734-K736 PolarHBondContact O-N 3.46Å; K736-D789 WeakPolarHBondContact CE-O 3.24Å; K736-D789 PolarHBondContact NZ-O 3.22Å; K736-F790 HydrophobicContact CD-CD2 4.39Å; K736-F790 HydrophobicContact CG-CD2 3.97Å; K736-F790 HydrophobicContact CG-CE2 4.22Å |
| 737 | R | 41.9 | Very low | 42.3 | Very low | 213 Ų | 213 | 103.4 Ų | 103.4 | 80% | 0.804 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -91 | -28.3 | -178.1 | -174.8 | 176.5 | -78.4 | -171.7 | -5.2 | 112.9 | T733 I734 | T733-R737 WeakPolarHBondContact O-CB 3.37Å; T733-R737 PolarHBondContact O-N 2.82Å; I734-R737 PolarHBondContact O-N 2.88Å; I734-R737 VanDerWaalsContact O-N 3.11Å |
| 738 | C | 43.1 | Very low | 41.5 | Very low | 104 Ų | 104 | 108.1 Ų | 108.1 | 70% | 0.703 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -105.5 | -23.3 | -178.1 | -60.6 | 0 | 0 | 0 | 0 | 113.7 | I734 | I734-C738 WeakPolarHBondContact O-CB 3.19Å; I734-C738 PolarHBondContact O-N 2.79Å |
| 739 | G | 44.2 | Very low | 41.5 | Very low | 43 Ų | 43 | 112.9 Ų | 112.9 | 44% | 0.443 | 59% | 0.59 | S | S | . | * | trans | 75.8 | 174.1 | -169.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | V735 | V735-G739 VanDerWaalsContact O-CA 3.24Å; V735-G739 WeakPolarHBondContact O-CA 3.41Å; V735-G739 PolarHBondContact O-N 2.98Å | ||
| 740 | L | 45.2 | Very low | 40.5 | Very low | 69 Ų | 69 | 114.9 Ų | 114.9 | 36% | 0.361 | 60% | 0.6 | S | S | . | * | trans | -103.5 | 145 | 163.7 | -66.9 | 179.2 | 0 | 0 | 0 | 109.1 | I719 V735 S742 A786 | I719-L740 HydrophobicContact CD1-CD2 3.95Å; V735-L740 HydrophobicContact CG1-CD1 4.45Å; V735-L740 HydrophobicContact CG1-CD2 3.95Å; V735-L740 HydrophobicContact CG1-CG 3.87Å; V735-L740 HydrophobicContact CG2-CD2 4.49Å; L740-S742 PolarHBondContact O-N 3.43Å; L740-A786 HydrophobicContact CD1-CB 4.36Å | ||
| 741 | P | 35.3 | Very low | 39.8 | Very low | 103 Ų | 103 | 119.4 Ų | 119.4 | 67% | 0.669 | 61% | 0.613 | S | S | * | * | trans | -65.5 | 108.1 | 179.5 | 26.9 | -33.9 | 0 | 0 | 0 | 110.4 | ||||
| 742 | S | 36.5 | Very low | 38.9 | Very low | 93 Ų | 93 | 125.3 Ų | 125.3 | 65% | 0.65 | 65% | 0.649 | S | S | * | * | trans | -132 | 128.5 | 171.9 | -173.7 | 0 | 0 | 0 | 0 | 108.4 | L740 G744 | L740-S742 PolarHBondContact O-N 3.43Å; S742-G744 PolarHBondContact O-N 3.27Å | ||
| 743 | S | 35.2 | Very low | 38.2 | Very low | 109 Ų | 109 | 133 Ų | 133 | 76% | 0.762 | 68% | 0.678 | S | S | * | * | trans | -49.9 | 120.6 | -171.6 | -178.4 | 0 | 0 | 0 | 0 | 112.4 | K745 | S743-K745 PolarHBondContact O-N 2.98Š| ||
| 744 | G | 39.2 | Very low | 37.3 | Very low | 79 Ų | 79 | 137.8 Ų | 137.8 | 81% | 0.814 | 70% | 0.695 | S | S | * | * | trans | -70.4 | 84.7 | -171 | 0 | 0 | 0 | 0 | 0 | 114.2 | S742 | S742-G744 PolarHBondContact O-N 3.27Š| ||
| 745 | K | 31.5 | Very low | 36.5 | Very low | 181 Ų | 181 | 138.6 Ų | 138.6 | 79% | 0.787 | 70% | 0.699 | S | S | * | * | trans | -135.3 | 123.9 | 162.3 | -66.1 | -169.5 | 179 | -176.5 | 0 | 110.5 | S743 | S743-K745 PolarHBondContact O-N 2.98Š| ||
| 746 | R | 31.5 | Very low | 35.7 | Very low | 257 Ų | 257 | 142.1 Ų | 142.1 | 97% | 0.97 | 72% | 0.723 | S | S | * | * | trans | -56.5 | 140.6 | 167.6 | -77.1 | -177.3 | 172.8 | -179.5 | -1.2 | 109.2 | ||||
| 747 | R | 30.8 | Very low | 35.4 | Very low | 235 Ų | 235 | 145.1 Ų | 145.1 | 89% | 0.887 | 74% | 0.738 | S | S | * | * | trans | -119.4 | 140.6 | 169.3 | -71.9 | -174.5 | 172.4 | -165.2 | -3.6 | 109.7 | ||||
| 748 | E | 29 | Very low | 35.3 | Very low | 187 Ų | 187 | 147 Ų | 147 | 87% | 0.874 | 75% | 0.745 | S | S | * | * | trans | -77.6 | 155.8 | 175.7 | -65.6 | -166.4 | 148.5 | 0 | 0 | 111.9 | L750 | E748-L750 PolarHBondContact O-N 2.9Š| ||
| 749 | P | 41.3 | Very low | 35.3 | Very low | 127 Ų | 127 | 148.4 Ų | 148.4 | 83% | 0.825 | 74% | 0.736 | S | S | * | * | trans | -88.5 | 96.8 | -170 | 33.7 | -34.8 | 0 | 0 | 0 | 113.3 | ||||
| 750 | L | 27.3 | Very low | 35.5 | Very low | 150 Ų | 150 | 153.6 Ų | 153.6 | 79% | 0.785 | 74% | 0.742 | S | S | * | * | trans | -145.6 | 117.7 | 161.2 | -106.8 | 175.7 | 0 | 0 | 0 | 114.4 | E748 | E748-L750 PolarHBondContact O-N 2.9Š| ||
| 751 | R | 31 | Very low | 35.8 | Very low | 227 Ų | 227 | 152.4 Ų | 152.4 | 86% | 0.857 | 74% | 0.736 | S | S | * | * | S | Bend | trans | 38.4 | 121.9 | 150.7 | -72.9 | 176.8 | -177.4 | -172.7 | 0.2 | 121.2 | ||
| 752 | V | 32.9 | Very low | 36.4 | Very low | 135 Ų | 135 | 151.9 Ų | 151.9 | 82% | 0.818 | 74% | 0.735 | S | S | * | * | trans | 68.5 | 106.3 | 156.3 | -172.7 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 753 | Y | 28.9 | Very low | 37 | Very low | 200 Ų | 200 | 157.4 Ų | 157.4 | 78% | 0.784 | 75% | 0.747 | S | S | * | * | trans | -68.8 | 133.8 | 169.4 | -90.7 | -95.8 | 0 | 0 | 0 | 111.8 | ||||
| 754 | Q | 30.8 | Very low | 37.9 | Very low | 174 Ų | 174 | 155.2 Ų | 155.2 | 81% | 0.813 | 73% | 0.727 | S | S | * | * | trans | -118 | 133.7 | 149.4 | -73.3 | -169.7 | -6.5 | 0 | 0 | 108.6 | ||||
| 755 | I | 35.1 | Very low | 38.8 | Very low | 87 Ų | 87 | 154.7 Ų | 154.7 | 45% | 0.446 | 71% | 0.709 | S | S | . | * | trans | -76.9 | 129.3 | 179.1 | -59.5 | 174.3 | 0 | 0 | 0 | 108.8 | Q757 | I755-Q757 PolarHBondContact O-N 3.08Š| ||
| 756 | P | 33.2 | Very low | 39.9 | Very low | 96 Ų | 96 | 154.8 Ų | 154.8 | 62% | 0.623 | 71% | 0.71 | S | S | * | * | trans | -55.6 | 131.2 | 176.1 | -27.3 | 35.6 | 0 | 0 | 0 | 112.4 | R758 R759 | P756-R758 PolarHBondContact O-N 3.37Å; P756-R759 PolarHBondContact O-N 2.88Å | ||
| 757 | Q | 38.7 | Very low | 41.1 | Very low | 178 Ų | 178 | 152.5 Ų | 152.5 | 83% | 0.832 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.9 | -11.1 | -165 | -65.2 | -175.4 | -6 | 0 | 0 | 116.2 | I755 | I755-Q757 PolarHBondContact O-N 3.08Š|
| 758 | R | 39.8 | Very low | 42.9 | Very low | 252 Ų | 252 | 141.7 Ų | 141.7 | 95% | 0.951 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | -7.7 | -177.4 | -70.5 | -170.4 | 174.8 | -140.7 | 1 | 115.1 | P756 R760 | P756-R758 PolarHBondContact O-N 3.37Å; R758-R760 PolarHBondContact O-N 3.36Å |
| 759 | R | 43 | Very low | 45.3 | Very low | 134 Ų | 134 | 136 Ų | 136 | 51% | 0.506 | 64% | 0.639 | S | S | . | * | S | Bend | trans | -95.8 | 67.7 | 169.4 | -78.5 | -165.6 | -83.1 | -175.9 | -8.1 | 111.7 | P756 | P756-R759 PolarHBondContact O-N 2.88Š|
| 760 | R | 48.7 | Very low | 46.8 | Very low | 152 Ų | 152 | 132.3 Ų | 132.3 | 57% | 0.574 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -136.7 | 148.8 | 171.5 | -73.6 | -171.1 | 177.1 | -160.2 | -3.9 | 110.2 | R758 M811 | R758-R760 PolarHBondContact O-N 3.36Å; R760-M811 PolarHBondContact NH2-SD 3Å |
| 761 | I | 51.3 | Low | 49.1 | Very low | 44 Ų | 44 | 132 Ų | 132 | 23% | 0.226 | 61% | 0.606 | C | S | . | * | trans | -58.1 | 152.6 | 171.5 | -67.2 | 166.4 | 0 | 0 | 0 | 109.1 | V768 D772 L773 Q776 Y812 | I761-V768 HydrophobicContact CD1-CG1 4.11Å; I761-V768 HydrophobicContact CG2-CB 4.5Å; I761-V768 HydrophobicContact CG2-CG1 4.09Å; I761-V768 HydrophobicContact CG2-CG2 3.6Å; I761-D772 HydrophobicContact CD1-CB 4.13Å; I761-L773 HydrophobicContact CD1-CD2 4.17Å; I761-Q776 HydrophobicContact CD1-CB 3.98Å; I761-Q776 HydrophobicContact CD1-CG 4.25Å; I761-Y812 HydrophobicContact CB-CE1 4.16Å; I761-Y812 PolarHBondContact N-OH 3.39Å; I761-Y812 VanDerWaalsContact N-OH 3.11Å | ||
| 762 | S | 49.6 | Very low | 51.2 | Low | 93 Ų | 93 | 124.3 Ų | 124.3 | 65% | 0.65 | 58% | 0.582 | S | S | * | * | trans | -45 | 145.7 | -175.4 | -170.8 | 0 | 0 | 0 | 0 | 113.9 | D764 | S762-D764 PolarHBondContact O-N 3.42Š| ||
| 763 | K | 48 | Very low | 53.4 | Low | 209 Ų | 209 | 117.9 Ų | 117.9 | 91% | 0.909 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -64 | 7 | -170.4 | -70.7 | -175.1 | 175.1 | -179.8 | 0 | 116 | P765 | K763-P765 WeakPolarHBondContact O-CD 3.33Š|
| 764 | D | 54.8 | Low | 55.8 | Low | 63 Ų | 63 | 111.9 Ų | 111.9 | 34% | 0.337 | 52% | 0.519 | S | S | . | . | trans | -109.5 | 84.5 | -175.2 | -171.2 | 6.4 | 0 | 0 | 0 | 111 | S762 K766 R767 | S762-D764 PolarHBondContact O-N 3.42Å; D764-K766 PolarHBondContact O-N 3.13Å; D764-R767 PolarHBondContact O-N 3.02Å; D764-R767 IonicContact OD2-NH1 3.27Å | ||
| 765 | P | 57.1 | Low | 57.9 | Low | 67 Ų | 67 | 108.4 Ų | 108.4 | 44% | 0.435 | 50% | 0.504 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -12.3 | -170.8 | 26.1 | -36 | 0 | 0 | 0 | 114.1 | K763 R767 K814 | K763-P765 WeakPolarHBondContact O-CD 3.33Å; P765-R767 VanDerWaalsContact C-N 3.32Å; P765-K814 WeakPolarHBondContact O-CE 3.17Å; P765-K814 PolarHBondContact O-NZ 2.85Å |
| 766 | K | 54.9 | Low | 59.7 | Low | 184 Ų | 184 | 105.7 Ų | 105.7 | 80% | 0.8 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -36.3 | 173.3 | -68.6 | 179.7 | 178.1 | 177.4 | 0 | 111.7 | D764 K814 | D764-K766 PolarHBondContact O-N 3.13Å; K766-K814 PolarHBondContact O-NZ 3.16Å |
| 767 | R | 57.8 | Low | 62 | Low | 209 Ų | 209 | 101.1 Ų | 101.1 | 79% | 0.789 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -89.6 | -9.6 | -171.2 | -83.1 | 178.4 | 155 | 146.8 | -10.6 | 116.4 | D764 P765 | D764-R767 PolarHBondContact O-N 3.02Å; D764-R767 IonicContact OD2-NH1 3.27Å; P765-R767 VanDerWaalsContact C-N 3.32Å |
| 768 | V | 66.9 | Low | 63.8 | Low | 7 Ų | 7 | 93.3 Ų | 93.3 | 4% | 0.042 | 42% | 0.424 | C | S | . | . | trans | -79.3 | 130.6 | -178.1 | -168.6 | 0 | 0 | 0 | 0 | 111.2 | I761 D772 L773 Y812 K814 | I761-V768 HydrophobicContact CD1-CG1 4.11Å; I761-V768 HydrophobicContact CG2-CB 4.5Å; I761-V768 HydrophobicContact CG2-CG1 4.09Å; I761-V768 HydrophobicContact CG2-CG2 3.6Å; V768-D772 HydrophobicContact CG1-CB 3.85Å; V768-L773 HydrophobicContact CG1-CD2 3.71Å; V768-L773 HydrophobicContact CG1-CG 4.02Å; V768-Y812 HydrophobicContact CG2-CD1 4.13Å; V768-K814 WeakPolarHBondContact O-CE 3.49Å; V768-K814 PolarHBondContact O-NZ 2.77Å | ||
| 769 | T | 79.7 | Confident | 65.1 | Low | 69 Ų | 69 | 84.9 Ų | 84.9 | 42% | 0.423 | 39% | 0.394 | S | S | . | . | trans | -90.9 | 168 | 175.6 | 73.5 | 0 | 0 | 0 | 0 | 112 | E771 D772 L773 | T769-E771 PolarHBondContact O-N 3.31Å; T769-E771 PolarHBondContact OG1-N 2.82Å; T769-D772 WeakPolarHBondContact CA-OD2 3.39Å; T769-D772 VanDerWaalsContact CB-OD2 3.28Å; T769-D772 WeakPolarHBondContact CB-OD2 3.38Å; T769-D772 WeakPolarHBondContact CG2-OD2 3.49Å; T769-D772 PolarHBondContact N-OD2 2.88Å; T769-D772 PolarHBondContact OG1-N 3.21Å; T769-D772 VanDerWaalsContact OG1-N 3.11Å; T769-D772 PolarHBondContact OG1-OD2 2.88Å; T769-L773 WeakPolarHBondContact O-CG 3.36Å; T769-L773 PolarHBondContact O-N 3.13Å | ||
| 770 | M | 74.2 | Confident | 66.6 | Low | 49 Ų | 49 | 80.2 Ų | 80.2 | 24% | 0.241 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -66.1 | -26.3 | 172 | -78 | -59.8 | -52.8 | 0 | 0 | 112.8 | L773 R774 M805 K814 D816 | M770-L773 PolarHBondContact O-N 3.02Å; M770-L773 HydrophobicContact SD-CD1 4.3Å; M770-R774 WeakPolarHBondContact O-CG 3.36Å; M770-R774 PolarHBondContact O-N 3.1Å; M770-M805 HydrophobicContact CE-CE 3.54Å; M770-K814 HydrophobicContact SD-CB 4.03Å; M770-D816 HydrophobicContact CE-CB 3.64Å; M770-D816 VanDerWaalsContact CE-OD2 3.3Å; M770-D816 WeakPolarHBondContact CE-OD2 3.46Å; M770-D816 HydrophobicContact SD-CB 4.34Å |
| 771 | E | 74.1 | Confident | 68 | Low | 142 Ų | 142 | 73 Ų | 73 | 66% | 0.664 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -77.1 | -37.6 | -179.7 | -167 | 154.5 | -144.2 | 0 | 0 | 111.5 | T769 L773 R774 M775 | T769-E771 PolarHBondContact O-N 3.31Å; T769-E771 PolarHBondContact OG1-N 2.82Å; E771-L773 VanDerWaalsContact C-N 3.29Å; E771-L773 PolarHBondContact O-N 2.94Å; E771-R774 PolarHBondContact O-N 3.34Å; E771-M775 WeakPolarHBondContact O-CB 3.47Å; E771-M775 PolarHBondContact O-N 3.49Å |
| 772 | D | 74.9 | Confident | 68.9 | Low | 66 Ų | 66 | 71.4 Ų | 71.4 | 35% | 0.353 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -57.5 | -42.6 | 168.7 | -59.4 | -58.6 | 0 | 0 | 0 | 111.5 | I761 V768 T769 M775 Q776 | I761-D772 HydrophobicContact CD1-CB 4.13Å; V768-D772 HydrophobicContact CG1-CB 3.85Å; T769-D772 WeakPolarHBondContact CA-OD2 3.39Å; T769-D772 VanDerWaalsContact CB-OD2 3.28Å; T769-D772 WeakPolarHBondContact CB-OD2 3.38Å; T769-D772 WeakPolarHBondContact CG2-OD2 3.49Å; T769-D772 PolarHBondContact N-OD2 2.88Å; T769-D772 PolarHBondContact OG1-N 3.21Å; T769-D772 VanDerWaalsContact OG1-N 3.11Å; T769-D772 PolarHBondContact OG1-OD2 2.88Å; D772-M775 PolarHBondContact O-N 2.91Å; D772-Q776 VanDerWaalsContact O-CB 3.29Å; D772-Q776 WeakPolarHBondContact O-CB 3.43Å; D772-Q776 PolarHBondContact O-N 2.72Å |
| 773 | L | 80.4 | Confident | 69.5 | Low | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -67.9 | -39.3 | 177.9 | -62.4 | -176.4 | 0 | 0 | 0 | 112.2 | I761 V768 T769 M770 E771 Q776 A777 M805 L808 Y812 K814 | I761-L773 HydrophobicContact CD1-CD2 4.17Å; V768-L773 HydrophobicContact CG1-CD2 3.71Å; V768-L773 HydrophobicContact CG1-CG 4.02Å; T769-L773 WeakPolarHBondContact O-CG 3.36Å; T769-L773 PolarHBondContact O-N 3.13Å; M770-L773 PolarHBondContact O-N 3.02Å; M770-L773 HydrophobicContact SD-CD1 4.3Å; E771-L773 VanDerWaalsContact C-N 3.29Å; E771-L773 PolarHBondContact O-N 2.94Å; L773-Q776 PolarHBondContact O-N 2.68Å; L773-A777 WeakPolarHBondContact O-CB 3.21Å; L773-A777 PolarHBondContact O-N 3.29Å; L773-M805 HydrophobicContact CB-CE 3.73Å; L773-L808 HydrophobicContact CD2-CB 4.32Å; L773-Y812 HydrophobicContact CD2-CD2 3.4Å; L773-Y812 VanDerWaalsContact CD2-CD2 3.4Å; L773-Y812 HydrophobicContact CD2-CE2 3.88Å; L773-Y812 HydrophobicContact CD2-CG 3.99Å; L773-K814 HydrophobicContact CD1-CB 4.02Å; L773-K814 HydrophobicContact CD1-CG 4.05Å |
| 774 | R | 79.9 | Confident | 70.6 | Confident | 75 Ų | 75 | 65.2 Ų | 65.2 | 28% | 0.283 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.7 | -48 | 172.9 | -73.1 | 174.4 | -178.3 | -179.3 | -3.2 | 110.9 | M770 E771 Q776 A777 V778 M805 S822 V826 | M770-R774 WeakPolarHBondContact O-CG 3.36Å; M770-R774 PolarHBondContact O-N 3.1Å; E771-R774 PolarHBondContact O-N 3.34Å; R774-Q776 VanDerWaalsContact C-N 3.32Å; R774-Q776 PolarHBondContact O-N 3.14Å; R774-A777 WeakPolarHBondContact O-CB 3.42Å; R774-A777 PolarHBondContact O-N 3.3Å; R774-A777 VanDerWaalsContact O-N 3.11Å; R774-V778 WeakPolarHBondContact O-CG2 3.27Å; R774-V778 PolarHBondContact O-N 2.7Å; R774-M805 HydrophobicContact CB-CE 4.5Å; R774-M805 HydrophobicContact CB-SD 4.42Å; R774-M805 HydrophobicContact CG-CE 3.69Å; R774-M805 HydrophobicContact CG-SD 3.83Å; R774-S822 PolarHBondContact NE-OG 3.44Å; R774-S822 VanDerWaalsContact NE-OG 3.12Å; R774-S822 PolarHBondContact NH2-OG 3.49Å; R774-V826 HydrophobicContact CB-CG2 3.77Å; R774-V826 HydrophobicContact CG-CG2 3.92Å |
| 775 | M | 74.2 | Confident | 71.3 | Confident | 100 Ų | 100 | 62.2 Ų | 62.2 | 49% | 0.493 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.4 | -36.1 | 179.8 | -166 | -172.1 | -61.8 | 0 | 0 | 112.2 | E771 D772 K779 | E771-M775 WeakPolarHBondContact O-CB 3.47Å; E771-M775 PolarHBondContact O-N 3.49Å; D772-M775 PolarHBondContact O-N 2.91Å; M775-K779 HydrophobicContact CG-CD 4.49Å; M775-K779 WeakPolarHBondContact O-CB 3.39Å; M775-K779 VanDerWaalsContact O-CG 3.3Å; M775-K779 WeakPolarHBondContact O-CG 3.18Å; M775-K779 PolarHBondContact O-N 3.32Å |
| 776 | Q | 73.1 | Confident | 71.5 | Confident | 30 Ų | 30 | 60.1 Ų | 60.1 | 14% | 0.14 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.7 | -40.7 | 172 | -177.9 | 64.8 | 20 | 0 | 0 | 111.8 | I761 D772 L773 R774 K779 E780 L808 | I761-Q776 HydrophobicContact CD1-CB 3.98Å; I761-Q776 HydrophobicContact CD1-CG 4.25Å; D772-Q776 VanDerWaalsContact O-CB 3.29Å; D772-Q776 WeakPolarHBondContact O-CB 3.43Å; D772-Q776 PolarHBondContact O-N 2.72Å; L773-Q776 PolarHBondContact O-N 2.68Å; R774-Q776 VanDerWaalsContact C-N 3.32Å; R774-Q776 PolarHBondContact O-N 3.14Å; Q776-K779 PolarHBondContact O-N 3.45Å; Q776-E780 PolarHBondContact NE2-OE1 3.09Å; Q776-E780 PolarHBondContact O-N 2.89Å; Q776-L808 HydrophobicContact CB-CD1 4.2Å; Q776-L808 HydrophobicContact CG-CD1 4.02Å; Q776-L808 HydrophobicContact CG-CD2 3.97Å |
| 777 | A | 80.2 | Confident | 71.7 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.2 | -48.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L773 R774 K779 E780 I781 K804 M805 L808 V826 | L773-A777 WeakPolarHBondContact O-CB 3.21Å; L773-A777 PolarHBondContact O-N 3.29Å; R774-A777 WeakPolarHBondContact O-CB 3.42Å; R774-A777 PolarHBondContact O-N 3.3Å; R774-A777 VanDerWaalsContact O-N 3.11Å; A777-K779 VanDerWaalsContact C-N 3.34Å; A777-K779 PolarHBondContact O-N 3.43Å; A777-E780 PolarHBondContact O-N 3.07Å; A777-I781 HydrophobicContact CB-CD1 4.37Å; A777-I781 WeakPolarHBondContact O-CB 3.28Å; A777-I781 VanDerWaalsContact O-CD1 3.28Å; A777-I781 WeakPolarHBondContact O-CD1 3.47Å; A777-I781 WeakPolarHBondContact O-CG1 3.16Å; A777-I781 PolarHBondContact O-N 3.37Å; A777-K804 HydrophobicContact CB-CB 4.42Å; A777-M805 HydrophobicContact CB-SD 4.23Å; A777-L808 HydrophobicContact CB-CD1 3.79Å; A777-V826 HydrophobicContact CB-CG1 3.72Å; A777-V826 HydrophobicContact CB-CG2 4.07Å |
| 778 | V | 77.3 | Confident | 71.5 | Confident | 15 Ų | 15 | 47.8 Ų | 47.8 | 9% | 0.091 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -55.8 | -47.9 | 175.2 | 175.1 | 0 | 0 | 0 | 0 | 110.8 | R774 E780 I781 C782 V826 D829 V830 | R774-V778 WeakPolarHBondContact O-CG2 3.27Å; R774-V778 PolarHBondContact O-N 2.7Å; V778-E780 PolarHBondContact O-N 3.3Å; V778-I781 PolarHBondContact O-N 2.87Å; V778-C782 VanDerWaalsContact O-CB 3.27Å; V778-C782 WeakPolarHBondContact O-CB 3.33Å; V778-C782 PolarHBondContact O-N 2.97Å; V778-C782 PolarHBondContact O-SG 2.94Å; V778-C782 VanDerWaalsContact O-SG 3.37Å; V778-V826 HydrophobicContact CG2-CB 4.2Å; V778-V826 HydrophobicContact CG2-CG1 3.91Å; V778-V826 HydrophobicContact CG2-CG2 4.2Å; V778-D829 HydrophobicContact CG1-CB 4.41Å; V778-D829 HydrophobicContact CG2-CB 3.82Å; V778-V830 HydrophobicContact CB-CG2 4.24Å; V778-V830 HydrophobicContact CG1-CG2 4.01Å; V778-V830 HydrophobicContact CG2-CG2 4.27Å |
| 779 | K | 67.8 | Low | 70.9 | Confident | 74 Ų | 74 | 51.5 Ų | 51.5 | 32% | 0.322 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60.1 | -45.8 | 178.4 | -75.7 | 168.3 | -180 | 172.3 | 0 | 112.8 | W716 M775 Q776 A777 Y783 | W716-K779 HydrophobicContact CD2-CG 4.45Å; W716-K779 HydrophobicContact CH2-CG 4.17Å; W716-K779 HydrophobicContact CZ2-CG 3.8Å; M775-K779 HydrophobicContact CG-CD 4.49Å; M775-K779 WeakPolarHBondContact O-CB 3.39Å; M775-K779 VanDerWaalsContact O-CG 3.3Å; M775-K779 WeakPolarHBondContact O-CG 3.18Å; M775-K779 PolarHBondContact O-N 3.32Å; Q776-K779 PolarHBondContact O-N 3.45Å; A777-K779 VanDerWaalsContact C-N 3.34Å; A777-K779 PolarHBondContact O-N 3.43Å; K779-Y783 WeakPolarHBondContact O-CB 3.35Å; K779-Y783 PolarHBondContact O-N 2.93Å |
| 780 | E | 74.3 | Confident | 70.2 | Confident | 37 Ų | 37 | 49.7 Ų | 49.7 | 17% | 0.173 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.8 | -43.3 | 178.8 | -75 | -176.8 | -143.2 | 0 | 0 | 112.2 | Q776 A777 V778 Y783 E784 K804 | Q776-E780 PolarHBondContact NE2-OE1 3.09Å; Q776-E780 PolarHBondContact O-N 2.89Å; A777-E780 PolarHBondContact O-N 3.07Å; V778-E780 PolarHBondContact O-N 3.3Å; E780-Y783 WeakPolarHBondContact O-CB 3.19Å; E780-Y783 PolarHBondContact O-N 3.49Å; E780-E784 PolarHBondContact O-N 3.28Å; E780-E784 VanDerWaalsContact O-N 3.07Å; E780-K804 HydrophobicContact CB-CD 4.35Å; E780-K804 WeakPolarHBondContact OE2-CD 3.35Å; E780-K804 WeakPolarHBondContact OE2-CE 3.42Å; E780-K804 IonicContact OE2-NZ 3.31Å; E780-K804 PolarHBondContact OE2-NZ 3.25Å |
| 781 | I | 77.7 | Confident | 69.4 | Low | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -72.9 | -42.5 | -177.4 | -58.1 | 158.1 | 0 | 0 | 0 | 111.2 | A777 V778 Y783 E784 V785 L800 K804 V826 V830 | A777-I781 HydrophobicContact CB-CD1 4.37Å; A777-I781 WeakPolarHBondContact O-CB 3.28Å; A777-I781 VanDerWaalsContact O-CD1 3.28Å; A777-I781 WeakPolarHBondContact O-CD1 3.47Å; A777-I781 WeakPolarHBondContact O-CG1 3.16Å; A777-I781 PolarHBondContact O-N 3.37Å; V778-I781 PolarHBondContact O-N 2.87Å; I781-Y783 PolarHBondContact O-N 2.98Å; I781-E784 PolarHBondContact O-N 3.11Å; I781-V785 HydrophobicContact CG2-CG2 4.19Å; I781-V785 VanDerWaalsContact O-CG2 3.31Å; I781-V785 WeakPolarHBondContact O-CG2 3.34Å; I781-V785 PolarHBondContact O-N 3.29Å; I781-L800 HydrophobicContact CG1-CB 4.38Å; I781-L800 HydrophobicContact CG2-CB 4Å; I781-L800 HydrophobicContact CG2-CD1 4.22Å; I781-K804 HydrophobicContact CD1-CB 4.03Å; I781-K804 HydrophobicContact CD1-CG 4.38Å; I781-K804 HydrophobicContact CG1-CB 4.14Å; I781-K804 HydrophobicContact CG1-CG 3.94Å; I781-V826 HydrophobicContact CD1-CG1 3.63Å; I781-V830 HydrophobicContact CB-CG2 3.98Å; I781-V830 HydrophobicContact CD1-CG2 4.46Å; I781-V830 HydrophobicContact CG2-CG1 3.94Å; I781-V830 HydrophobicContact CG2-CG2 4.05Å |
| 782 | C | 69.8 | Low | 69.3 | Low | 11 Ų | 11 | 52 Ų | 52 | 7% | 0.074 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -57.4 | -34.3 | 172.6 | -76.4 | 0 | 0 | 0 | 0 | 111.8 | W716 V778 A786 | W716-C782 HydrophobicContact CH2-CB 4.33Å; V778-C782 VanDerWaalsContact O-CB 3.27Å; V778-C782 WeakPolarHBondContact O-CB 3.33Å; V778-C782 PolarHBondContact O-N 2.97Å; V778-C782 PolarHBondContact O-SG 2.94Å; V778-C782 VanDerWaalsContact O-SG 3.37Å; C782-A786 WeakPolarHBondContact O-CB 3.46Å; C782-A786 PolarHBondContact O-N 3.24Å |
| 783 | Y | 61.5 | Low | 69.3 | Low | 87 Ų | 87 | 51 Ų | 51 | 34% | 0.341 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -70.6 | -43 | 176.7 | -157.8 | -94.5 | 0 | 0 | 0 | 112.1 | K779 E780 I781 A786 L787 | K779-Y783 WeakPolarHBondContact O-CB 3.35Å; K779-Y783 PolarHBondContact O-N 2.93Å; E780-Y783 WeakPolarHBondContact O-CB 3.19Å; E780-Y783 PolarHBondContact O-N 3.49Å; I781-Y783 PolarHBondContact O-N 2.98Å; Y783-A786 PolarHBondContact O-N 3.4Å; Y783-L787 HydrophobicContact CD1-CD1 3.73Å; Y783-L787 HydrophobicContact CD1-CG 4.23Å; Y783-L787 HydrophobicContact CE1-CD1 3.77Å; Y783-L787 HydrophobicContact CE1-CG 4.22Å; Y783-L787 VanDerWaalsContact O-CG 3.29Å; Y783-L787 WeakPolarHBondContact O-CG 3.19Å; Y783-L787 PolarHBondContact O-N 2.94Å |
| 784 | E | 71 | Confident | 69 | Low | 85 Ų | 85 | 56 Ų | 56 | 40% | 0.397 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65.4 | -38.3 | 172.5 | -68.6 | -152 | 140.1 | 0 | 0 | 112.6 | E780 I781 A786 L787 G788 | E780-E784 PolarHBondContact O-N 3.28Å; E780-E784 VanDerWaalsContact O-N 3.07Å; I781-E784 PolarHBondContact O-N 3.11Å; E784-A786 VanDerWaalsContact C-N 3.35Å; E784-A786 PolarHBondContact O-N 3.38Å; E784-L787 PolarHBondContact O-N 2.93Å; E784-G788 PolarHBondContact O-N 3.48Å |
| 785 | V | 70.6 | Confident | 68.7 | Low | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.6 | -38.2 | 176.9 | 175.4 | 0 | 0 | 0 | 0 | 111.7 | I781 G788 F790 H792 I797 V834 | I781-V785 HydrophobicContact CG2-CG2 4.19Å; I781-V785 VanDerWaalsContact O-CG2 3.31Å; I781-V785 WeakPolarHBondContact O-CG2 3.34Å; I781-V785 PolarHBondContact O-N 3.29Å; V785-G788 CarbonylContact O-C 3.25Å; V785-G788 PolarHBondContact O-N 3.04Å; V785-F790 HydrophobicContact CG1-CD1 4.19Å; V785-F790 WeakPolarHBondContact O-CA 3.35Å; V785-F790 PolarHBondContact O-N 3.21Å; V785-H792 HydrophobicContact CG1-CB 4.43Å; V785-H792 HydrophobicContact CG2-CB 4.17Å; V785-I797 HydrophobicContact CG2-CD1 4.3Å; V785-I797 HydrophobicContact CG2-CG1 3.97Å; V785-V834 HydrophobicContact CB-CG1 4.35Å; V785-V834 HydrophobicContact CG1-CB 4.21Å; V785-V834 HydrophobicContact CG1-CG1 4Å; V785-V834 HydrophobicContact CG1-CG2 4.2Å |
| 786 | A | 61.5 | Low | 68.8 | Low | 23 Ų | 23 | 59.8 Ų | 59.8 | 19% | 0.19 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -68 | -40.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L740 C782 Y783 E784 G788 D789 F790 | L740-A786 HydrophobicContact CD1-CB 4.36Å; C782-A786 WeakPolarHBondContact O-CB 3.46Å; C782-A786 PolarHBondContact O-N 3.24Å; Y783-A786 PolarHBondContact O-N 3.4Å; E784-A786 VanDerWaalsContact C-N 3.35Å; E784-A786 PolarHBondContact O-N 3.38Å; A786-G788 PolarHBondContact O-N 2.95Å; A786-D789 PolarHBondContact O-N 3.31Å; A786-F790 HydrophobicContact CB-CE1 4.2Å; A786-F790 HydrophobicContact CB-CE2 4.17Å; A786-F790 HydrophobicContact CB-CZ 3.74Å |
| 787 | L | 58.6 | Low | 69.1 | Low | 107 Ų | 107 | 58.3 Ų | 58.3 | 56% | 0.56 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -64.1 | -27.1 | 173 | -72.7 | 171.8 | 0 | 0 | 0 | 112.7 | Y783 E784 | Y783-L787 HydrophobicContact CD1-CD1 3.73Å; Y783-L787 HydrophobicContact CD1-CG 4.23Å; Y783-L787 HydrophobicContact CE1-CD1 3.77Å; Y783-L787 HydrophobicContact CE1-CG 4.22Å; Y783-L787 VanDerWaalsContact O-CG 3.29Å; Y783-L787 WeakPolarHBondContact O-CG 3.19Å; Y783-L787 PolarHBondContact O-N 2.94Å; E784-L787 PolarHBondContact O-N 2.93Å |
| 788 | G | 52.8 | Low | 69.2 | Low | 26 Ų | 26 | 60.7 Ų | 60.7 | 27% | 0.268 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | 32.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | E784 V785 A786 F790 R791 | E784-G788 PolarHBondContact O-N 3.48Å; V785-G788 CarbonylContact O-C 3.25Å; V785-G788 PolarHBondContact O-N 3.04Å; A786-G788 PolarHBondContact O-N 2.95Å; G788-F790 PolarHBondContact O-N 2.92Å; G788-R791 WeakPolarHBondContact O-CB 3.41Å; G788-R791 PolarHBondContact O-N 3.25Å |
| 789 | D | 55.2 | Low | 69.2 | Low | 86 Ų | 86 | 62.3 Ų | 62.3 | 46% | 0.46 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | 21.2 | 178.3 | -83.6 | -10.5 | 0 | 0 | 0 | 114.6 | K736 A786 R791 | K736-D789 WeakPolarHBondContact CE-O 3.24Å; K736-D789 PolarHBondContact NZ-O 3.22Å; A786-D789 PolarHBondContact O-N 3.31Å; D789-R791 HydrophobicContact CB-CG 3.81Å; D789-R791 PolarHBondContact O-N 3.03Å; D789-R791 IonicContact OD2-CZ 2.77Å; D789-R791 IonicContact OD2-NE 2.71Å; D789-R791 PolarHBondContact OD2-NE 3.13Å; D789-R791 IonicContact OD2-NH2 3.21Å; D789-R791 PolarHBondContact OD2-NH2 2.98Å |
| 790 | F | 64.4 | Low | 69.8 | Low | 31 Ų | 31 | 60.8 Ų | 60.8 | 14% | 0.136 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.1 | 40.7 | -170.2 | -49.8 | -102.7 | 0 | 0 | 0 | 112.8 | V735 K736 V785 A786 G788 V834 | V735-F790 HydrophobicContact CB-CZ 4.26Å; V735-F790 HydrophobicContact CG1-CE2 3.99Å; V735-F790 HydrophobicContact CG1-CZ 3.75Å; K736-F790 HydrophobicContact CD-CD2 4.39Å; K736-F790 HydrophobicContact CG-CD2 3.97Å; K736-F790 HydrophobicContact CG-CE2 4.22Å; V785-F790 HydrophobicContact CG1-CD1 4.19Å; V785-F790 WeakPolarHBondContact O-CA 3.35Å; V785-F790 PolarHBondContact O-N 3.21Å; A786-F790 HydrophobicContact CB-CE1 4.2Å; A786-F790 HydrophobicContact CB-CE2 4.17Å; A786-F790 HydrophobicContact CB-CZ 3.74Å; G788-F790 PolarHBondContact O-N 2.92Å; F790-V834 HydrophobicContact CD1-CB 4.14Å; F790-V834 HydrophobicContact CD1-CG1 4.45Å; F790-V834 HydrophobicContact CE1-CB 4.5Å; F790-V834 HydrophobicContact CE1-CG1 4.48Å |
| 791 | R | 57.2 | Low | 70.2 | Confident | 194 Ų | 194 | 59 Ų | 59 | 73% | 0.732 | 29% | 0.292 | S | S | * | . | trans | -94.2 | -10.5 | 178.4 | -60.3 | -176.8 | -165.2 | -141.4 | 7.1 | 114.4 | G788 D789 S793 | G788-R791 WeakPolarHBondContact O-CB 3.41Å; G788-R791 PolarHBondContact O-N 3.25Å; D789-R791 HydrophobicContact CB-CG 3.81Å; D789-R791 PolarHBondContact O-N 3.03Å; D789-R791 IonicContact OD2-CZ 2.77Å; D789-R791 IonicContact OD2-NE 2.71Å; D789-R791 PolarHBondContact OD2-NE 3.13Å; D789-R791 IonicContact OD2-NH2 3.21Å; D789-R791 PolarHBondContact OD2-NH2 2.98Å; R791-S793 PolarHBondContact O-N 3.36Å | ||
| 792 | H | 73.3 | Confident | 70.4 | Confident | 46 Ų | 46 | 61.8 Ų | 61.8 | 21% | 0.213 | 31% | 0.306 | C | S | . | . | trans | -65.2 | 128 | -178.6 | -63.2 | 94.2 | 0 | 0 | 0 | 111.3 | V785 E796 I797 I836 | V785-H792 HydrophobicContact CG1-CB 4.43Å; V785-H792 HydrophobicContact CG2-CB 4.17Å; H792-E796 HydrophobicContact CB-CB 4.42Å; H792-I797 HydrophobicContact CB-CD1 4.46Å; H792-I797 HydrophobicContact CB-CG1 4.14Å; H792-I836 WeakPolarHBondContact O-CD1 3.47Å | ||
| 793 | S | 75.5 | Confident | 71 | Confident | 45 Ų | 45 | 65.8 Ų | 65.8 | 32% | 0.315 | 33% | 0.33 | S | S | . | . | trans | -67.9 | 161.2 | 172.5 | 66.6 | 0 | 0 | 0 | 0 | 111.9 | R791 Q795 E796 I797 | R791-S793 PolarHBondContact O-N 3.36Å; S793-Q795 PolarHBondContact O-N 3.23Å; S793-E796 VanDerWaalsContact CB-OE2 3.25Å; S793-E796 WeakPolarHBondContact CB-OE2 3.45Å; S793-E796 PolarHBondContact N-OE2 2.76Å; S793-E796 PolarHBondContact O-N 3Å; S793-E796 VanDerWaalsContact O-N 3.1Å; S793-E796 WeakPolarHBondContact OG-CG 3.21Å; S793-E796 PolarHBondContact OG-N 2.71Å; S793-E796 PolarHBondContact OG-OE2 2.81Å; S793-I797 PolarHBondContact O-N 3.35Å | ||
| 794 | R | 73.4 | Confident | 72 | Confident | 103 Ų | 103 | 62.7 Ų | 62.7 | 39% | 0.389 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -52.4 | -36.9 | 171.6 | 178 | 174.8 | -178 | 130 | 18.6 | 112.5 | I797 E798 | R794-I797 PolarHBondContact O-N 3.24Å; R794-E798 WeakPolarHBondContact CG-OE1 3.24Å; R794-E798 IonicContact CZ-OE1 3.04Å; R794-E798 IonicContact NE-OE1 3.31Å; R794-E798 PolarHBondContact NE-OE1 3.18Å; R794-E798 IonicContact NH2-OE1 2.76Å; R794-E798 WeakPolarHBondContact O-CB 3.3Å; R794-E798 WeakPolarHBondContact O-CG 3.31Å; R794-E798 PolarHBondContact O-N 2.74Å |
| 795 | Q | 72.8 | Confident | 72.7 | Confident | 158 Ų | 158 | 58.9 Ų | 58.9 | 74% | 0.738 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -70.1 | -37.2 | -179.2 | -64.6 | 171.5 | 3 | 0 | 0 | 111.8 | S793 A799 | S793-Q795 PolarHBondContact O-N 3.23Å; Q795-A799 WeakPolarHBondContact O-CB 3.35Å; Q795-A799 PolarHBondContact O-N 3.2Å |
| 796 | E | 76.9 | Confident | 73.3 | Confident | 97 Ų | 97 | 63 Ų | 63 | 45% | 0.453 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -70.4 | -37.2 | 172.8 | -70.2 | 159.5 | 122.2 | 0 | 0 | 111.7 | H792 S793 A799 L800 | H792-E796 HydrophobicContact CB-CB 4.42Å; S793-E796 VanDerWaalsContact CB-OE2 3.25Å; S793-E796 WeakPolarHBondContact CB-OE2 3.45Å; S793-E796 PolarHBondContact N-OE2 2.76Å; S793-E796 PolarHBondContact O-N 3Å; S793-E796 VanDerWaalsContact O-N 3.1Å; S793-E796 WeakPolarHBondContact OG-CG 3.21Å; S793-E796 PolarHBondContact OG-N 2.71Å; S793-E796 PolarHBondContact OG-OE2 2.81Å; E796-A799 PolarHBondContact O-N 2.64Å; E796-L800 WeakPolarHBondContact O-CB 3.39Å; E796-L800 VanDerWaalsContact O-CG 3.3Å; E796-L800 WeakPolarHBondContact O-CG 3.28Å; E796-L800 PolarHBondContact O-N 3.33Å |
| 797 | I | 78.8 | Confident | 74.2 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.1 | -42.9 | 174 | -69.6 | 167.7 | 0 | 0 | 0 | 111.3 | V785 H792 S793 R794 A799 L800 S801 A827 V830 V834 I836 | V785-I797 HydrophobicContact CG2-CD1 4.3Å; V785-I797 HydrophobicContact CG2-CG1 3.97Å; H792-I797 HydrophobicContact CB-CD1 4.46Å; H792-I797 HydrophobicContact CB-CG1 4.14Å; S793-I797 PolarHBondContact O-N 3.35Å; R794-I797 PolarHBondContact O-N 3.24Å; I797-A799 VanDerWaalsContact C-N 3.34Å; I797-L800 PolarHBondContact O-N 3.27Å; I797-S801 WeakPolarHBondContact O-CB 3.46Å; I797-S801 PolarHBondContact O-N 3.05Å; I797-S801 PolarHBondContact O-OG 2.88Å; I797-A827 HydrophobicContact CG2-CB 4.4Å; I797-V830 HydrophobicContact CD1-CG1 4.32Å; I797-V830 HydrophobicContact CG1-CG1 4.37Å; I797-V830 HydrophobicContact CG2-CB 3.81Å; I797-V830 HydrophobicContact CG2-CG1 3.5Å; I797-V830 VanDerWaalsContact CG2-CG1 3.5Å; I797-V834 HydrophobicContact CD1-CG2 3.86Å; I797-I836 HydrophobicContact CD1-CD1 4.12Å |
| 798 | E | 82 | Confident | 75.2 | Confident | 49 Ų | 49 | 60.8 Ų | 60.8 | 23% | 0.229 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.4 | -41.5 | 172.9 | -76.7 | 179.7 | -151.2 | 0 | 0 | 111.2 | R794 S801 I802 W823 A827 | R794-E798 WeakPolarHBondContact CG-OE1 3.24Å; R794-E798 IonicContact CZ-OE1 3.04Å; R794-E798 IonicContact NE-OE1 3.31Å; R794-E798 PolarHBondContact NE-OE1 3.18Å; R794-E798 IonicContact NH2-OE1 2.76Å; R794-E798 WeakPolarHBondContact O-CB 3.3Å; R794-E798 WeakPolarHBondContact O-CG 3.31Å; R794-E798 PolarHBondContact O-N 2.74Å; E798-S801 PolarHBondContact O-N 2.88Å; E798-I802 WeakPolarHBondContact O-CG1 3.02Å; E798-I802 PolarHBondContact O-N 3.33Å; E798-W823 HydrophobicContact CB-CZ3 4.07Å; E798-W823 HydrophobicContact CG-CZ3 4.25Å; E798-A827 HydrophobicContact CB-CB 4.27Å; E798-A827 HydrophobicContact CG-CB 3.58Å |
| 799 | A | 77.6 | Confident | 76.6 | Confident | 50 Ų | 50 | 60 Ų | 60 | 41% | 0.413 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -65 | -46.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q795 E796 I797 S801 I802 V803 | Q795-A799 WeakPolarHBondContact O-CB 3.35Å; Q795-A799 PolarHBondContact O-N 3.2Å; E796-A799 PolarHBondContact O-N 2.64Å; I797-A799 VanDerWaalsContact C-N 3.34Å; A799-S801 VanDerWaalsContact C-N 3.26Å; A799-S801 PolarHBondContact O-N 3.5Å; A799-I802 PolarHBondContact O-N 2.69Å; A799-V803 WeakPolarHBondContact O-CG2 3.31Å; A799-V803 PolarHBondContact O-N 2.88Å; A799-V803 VanDerWaalsContact O-N 3.13Å |
| 800 | L | 80.6 | Confident | 77.8 | Confident | 42 Ų | 42 | 66.5 Ų | 66.5 | 22% | 0.22 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.2 | -39.8 | 174.8 | -73.7 | 168.7 | 0 | 0 | 0 | 111 | I781 E796 I797 V803 K804 | I781-L800 HydrophobicContact CG1-CB 4.38Å; I781-L800 HydrophobicContact CG2-CB 4Å; I781-L800 HydrophobicContact CG2-CD1 4.22Å; E796-L800 WeakPolarHBondContact O-CB 3.39Å; E796-L800 VanDerWaalsContact O-CG 3.3Å; E796-L800 WeakPolarHBondContact O-CG 3.28Å; E796-L800 PolarHBondContact O-N 3.33Å; I797-L800 PolarHBondContact O-N 3.27Å; L800-V803 PolarHBondContact O-N 3.41Å; L800-K804 WeakPolarHBondContact O-CB 3.42Å; L800-K804 PolarHBondContact O-N 3.37Å |
| 801 | S | 83.8 | Confident | 78.3 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.2 | -41.1 | 177.3 | -56.2 | 0 | 0 | 0 | 0 | 112.7 | I797 E798 A799 M805 W823 A827 | I797-S801 WeakPolarHBondContact O-CB 3.46Å; I797-S801 PolarHBondContact O-N 3.05Å; I797-S801 PolarHBondContact O-OG 2.88Å; E798-S801 PolarHBondContact O-N 2.88Å; A799-S801 VanDerWaalsContact C-N 3.26Å; A799-S801 PolarHBondContact O-N 3.5Å; S801-M805 WeakPolarHBondContact O-CB 3.33Å; S801-M805 PolarHBondContact O-N 3.29Å; S801-W823 VanDerWaalsContact CB-O 3.3Å; S801-W823 WeakPolarHBondContact CB-O 3.34Å; S801-A827 VanDerWaalsContact OG-CA 3.28Å; S801-A827 WeakPolarHBondContact OG-CA 3.38Å; S801-A827 WeakPolarHBondContact OG-CB 3.29Å; S801-A827 PolarHBondContact OG-N 3.01Å |
| 802 | I | 81.8 | Confident | 79.3 | Confident | 57 Ų | 57 | 60.2 Ų | 60.2 | 29% | 0.292 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58.9 | -48.9 | 173.4 | -67.5 | 161.5 | 0 | 0 | 0 | 110.6 | E798 A799 K806 W823 | E798-I802 WeakPolarHBondContact O-CG1 3.02Å; E798-I802 PolarHBondContact O-N 3.33Å; A799-I802 PolarHBondContact O-N 2.69Å; I802-K806 HydrophobicContact CG2-CD 4.14Å; I802-K806 WeakPolarHBondContact O-CB 3.5Å; I802-K806 WeakPolarHBondContact O-CG 3.4Å; I802-K806 PolarHBondContact O-N 2.84Å; I802-W823 HydrophobicContact CB-CG 4.35Å; I802-W823 HydrophobicContact CD1-CD2 4.06Å; I802-W823 HydrophobicContact CD1-CE3 4.12Å; I802-W823 HydrophobicContact CD1-CH2 3.99Å; I802-W823 HydrophobicContact CD1-CZ2 3.9Å; I802-W823 HydrophobicContact CD1-CZ3 4.09Å; I802-W823 HydrophobicContact CG1-CB 4.22Å; I802-W823 HydrophobicContact CG1-CD2 3.28Å; I802-W823 VanDerWaalsContact CG1-CE2 3.47Å; I802-W823 HydrophobicContact CG1-CE3 3.62Å; I802-W823 HydrophobicContact CG1-CG 3.55Å; I802-W823 HydrophobicContact CG1-CH2 4.3Å; I802-W823 HydrophobicContact CG1-CZ2 4Å; I802-W823 HydrophobicContact CG1-CZ3 4.12Å |
| 803 | V | 82.3 | Confident | 79.4 | Confident | 96 Ų | 96 | 62.4 Ų | 62.4 | 58% | 0.582 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -67 | -50.2 | -176 | 174.6 | 0 | 0 | 0 | 0 | 110.9 | A799 L800 K806 E807 | A799-V803 WeakPolarHBondContact O-CG2 3.31Å; A799-V803 PolarHBondContact O-N 2.88Å; A799-V803 VanDerWaalsContact O-N 3.13Å; L800-V803 PolarHBondContact O-N 3.41Å; V803-K806 PolarHBondContact O-N 3.16Å; V803-E807 WeakPolarHBondContact O-CB 3.22Å; V803-E807 PolarHBondContact O-N 3.35Å |
| 804 | K | 81.9 | Confident | 79.3 | Confident | 22 Ų | 22 | 63.1 Ų | 63.1 | 10% | 0.096 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.7 | -41 | -177.8 | -82.3 | -77 | 167.1 | -167.4 | 0 | 113.2 | A777 E780 I781 L800 K806 E807 L808 | A777-K804 HydrophobicContact CB-CB 4.42Å; E780-K804 HydrophobicContact CB-CD 4.35Å; E780-K804 WeakPolarHBondContact OE2-CD 3.35Å; E780-K804 WeakPolarHBondContact OE2-CE 3.42Å; E780-K804 IonicContact OE2-NZ 3.31Å; E780-K804 PolarHBondContact OE2-NZ 3.25Å; I781-K804 HydrophobicContact CD1-CB 4.03Å; I781-K804 HydrophobicContact CD1-CG 4.38Å; I781-K804 HydrophobicContact CG1-CB 4.14Å; I781-K804 HydrophobicContact CG1-CG 3.94Å; L800-K804 WeakPolarHBondContact O-CB 3.42Å; L800-K804 PolarHBondContact O-N 3.37Å; K804-K806 VanDerWaalsContact C-N 3.33Å; K804-K806 PolarHBondContact O-N 2.88Å; K804-E807 WeakPolarHBondContact CD-OE2 3.47Å; K804-E807 WeakPolarHBondContact CE-OE2 3.27Å; K804-E807 IonicContact NZ-OE2 2.72Å; K804-E807 PolarHBondContact NZ-OE2 2.93Å; K804-E807 PolarHBondContact O-N 2.69Å; K804-L808 WeakPolarHBondContact O-CB 3.49Å; K804-L808 WeakPolarHBondContact O-CG 3.15Å; K804-L808 PolarHBondContact O-N 2.86Å |
| 805 | M | 86.3 | Confident | 79.4 | Confident | 5 Ų | 5 | 67.7 Ų | 67.7 | 3% | 0.025 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64 | -40.5 | 177.1 | -161.6 | 70.1 | -148.8 | 0 | 0 | 111.1 | M770 L773 R774 A777 S801 C809 W823 V826 | M770-M805 HydrophobicContact CE-CE 3.54Å; L773-M805 HydrophobicContact CB-CE 3.73Å; R774-M805 HydrophobicContact CB-CE 4.5Å; R774-M805 HydrophobicContact CB-SD 4.42Å; R774-M805 HydrophobicContact CG-CE 3.69Å; R774-M805 HydrophobicContact CG-SD 3.83Å; A777-M805 HydrophobicContact CB-SD 4.23Å; S801-M805 WeakPolarHBondContact O-CB 3.33Å; S801-M805 PolarHBondContact O-N 3.29Å; M805-C809 WeakPolarHBondContact O-CB 3.18Å; M805-C809 PolarHBondContact O-N 2.58Å; M805-C809 PolarHBondContact O-SG 2.96Å; M805-W823 HydrophobicContact CB-CB 4.23Å; M805-V826 HydrophobicContact SD-CG2 4.05Å |
| 806 | K | 81.8 | Confident | 79.5 | Confident | 86 Ų | 86 | 61.1 Ų | 61.1 | 37% | 0.374 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -69.1 | -37.8 | 175.3 | -74.9 | 174.4 | 176.3 | -74.4 | 0 | 113.1 | I802 V803 K804 R810 E819 | I802-K806 HydrophobicContact CG2-CD 4.14Å; I802-K806 WeakPolarHBondContact O-CB 3.5Å; I802-K806 WeakPolarHBondContact O-CG 3.4Å; I802-K806 PolarHBondContact O-N 2.84Å; V803-K806 PolarHBondContact O-N 3.16Å; K804-K806 VanDerWaalsContact C-N 3.33Å; K804-K806 PolarHBondContact O-N 2.88Å; K806-R810 WeakPolarHBondContact O-CB 3.22Å; K806-R810 PolarHBondContact O-N 3.04Å; K806-R810 VanDerWaalsContact O-N 3.09Å; K806-E819 IonicContact NZ-OE1 3.49Å; K806-E819 PolarHBondContact NZ-OE1 3.47Å; K806-E819 IonicContact NZ-OE2 2.7Å; K806-E819 PolarHBondContact NZ-OE2 2.85Å |
| 807 | E | 81.8 | Confident | 79.3 | Confident | 81 Ų | 81 | 62 Ų | 62 | 38% | 0.379 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59.1 | -52.4 | 172.8 | -176.6 | -178.5 | -157.5 | 0 | 0 | 110.5 | V803 K804 R810 M811 | V803-E807 WeakPolarHBondContact O-CB 3.22Å; V803-E807 PolarHBondContact O-N 3.35Å; K804-E807 WeakPolarHBondContact CD-OE2 3.47Å; K804-E807 WeakPolarHBondContact CE-OE2 3.27Å; K804-E807 IonicContact NZ-OE2 2.72Å; K804-E807 PolarHBondContact NZ-OE2 2.93Å; K804-E807 PolarHBondContact O-N 2.69Å; E807-R810 PolarHBondContact O-N 2.94Å; E807-M811 HydrophobicContact CG-CG 4.47Å; E807-M811 HydrophobicContact CG-SD 4.35Å; E807-M811 WeakPolarHBondContact O-CG 3.44Å; E807-M811 PolarHBondContact O-N 3.3Å |
| 808 | L | 79.5 | Confident | 79.1 | Confident | 2 Ų | 2 | 66.1 Ų | 66.1 | 1% | 0.01 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64.6 | -48.6 | -177.6 | -72 | 166.9 | 0 | 0 | 0 | 112.2 | L773 Q776 A777 K804 R810 M811 Y812 | L773-L808 HydrophobicContact CD2-CB 4.32Å; Q776-L808 HydrophobicContact CB-CD1 4.2Å; Q776-L808 HydrophobicContact CG-CD1 4.02Å; Q776-L808 HydrophobicContact CG-CD2 3.97Å; A777-L808 HydrophobicContact CB-CD1 3.79Å; K804-L808 WeakPolarHBondContact O-CB 3.49Å; K804-L808 WeakPolarHBondContact O-CG 3.15Å; K804-L808 PolarHBondContact O-N 2.86Å; L808-R810 VanDerWaalsContact C-N 3.27Å; L808-R810 PolarHBondContact O-N 3.46Å; L808-M811 HydrophobicContact CD2-CE 4.11Å; L808-M811 PolarHBondContact O-N 3.18Å; L808-M811 VanDerWaalsContact O-N 3.14Å; L808-Y812 HydrophobicContact CD2-CE2 4.02Å; L808-Y812 WeakPolarHBondContact O-CD2 3.29Å; L808-Y812 PolarHBondContact O-N 2.92Å; L808-Y812 VanDerWaalsContact O-N 3.07Å |
| 809 | C | 81.2 | Confident | 78.7 | Confident | 10 Ų | 10 | 67.8 Ų | 67.8 | 7% | 0.068 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -55.9 | -41.6 | 175 | -73.3 | 0 | 0 | 0 | 0 | 112.3 | M805 A813 K814 | M805-C809 WeakPolarHBondContact O-CB 3.18Å; M805-C809 PolarHBondContact O-N 2.58Å; M805-C809 PolarHBondContact O-SG 2.96Å; C809-A813 PolarHBondContact O-N 3.42Å; C809-A813 VanDerWaalsContact O-N 3.15Å; C809-K814 WeakPolarHBondContact CB-O 3.16Å; C809-K814 PolarHBondContact O-N 2.76Å |
| 810 | R | 80.4 | Confident | 78.5 | Confident | 222 Ų | 222 | 72.7 Ų | 72.7 | 84% | 0.838 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -67.3 | -40.5 | 176.4 | -170.6 | 177.9 | -172.5 | 174.4 | 3.1 | 112.6 | K806 E807 L808 A813 | K806-R810 WeakPolarHBondContact O-CB 3.22Å; K806-R810 PolarHBondContact O-N 3.04Å; K806-R810 VanDerWaalsContact O-N 3.09Å; E807-R810 PolarHBondContact O-N 2.94Å; L808-R810 VanDerWaalsContact C-N 3.27Å; L808-R810 PolarHBondContact O-N 3.46Å; R810-A813 PolarHBondContact O-N 2.69Å |
| 811 | M | 76 | Confident | 78.3 | Confident | 69 Ų | 69 | 76.2 Ų | 76.2 | 34% | 0.34 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -69.3 | -34.9 | -179.1 | -73.8 | -162.7 | -27.9 | 0 | 0 | 113.9 | R760 E807 L808 | R760-M811 PolarHBondContact NH2-SD 3Å; E807-M811 HydrophobicContact CG-CG 4.47Å; E807-M811 HydrophobicContact CG-SD 4.35Å; E807-M811 WeakPolarHBondContact O-CG 3.44Å; E807-M811 PolarHBondContact O-N 3.3Å; L808-M811 HydrophobicContact CD2-CE 4.11Å; L808-M811 PolarHBondContact O-N 3.18Å; L808-M811 VanDerWaalsContact O-N 3.14Å |
| 812 | Y | 76.8 | Confident | 78.1 | Confident | 25 Ų | 25 | 76.2 Ų | 76.2 | 10% | 0.098 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 10.1 | 178.2 | -62.5 | -85.7 | 0 | 0 | 0 | 113.3 | I761 V768 L773 L808 K814 | I761-Y812 HydrophobicContact CB-CE1 4.16Å; I761-Y812 PolarHBondContact N-OH 3.39Å; I761-Y812 VanDerWaalsContact N-OH 3.11Å; V768-Y812 HydrophobicContact CG2-CD1 4.13Å; L773-Y812 HydrophobicContact CD2-CD2 3.4Å; L773-Y812 VanDerWaalsContact CD2-CD2 3.4Å; L773-Y812 HydrophobicContact CD2-CE2 3.88Å; L773-Y812 HydrophobicContact CD2-CG 3.99Å; L808-Y812 HydrophobicContact CD2-CE2 4.02Å; L808-Y812 WeakPolarHBondContact O-CD2 3.29Å; L808-Y812 PolarHBondContact O-N 2.92Å; L808-Y812 VanDerWaalsContact O-N 3.07Å; Y812-K814 PolarHBondContact O-N 2.77Å |
| 813 | A | 76.5 | Confident | 78.1 | Confident | 92 Ų | 92 | 75.3 Ų | 75.3 | 76% | 0.76 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 32.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | C809 R810 | C809-A813 PolarHBondContact O-N 3.42Å; C809-A813 VanDerWaalsContact O-N 3.15Å; R810-A813 PolarHBondContact O-N 2.69Å |
| 814 | K | 74.1 | Confident | 78 | Confident | 59 Ų | 59 | 75.9 Ų | 75.9 | 26% | 0.257 | 37% | 0.367 | S | S | . | . | trans | -95.1 | 126.3 | 176.3 | -62.7 | -75.5 | 166.8 | 154.7 | 0 | 108.8 | P765 K766 V768 M770 L773 C809 Y812 | P765-K814 WeakPolarHBondContact O-CE 3.17Å; P765-K814 PolarHBondContact O-NZ 2.85Å; K766-K814 PolarHBondContact O-NZ 3.16Å; V768-K814 WeakPolarHBondContact O-CE 3.49Å; V768-K814 PolarHBondContact O-NZ 2.77Å; M770-K814 HydrophobicContact SD-CB 4.03Å; L773-K814 HydrophobicContact CD1-CB 4.02Å; L773-K814 HydrophobicContact CD1-CG 4.05Å; C809-K814 WeakPolarHBondContact CB-O 3.16Å; C809-K814 PolarHBondContact O-N 2.76Å; Y812-K814 PolarHBondContact O-N 2.77Å | ||
| 815 | K | 73.9 | Confident | 78 | Confident | 199 Ų | 199 | 76.5 Ų | 76.5 | 87% | 0.865 | 38% | 0.376 | S | S | * | . | trans | -90 | 115.4 | 173.8 | -171.2 | 178.7 | -179 | -176.3 | 0 | 108.9 | ||||
| 816 | D | 75.2 | Confident | 77.9 | Confident | 21 Ų | 21 | 76.3 Ų | 76.3 | 11% | 0.112 | 38% | 0.375 | C | S | . | . | trans | -78.5 | 125.1 | 175.8 | -169.2 | -12.8 | 0 | 0 | 0 | 110.3 | M770 N818 E819 S822 | M770-D816 HydrophobicContact CE-CB 3.64Å; M770-D816 VanDerWaalsContact CE-OD2 3.3Å; M770-D816 WeakPolarHBondContact CE-OD2 3.46Å; M770-D816 HydrophobicContact SD-CB 4.34Å; D816-N818 PolarHBondContact OD1-N 2.7Å; D816-E819 HydrophobicContact CB-CG 3.97Å; D816-E819 PolarHBondContact OD1-N 3.44Å; D816-E819 WeakPolarHBondContact OD2-CA 3.26Å; D816-S822 PolarHBondContact OD1-OG 3.38Å; D816-S822 WeakPolarHBondContact OD2-CB 3.25Å; D816-S822 PolarHBondContact OD2-OG 3.32Å | ||
| 817 | S | 73.1 | Confident | 77.9 | Confident | 116 Ų | 116 | 72.2 Ų | 72.2 | 81% | 0.811 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -36.6 | 176.6 | -56.3 | 0 | 0 | 0 | 0 | 112.2 | ||
| 818 | N | 75.4 | Confident | 77.6 | Confident | 85 Ų | 85 | 71.6 Ų | 71.6 | 46% | 0.455 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.4 | 56.8 | -174.6 | -79.2 | 14 | 0 | 0 | 0 | 110.4 | D816 K820 E821 S822 | D816-N818 PolarHBondContact OD1-N 2.7Å; N818-K820 PolarHBondContact O-N 2.82Å; N818-E821 HydrophobicContact CB-CB 4.23Å; N818-E821 HydrophobicContact CB-CG 4.41Å; N818-E821 PolarHBondContact ND2-OE2 3.49Å; N818-E821 PolarHBondContact O-N 2.91Å; N818-S822 PolarHBondContact O-N 2.88Å |
| 819 | E | 74 | Confident | 77.4 | Confident | 85 Ų | 85 | 74.9 Ų | 74.9 | 40% | 0.397 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -43.1 | -44.4 | 177.8 | -71.9 | -168.9 | 141.2 | 0 | 0 | 112.7 | K806 D816 E821 S822 W823 | K806-E819 IonicContact NZ-OE1 3.49Å; K806-E819 PolarHBondContact NZ-OE1 3.47Å; K806-E819 IonicContact NZ-OE2 2.7Å; K806-E819 PolarHBondContact NZ-OE2 2.85Å; D816-E819 HydrophobicContact CB-CG 3.97Å; D816-E819 PolarHBondContact OD1-N 3.44Å; D816-E819 WeakPolarHBondContact OD2-CA 3.26Å; E819-E821 VanDerWaalsContact C-N 3.26Å; E819-E821 PolarHBondContact O-N 3.46Å; E819-S822 PolarHBondContact O-N 2.86Å; E819-W823 PolarHBondContact O-N 2.88Å |
| 820 | K | 72.8 | Confident | 77.2 | Confident | 152 Ų | 152 | 74.4 Ų | 74.4 | 66% | 0.661 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -67.1 | -22.1 | -176.1 | -165.4 | 176.8 | -179.1 | -177.8 | 0 | 114.1 | N818 W823 K824 | N818-K820 PolarHBondContact O-N 2.82Å; K820-W823 HydrophobicContact CG-CZ2 4.3Å; K820-K824 WeakPolarHBondContact O-CB 3.32Å; K820-K824 WeakPolarHBondContact O-CD 3.35Å; K820-K824 VanDerWaalsContact O-CG 3.22Å; K820-K824 WeakPolarHBondContact O-CG 3.2Å |
| 821 | E | 76.2 | Confident | 76.9 | Confident | 116 Ų | 116 | 63.9 Ų | 63.9 | 54% | 0.542 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -93.1 | -38.9 | 171.8 | -63.4 | -178.9 | 155 | 0 | 0 | 110.6 | N818 E819 W823 K824 A825 | N818-E821 HydrophobicContact CB-CB 4.23Å; N818-E821 HydrophobicContact CB-CG 4.41Å; N818-E821 PolarHBondContact ND2-OE2 3.49Å; N818-E821 PolarHBondContact O-N 2.91Å; E819-E821 VanDerWaalsContact C-N 3.26Å; E819-E821 PolarHBondContact O-N 3.46Å; E821-W823 PolarHBondContact O-N 2.89Å; E821-K824 PolarHBondContact O-N 3.35Å; E821-A825 WeakPolarHBondContact O-CB 3.48Å; E821-A825 PolarHBondContact O-N 2.89Å |
| 822 | S | 79.1 | Confident | 76.6 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -57.2 | -52 | 177.8 | -67.9 | 0 | 0 | 0 | 0 | 113.1 | R774 D816 N818 E819 K824 A825 V826 | R774-S822 PolarHBondContact NE-OG 3.44Å; R774-S822 VanDerWaalsContact NE-OG 3.12Å; R774-S822 PolarHBondContact NH2-OG 3.49Å; D816-S822 PolarHBondContact OD1-OG 3.38Å; D816-S822 WeakPolarHBondContact OD2-CB 3.25Å; D816-S822 PolarHBondContact OD2-OG 3.32Å; N818-S822 PolarHBondContact O-N 2.88Å; E819-S822 PolarHBondContact O-N 2.86Å; S822-K824 VanDerWaalsContact C-N 3.27Å; S822-K824 PolarHBondContact O-N 3.21Å; S822-A825 PolarHBondContact O-N 2.95Å; S822-V826 VanDerWaalsContact O-CG2 3.3Å; S822-V826 WeakPolarHBondContact O-CG2 3.44Å; S822-V826 PolarHBondContact O-N 3.29Å |
| 823 | W | 82.3 | Confident | 75.9 | Confident | 39 Ų | 39 | 64.3 Ų | 64.3 | 15% | 0.148 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -71.2 | -24.5 | 178.9 | 68.5 | -111.3 | 0 | 0 | 0 | 112.7 | E798 S801 I802 M805 E819 K820 E821 A827 | E798-W823 HydrophobicContact CB-CZ3 4.07Å; E798-W823 HydrophobicContact CG-CZ3 4.25Å; S801-W823 VanDerWaalsContact CB-O 3.3Å; S801-W823 WeakPolarHBondContact CB-O 3.34Å; I802-W823 HydrophobicContact CB-CG 4.35Å; I802-W823 HydrophobicContact CD1-CD2 4.06Å; I802-W823 HydrophobicContact CD1-CE3 4.12Å; I802-W823 HydrophobicContact CD1-CH2 3.99Å; I802-W823 HydrophobicContact CD1-CZ2 3.9Å; I802-W823 HydrophobicContact CD1-CZ3 4.09Å; I802-W823 HydrophobicContact CG1-CB 4.22Å; I802-W823 HydrophobicContact CG1-CD2 3.28Å; I802-W823 VanDerWaalsContact CG1-CE2 3.47Å; I802-W823 HydrophobicContact CG1-CE3 3.62Å; I802-W823 HydrophobicContact CG1-CG 3.55Å; I802-W823 HydrophobicContact CG1-CH2 4.3Å; I802-W823 HydrophobicContact CG1-CZ2 4Å; I802-W823 HydrophobicContact CG1-CZ3 4.12Å; M805-W823 HydrophobicContact CB-CB 4.23Å; E819-W823 PolarHBondContact O-N 2.88Å; K820-W823 HydrophobicContact CG-CZ2 4.3Å; E821-W823 PolarHBondContact O-N 2.89Å; W823-A827 VanDerWaalsContact O-CB 3.24Å; W823-A827 WeakPolarHBondContact O-CB 3.43Å; W823-A827 PolarHBondContact O-N 3.16Å |
| 824 | K | 80.4 | Confident | 75.3 | Confident | 107 Ų | 107 | 60.2 Ų | 60.2 | 47% | 0.465 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -73.5 | -40.7 | 174.5 | -82.1 | -169 | 169.3 | -143.6 | 0 | 112.8 | K820 E821 S822 A827 Q828 | K820-K824 WeakPolarHBondContact O-CB 3.32Å; K820-K824 WeakPolarHBondContact O-CD 3.35Å; K820-K824 VanDerWaalsContact O-CG 3.22Å; K820-K824 WeakPolarHBondContact O-CG 3.2Å; E821-K824 PolarHBondContact O-N 3.35Å; S822-K824 VanDerWaalsContact C-N 3.27Å; S822-K824 PolarHBondContact O-N 3.21Å; K824-A827 PolarHBondContact O-N 3.26Å; K824-Q828 VanDerWaalsContact O-CB 3.27Å; K824-Q828 WeakPolarHBondContact O-CB 3.37Å; K824-Q828 PolarHBondContact O-N 2.84Å |
| 825 | A | 82.2 | Confident | 74.4 | Confident | 36 Ų | 36 | 58.1 Ų | 58.1 | 30% | 0.298 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.2 | -50.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | E821 S822 A827 Q828 D829 | E821-A825 WeakPolarHBondContact O-CB 3.48Å; E821-A825 PolarHBondContact O-N 2.89Å; S822-A825 PolarHBondContact O-N 2.95Å; A825-A827 VanDerWaalsContact C-N 3.34Å; A825-A827 PolarHBondContact O-N 3.04Å; A825-Q828 PolarHBondContact O-N 3.41Å; A825-D829 WeakPolarHBondContact O-CB 3.49Å; A825-D829 PolarHBondContact O-N 2.95Å |
| 826 | V | 82.8 | Confident | 73.7 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -55.5 | -46.4 | 174.4 | 170.7 | 0 | 0 | 0 | 0 | 111.8 | R774 A777 V778 I781 M805 S822 V830 | R774-V826 HydrophobicContact CB-CG2 3.77Å; R774-V826 HydrophobicContact CG-CG2 3.92Å; A777-V826 HydrophobicContact CB-CG1 3.72Å; A777-V826 HydrophobicContact CB-CG2 4.07Å; V778-V826 HydrophobicContact CG2-CB 4.2Å; V778-V826 HydrophobicContact CG2-CG1 3.91Å; V778-V826 HydrophobicContact CG2-CG2 4.2Å; I781-V826 HydrophobicContact CD1-CG1 3.63Å; M805-V826 HydrophobicContact SD-CG2 4.05Å; S822-V826 VanDerWaalsContact O-CG2 3.3Å; S822-V826 WeakPolarHBondContact O-CG2 3.44Å; S822-V826 PolarHBondContact O-N 3.29Å; V826-V830 HydrophobicContact CG1-CG2 4.47Å; V826-V830 WeakPolarHBondContact O-CB 3.46Å; V826-V830 WeakPolarHBondContact O-CG2 3.31Å; V826-V830 PolarHBondContact O-N 3.47Å |
| 827 | A | 81.8 | Confident | 72.1 | Confident | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.008 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.2 | -38.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113 | I797 E798 S801 W823 K824 A825 C831 | I797-A827 HydrophobicContact CG2-CB 4.4Å; E798-A827 HydrophobicContact CB-CB 4.27Å; E798-A827 HydrophobicContact CG-CB 3.58Å; S801-A827 VanDerWaalsContact OG-CA 3.28Å; S801-A827 WeakPolarHBondContact OG-CA 3.38Å; S801-A827 WeakPolarHBondContact OG-CB 3.29Å; S801-A827 PolarHBondContact OG-N 3.01Å; W823-A827 VanDerWaalsContact O-CB 3.24Å; W823-A827 WeakPolarHBondContact O-CB 3.43Å; W823-A827 PolarHBondContact O-N 3.16Å; K824-A827 PolarHBondContact O-N 3.26Å; A825-A827 VanDerWaalsContact C-N 3.34Å; A825-A827 PolarHBondContact O-N 3.04Å; A827-C831 VanDerWaalsContact O-CB 3.31Å; A827-C831 WeakPolarHBondContact O-CB 3.24Å; A827-C831 PolarHBondContact O-N 2.74Å; A827-C831 PolarHBondContact O-SG 2.87Å; A827-C831 VanDerWaalsContact O-SG 3.33Å |
| 828 | Q | 77.1 | Confident | 70.4 | Confident | 68 Ų | 68 | 56.4 Ų | 56.4 | 32% | 0.318 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -68.6 | -48 | 176.8 | -174.1 | 61.1 | 46.6 | 0 | 0 | 110.5 | K824 A825 V830 C831 D832 | K824-Q828 VanDerWaalsContact O-CB 3.27Å; K824-Q828 WeakPolarHBondContact O-CB 3.37Å; K824-Q828 PolarHBondContact O-N 2.84Å; A825-Q828 PolarHBondContact O-N 3.41Å; Q828-V830 VanDerWaalsContact C-N 3.3Å; Q828-V830 PolarHBondContact O-N 3.47Å; Q828-C831 PolarHBondContact O-N 3.19Å; Q828-C831 VanDerWaalsContact O-N 3.16Å; Q828-D832 PolarHBondContact NE2-OD1 3.36Å; Q828-D832 PolarHBondContact NE2-OD2 3.37Å; Q828-D832 WeakPolarHBondContact O-CB 3.36Å; Q828-D832 VanDerWaalsContact O-CG 3.31Å; Q828-D832 PolarHBondContact O-N 2.97Å |
| 829 | D | 75 | Confident | 68.7 | Low | 71 Ų | 71 | 61.5 Ų | 61.5 | 38% | 0.38 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -57.4 | -41 | 174.1 | -82.1 | -41.5 | 0 | 0 | 0 | 112.2 | V778 A825 T833 | V778-D829 HydrophobicContact CG1-CB 4.41Å; V778-D829 HydrophobicContact CG2-CB 3.82Å; A825-D829 WeakPolarHBondContact O-CB 3.49Å; A825-D829 PolarHBondContact O-N 2.95Å; D829-T833 WeakPolarHBondContact O-CB 3.45Å; D829-T833 PolarHBondContact O-N 3.29Å; D829-T833 PolarHBondContact O-OG1 2.86Å |
| 830 | V | 75.3 | Confident | 66.5 | Low | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.6 | -55.8 | 172.5 | 172 | 0 | 0 | 0 | 0 | 109.8 | V778 I781 I797 V826 Q828 D832 T833 V834 | V778-V830 HydrophobicContact CB-CG2 4.24Å; V778-V830 HydrophobicContact CG1-CG2 4.01Å; V778-V830 HydrophobicContact CG2-CG2 4.27Å; I781-V830 HydrophobicContact CB-CG2 3.98Å; I781-V830 HydrophobicContact CD1-CG2 4.46Å; I781-V830 HydrophobicContact CG2-CG1 3.94Å; I781-V830 HydrophobicContact CG2-CG2 4.05Å; I797-V830 HydrophobicContact CD1-CG1 4.32Å; I797-V830 HydrophobicContact CG1-CG1 4.37Å; I797-V830 HydrophobicContact CG2-CB 3.81Å; I797-V830 HydrophobicContact CG2-CG1 3.5Å; I797-V830 VanDerWaalsContact CG2-CG1 3.5Å; V826-V830 HydrophobicContact CG1-CG2 4.47Å; V826-V830 WeakPolarHBondContact O-CB 3.46Å; V826-V830 WeakPolarHBondContact O-CG2 3.31Å; V826-V830 PolarHBondContact O-N 3.47Å; Q828-V830 VanDerWaalsContact C-N 3.3Å; Q828-V830 PolarHBondContact O-N 3.47Å; V830-D832 VanDerWaalsContact C-N 3.31Å; V830-D832 PolarHBondContact O-N 3.43Å; V830-T833 CarbonylContact O-C 3.6Å; V830-T833 PolarHBondContact O-N 2.95Å; V830-V834 HydrophobicContact CG1-CG1 4.15Å; V830-V834 HydrophobicContact CG1-CG2 4.33Å; V830-V834 VanDerWaalsContact O-CG2 3.31Å; V830-V834 WeakPolarHBondContact O-CG2 3.37Å; V830-V834 PolarHBondContact O-N 3.3Å |
| 831 | C | 74.4 | Confident | 64.3 | Low | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -55.2 | -41.1 | -178.7 | -80.4 | 0 | 0 | 0 | 0 | 113.3 | A827 Q828 G835 I836 | A827-C831 VanDerWaalsContact O-CB 3.31Å; A827-C831 WeakPolarHBondContact O-CB 3.24Å; A827-C831 PolarHBondContact O-N 2.74Å; A827-C831 PolarHBondContact O-SG 2.87Å; A827-C831 VanDerWaalsContact O-SG 3.33Å; Q828-C831 PolarHBondContact O-N 3.19Å; Q828-C831 VanDerWaalsContact O-N 3.16Å; C831-G835 WeakPolarHBondContact O-CA 3.41Å; C831-G835 PolarHBondContact O-N 3.38Å; C831-I836 PolarHBondContact O-N 2.95Å |
| 832 | D | 69.4 | Low | 62.3 | Low | 80 Ų | 80 | 67.4 Ų | 67.4 | 43% | 0.428 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -72.7 | -33.9 | 177.6 | -66 | -27.5 | 0 | 0 | 0 | 111.8 | Q828 V830 | Q828-D832 PolarHBondContact NE2-OD1 3.36Å; Q828-D832 PolarHBondContact NE2-OD2 3.37Å; Q828-D832 WeakPolarHBondContact O-CB 3.36Å; Q828-D832 VanDerWaalsContact O-CG 3.31Å; Q828-D832 PolarHBondContact O-N 2.97Å; V830-D832 VanDerWaalsContact C-N 3.31Å; V830-D832 PolarHBondContact O-N 3.43Å |
| 833 | T | 63.8 | Low | 60.1 | Low | 24 Ų | 24 | 73.4 Ų | 73.4 | 15% | 0.147 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -74.6 | -33.6 | 175.5 | -58 | 0 | 0 | 0 | 0 | 112.6 | R723 D829 V830 | R723-T833 PolarHBondContact NE-OG1 3.33Å; R723-T833 PolarHBondContact NH2-OG1 2.82Å; D829-T833 WeakPolarHBondContact O-CB 3.45Å; D829-T833 PolarHBondContact O-N 3.29Å; D829-T833 PolarHBondContact O-OG1 2.86Å; V830-T833 CarbonylContact O-C 3.6Å; V830-T833 PolarHBondContact O-N 2.95Å |
| 834 | V | 62.3 | Low | 57.5 | Low | 5 Ų | 5 | 78.2 Ų | 78.2 | 3% | 0.03 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -94 | -4.6 | 178 | -53.6 | 0 | 0 | 0 | 0 | 113.6 | Q732 V785 F790 I797 V830 I836 | Q732-V834 WeakPolarHBondContact CG-O 3.29Å; Q732-V834 PolarHBondContact NE2-O 3.13Å; V785-V834 HydrophobicContact CB-CG1 4.35Å; V785-V834 HydrophobicContact CG1-CB 4.21Å; V785-V834 HydrophobicContact CG1-CG1 4Å; V785-V834 HydrophobicContact CG1-CG2 4.2Å; F790-V834 HydrophobicContact CD1-CB 4.14Å; F790-V834 HydrophobicContact CD1-CG1 4.45Å; F790-V834 HydrophobicContact CE1-CB 4.5Å; F790-V834 HydrophobicContact CE1-CG1 4.48Å; I797-V834 HydrophobicContact CD1-CG2 3.86Å; V830-V834 HydrophobicContact CG1-CG1 4.15Å; V830-V834 HydrophobicContact CG1-CG2 4.33Å; V830-V834 VanDerWaalsContact O-CG2 3.31Å; V830-V834 WeakPolarHBondContact O-CG2 3.37Å; V830-V834 PolarHBondContact O-N 3.3Å; V834-I836 HydrophobicContact CG2-CB 4.32Å; V834-I836 HydrophobicContact CG2-CD1 3.87Å; V834-I836 HydrophobicContact CG2-CG1 3.93Å |
| 835 | G | 56.5 | Low | 55.2 | Low | 16 Ų | 16 | 82.1 Ų | 82.1 | 17% | 0.165 | 45% | 0.453 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.7 | 46.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q732 C831 | Q732-G835 PolarHBondContact NE2-O 3.37Å; C831-G835 WeakPolarHBondContact O-CA 3.41Å; C831-G835 PolarHBondContact O-N 3.38Å |
| 836 | I | 59.1 | Low | 52.7 | Low | 38 Ų | 38 | 90.1 Ų | 90.1 | 20% | 0.195 | 48% | 0.484 | C | S | . | . | trans | -121.8 | 83.7 | -178.8 | -60.4 | -179.3 | 0 | 0 | 0 | 109.6 | H792 I797 C831 V834 | H792-I836 WeakPolarHBondContact O-CD1 3.47Å; I797-I836 HydrophobicContact CD1-CD1 4.12Å; C831-I836 PolarHBondContact O-N 2.95Å; V834-I836 HydrophobicContact CG2-CB 4.32Å; V834-I836 HydrophobicContact CG2-CD1 3.87Å; V834-I836 HydrophobicContact CG2-CG1 3.93Å | ||
| 837 | G | 40.7 | Very low | 50 | Low | 67 Ų | 67 | 94.1 Ų | 94.1 | 69% | 0.691 | 53% | 0.525 | S | S | * | . | trans | -140.3 | 141.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 838 | E | 37.4 | Very low | 47.4 | Very low | 194 Ų | 194 | 98.1 Ų | 98.1 | 91% | 0.907 | 57% | 0.567 | S | S | * | * | trans | -96.6 | 164.3 | -172.7 | -168.2 | 168.8 | -142.3 | 0 | 0 | 111.7 | ||||
| 839 | E | 40.1 | Very low | 45 | Very low | 193 Ų | 193 | 99.2 Ų | 99.2 | 90% | 0.902 | 60% | 0.596 | S | S | * | * | trans | -59.1 | 145.2 | 179.9 | -64.9 | -168.2 | 145.2 | 0 | 0 | 113 | ||||
| 840 | R | 28.8 | Very low | 42.7 | Very low | 247 Ų | 247 | 99.7 Ų | 99.7 | 93% | 0.932 | 62% | 0.618 | S | S | * | * | trans | -146.2 | 144.8 | 160.6 | -129.2 | 177.4 | -175.2 | -148.4 | -2.5 | 113.1 | ||||
| 841 | S | 25.7 | Very low | 40.5 | Very low | 109 Ų | 109 | 108.7 Ų | 108.7 | 76% | 0.762 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 162 | -174.5 | -41.3 | 0 | 0 | 0 | 0 | 112.9 | ||
| 842 | P | 35.3 | Very low | 38.2 | Very low | 120 Ų | 120 | 115.9 Ų | 115.9 | 78% | 0.779 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 150.2 | -164.5 | 30.6 | -36.3 | 0 | 0 | 0 | 113.6 | ||
| 843 | P | 31.3 | Very low | 36.3 | Very low | 127 Ų | 127 | 117.2 Ų | 117.2 | 83% | 0.825 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 148.1 | 167.9 | 33.3 | -33.6 | 0 | 0 | 0 | 111.8 | ||
| 844 | T | 28.9 | Very low | 34.8 | Very low | 140 Ų | 140 | 124.6 Ų | 124.6 | 86% | 0.859 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 162.1 | 175.9 | -30 | 0 | 0 | 0 | 0 | 112.3 | ||
| 845 | E | 31.1 | Very low | 33.8 | Very low | 189 Ų | 189 | 128.4 Ų | 128.4 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 136.6 | 165.8 | -55.4 | -179.6 | 137.4 | 0 | 0 | 111.5 | ||
| 846 | E | 30.1 | Very low | 33 | Very low | 203 Ų | 203 | 130.7 Ų | 130.7 | 95% | 0.949 | 82% | 0.816 | S | S | * | * | trans | -159.4 | 154.1 | 134.3 | -123.3 | 177.5 | -159.8 | 0 | 0 | 112.4 | ||||
| 847 | G | 26.9 | Very low | 32 | Very low | 84 Ų | 84 | 136.5 Ų | 136.5 | 87% | 0.866 | 84% | 0.843 | S | S | * | * | trans | -76.9 | 172.3 | -155.7 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 848 | G | 26.7 | Very low | 31.8 | Very low | 86 Ų | 86 | 142.2 Ų | 142.2 | 89% | 0.887 | 85% | 0.848 | S | S | * | * | trans | 164.9 | 114.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 849 | G | 26.1 | Very low | 31.8 | Very low | 90 Ų | 90 | 135.5 Ų | 135.5 | 93% | 0.928 | 83% | 0.831 | S | S | * | * | trans | -96.8 | 157.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 850 | G | 27 | Very low | 31.8 | Very low | 81 Ų | 81 | 134.6 Ų | 134.6 | 84% | 0.835 | 82% | 0.824 | S | S | * | * | trans | -176.9 | 129 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 851 | E | 28.1 | Very low | 32.3 | Very low | 190 Ų | 190 | 127.5 Ų | 127.5 | 89% | 0.888 | 81% | 0.808 | S | S | * | * | trans | -88.4 | 146.1 | -178.8 | -58.9 | 172.8 | 113.1 | 0 | 0 | 111.6 | ||||
| 852 | T | 26.4 | Very low | 33.1 | Very low | 150 Ų | 150 | 130.8 Ų | 130.8 | 92% | 0.92 | 81% | 0.805 | S | S | * | * | -171.6 | 166.7 | 128.6 | 15 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 853 | S | 31.1 | Very low | 33.4 | Very low | 109 Ų | 109 | 130.9 Ų | 130.9 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | trans | -80.7 | 146 | -175.9 | -176.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 854 | E | 32.2 | Very low | 34 | Very low | 178 Ų | 178 | 130.2 Ų | 130.2 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | -169.3 | 131.5 | 120.4 | -110.9 | -173.3 | -171.3 | 0 | 0 | 113.6 | |||||
| 855 | G | 41.2 | Very low | 34.8 | Very low | 85 Ų | 85 | 129.5 Ų | 129.5 | 88% | 0.876 | 77% | 0.773 | S | S | * | * | trans | -109.2 | 87.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 856 | G | 38.8 | Very low | 35.5 | Very low | 64 Ų | 64 | 123.1 Ų | 123.1 | 66% | 0.66 | 75% | 0.752 | S | S | * | * | trans | -148.4 | -2.7 | -168.8 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 857 | Q | 37.7 | Very low | 36.3 | Very low | 161 Ų | 161 | 119.1 Ų | 119.1 | 75% | 0.752 | 73% | 0.733 | S | S | * | * | trans | -120.2 | -8.3 | -166.4 | -64.7 | -166 | 5 | 0 | 0 | 118 | G859 | Q857-G859 VanDerWaalsContact C-N 3.35Å; Q857-G859 PolarHBondContact O-N 2.83Å | ||
| 858 | K | 37.3 | Very low | 37 | Very low | 187 Ų | 187 | 119.6 Ų | 119.6 | 81% | 0.813 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | -23.2 | -174.6 | -78.7 | -173 | 176.6 | 178.4 | 0 | 115.5 | Y862 | K858-Y862 WeakPolarHBondContact O-CD2 3.34Š|
| 859 | G | 37.6 | Very low | 38 | Very low | 52 Ų | 52 | 118.9 Ų | 118.9 | 54% | 0.536 | 69% | 0.691 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68.7 | -57.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q857 V861 Y862 | Q857-G859 VanDerWaalsContact C-N 3.35Å; Q857-G859 PolarHBondContact O-N 2.83Å; G859-V861 PolarHBondContact O-N 3.25Å; G859-Y862 PolarHBondContact O-N 3.06Å |
| 860 | K | 38.4 | Very low | 39 | Very low | 174 Ų | 174 | 121.2 Ų | 121.2 | 76% | 0.757 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -61.1 | -21.6 | -170.2 | -64.2 | -177.5 | 178.2 | 179.6 | 0 | 114.7 | L864 | K860-L864 WeakPolarHBondContact O-CB 3.44Å; K860-L864 PolarHBondContact O-N 3.46Å |
| 861 | V | 39.8 | Very low | 39.8 | Very low | 98 Ų | 98 | 121.7 Ų | 121.7 | 59% | 0.594 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -71.5 | -31.6 | 178.8 | -178.9 | 0 | 0 | 0 | 0 | 111.9 | G859 K865 | G859-V861 PolarHBondContact O-N 3.25Å; V861-K865 WeakPolarHBondContact O-CB 3.19Å; V861-K865 PolarHBondContact O-N 3.38Å; V861-K865 VanDerWaalsContact O-N 3.15Å |
| 862 | Y | 42.1 | Very low | 40.6 | Very low | 178 Ų | 178 | 115.9 Ų | 115.9 | 70% | 0.698 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -76.3 | -41.5 | 178 | -74.4 | -88.3 | 0 | 0 | 0 | 112.1 | K858 G859 K865 A866 | K858-Y862 WeakPolarHBondContact O-CD2 3.34Å; G859-Y862 PolarHBondContact O-N 3.06Å; Y862-K865 PolarHBondContact O-N 2.97Å; Y862-A866 WeakPolarHBondContact O-CB 2.9Å; Y862-A866 PolarHBondContact O-N 3.05Å |
| 863 | D | 42.3 | Very low | 41.6 | Very low | 122 Ų | 122 | 113.9 Ų | 113.9 | 65% | 0.652 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -60 | -48.4 | 174.3 | -73.5 | -37.1 | 0 | 0 | 0 | 111.7 | K865 A866 H867 | D863-K865 VanDerWaalsContact C-N 3.29Å; D863-K865 PolarHBondContact O-N 3.3Å; D863-A866 PolarHBondContact O-N 3Å; D863-H867 PolarHBondContact O-N 3.31Å |
| 864 | L | 44.6 | Very low | 42.3 | Very low | 113 Ų | 113 | 113 Ų | 113 | 59% | 0.592 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -63.9 | -37 | -179.9 | -173 | 63.9 | 0 | 0 | 0 | 111.6 | K860 H867 I868 | K860-L864 WeakPolarHBondContact O-CB 3.44Å; K860-L864 PolarHBondContact O-N 3.46Å; L864-H867 PolarHBondContact O-N 3.45Å; L864-I868 HydrophobicContact CG-CD1 4.17Å; L864-I868 WeakPolarHBondContact O-CD1 3.42Å; L864-I868 VanDerWaalsContact O-CG1 3.31Å; L864-I868 WeakPolarHBondContact O-CG1 3.47Å; L864-I868 PolarHBondContact O-N 2.89Å; L864-I868 VanDerWaalsContact O-N 3.1Å |
| 865 | K | 44.7 | Very low | 42.6 | Very low | 125 Ų | 125 | 110.5 Ų | 110.5 | 54% | 0.543 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -65.3 | -48.1 | 173.6 | -171.3 | -175.2 | 175.1 | -161.5 | 0 | 111.4 | V861 Y862 D863 H867 I868 D869 | V861-K865 WeakPolarHBondContact O-CB 3.19Å; V861-K865 PolarHBondContact O-N 3.38Å; V861-K865 VanDerWaalsContact O-N 3.15Å; Y862-K865 PolarHBondContact O-N 2.97Å; D863-K865 VanDerWaalsContact C-N 3.29Å; D863-K865 PolarHBondContact O-N 3.3Å; K865-H867 PolarHBondContact O-N 3.11Å; K865-I868 PolarHBondContact O-N 2.63Å; K865-D869 VanDerWaalsContact CE-OD2 3.28Å; K865-D869 WeakPolarHBondContact CE-OD2 3.47Å; K865-D869 IonicContact NZ-OD2 2.69Å; K865-D869 PolarHBondContact O-N 3.38Å |
| 866 | A | 46.8 | Very low | 42.6 | Very low | 55 Ų | 55 | 112.2 Ų | 112.2 | 46% | 0.455 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -58.2 | -35 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y862 D863 K870 | Y862-A866 WeakPolarHBondContact O-CB 2.9Å; Y862-A866 PolarHBondContact O-N 3.05Å; D863-A866 PolarHBondContact O-N 3Å; A866-K870 WeakPolarHBondContact O-CB 3.34Å; A866-K870 PolarHBondContact O-N 2.88Å |
| 867 | H | 46 | Very low | 42.9 | Very low | 120 Ų | 120 | 114.2 Ų | 114.2 | 56% | 0.556 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -71.5 | -35.6 | 175.9 | -151.3 | -88.9 | 0 | 0 | 0 | 113.2 | D863 L864 K865 L871 | D863-H867 PolarHBondContact O-N 3.31Å; L864-H867 PolarHBondContact O-N 3.45Å; K865-H867 PolarHBondContact O-N 3.11Å; H867-L871 WeakPolarHBondContact O-CG 3.12Å; H867-L871 PolarHBondContact O-N 2.83Å; H867-L871 VanDerWaalsContact O-N 3.11Å |
| 868 | I | 42.1 | Very low | 43.2 | Very low | 93 Ų | 93 | 110.3 Ų | 110.3 | 48% | 0.477 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -71.7 | -44.4 | 175.5 | -70.5 | 165.4 | 0 | 0 | 0 | 111.2 | L864 K865 K870 L871 T872 | L864-I868 HydrophobicContact CG-CD1 4.17Å; L864-I868 WeakPolarHBondContact O-CD1 3.42Å; L864-I868 VanDerWaalsContact O-CG1 3.31Å; L864-I868 WeakPolarHBondContact O-CG1 3.47Å; L864-I868 PolarHBondContact O-N 2.89Å; L864-I868 VanDerWaalsContact O-N 3.1Å; K865-I868 PolarHBondContact O-N 2.63Å; I868-K870 VanDerWaalsContact C-N 3.33Å; I868-K870 PolarHBondContact O-N 3.03Å; I868-L871 PolarHBondContact O-N 3.35Å; I868-T872 PolarHBondContact O-N 2.92Å; I868-T872 PolarHBondContact O-OG1 3.46Å |
| 869 | D | 48.5 | Very low | 43.4 | Very low | 71 Ų | 71 | 107.8 Ų | 107.8 | 38% | 0.38 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -59.5 | -47.4 | 176.4 | -65.8 | -14.2 | 0 | 0 | 0 | 109 | K865 L871 T872 D873 | K865-D869 VanDerWaalsContact CE-OD2 3.28Å; K865-D869 WeakPolarHBondContact CE-OD2 3.47Å; K865-D869 IonicContact NZ-OD2 2.69Å; K865-D869 PolarHBondContact O-N 3.38Å; D869-L871 PolarHBondContact O-N 3.16Å; D869-T872 WeakPolarHBondContact O-CA 3.46Å; D869-T872 VanDerWaalsContact O-CB 3.32Å; D869-T872 WeakPolarHBondContact O-CB 3.42Å; D869-T872 PolarHBondContact O-N 2.91Å; D869-D873 PolarHBondContact O-N 2.98Å |
| 870 | K | 47 | Very low | 43.9 | Very low | 140 Ų | 140 | 110 Ų | 110 | 61% | 0.609 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -62.8 | -34.8 | 178.1 | -163 | 173.3 | -167.8 | 177.9 | 0 | 114.4 | A866 I868 T872 I874 | A866-K870 WeakPolarHBondContact O-CB 3.34Å; A866-K870 PolarHBondContact O-N 2.88Å; I868-K870 VanDerWaalsContact C-N 3.33Å; I868-K870 PolarHBondContact O-N 3.03Å; K870-T872 VanDerWaalsContact C-N 3.34Å; K870-I874 WeakPolarHBondContact O-CD1 3.36Å; K870-I874 VanDerWaalsContact O-CG1 3.25Å; K870-I874 WeakPolarHBondContact O-CG1 3.12Å; K870-I874 PolarHBondContact O-N 3.29Å |
| 871 | L | 43.1 | Very low | 44 | Very low | 90 Ų | 90 | 106.3 Ų | 106.3 | 47% | 0.471 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -72.3 | -28.5 | 172.5 | -76.1 | 168.7 | 0 | 0 | 0 | 112.5 | H867 I868 D869 L875 | H867-L871 WeakPolarHBondContact O-CG 3.12Å; H867-L871 PolarHBondContact O-N 2.83Å; H867-L871 VanDerWaalsContact O-N 3.11Å; I868-L871 PolarHBondContact O-N 3.35Å; D869-L871 PolarHBondContact O-N 3.16Å; L871-L875 WeakPolarHBondContact O-CD1 3.46Å; L871-L875 PolarHBondContact O-N 3.28Å |
| 872 | T | 44.6 | Very low | 44 | Very low | 69 Ų | 69 | 105.9 Ų | 105.9 | 42% | 0.423 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -71.9 | -46.9 | 175.1 | -52.2 | 0 | 0 | 0 | 0 | 110.2 | I868 D869 K870 I874 L875 E876 | I868-T872 PolarHBondContact O-N 2.92Å; I868-T872 PolarHBondContact O-OG1 3.46Å; D869-T872 WeakPolarHBondContact O-CA 3.46Å; D869-T872 VanDerWaalsContact O-CB 3.32Å; D869-T872 WeakPolarHBondContact O-CB 3.42Å; D869-T872 PolarHBondContact O-N 2.91Å; K870-T872 VanDerWaalsContact C-N 3.34Å; T872-I874 VanDerWaalsContact C-N 3.31Å; T872-I874 PolarHBondContact O-N 3.45Å; T872-L875 PolarHBondContact O-N 3.26Å; T872-L875 VanDerWaalsContact O-N 3.09Å; T872-E876 PolarHBondContact O-N 3.01Å |
| 873 | D | 47.1 | Very low | 44.1 | Very low | 107 Ų | 107 | 101.5 Ų | 101.5 | 57% | 0.572 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -55.6 | -45.3 | 174.9 | -65.1 | -19.3 | 0 | 0 | 0 | 111.3 | D869 L875 E876 E877 | D869-D873 PolarHBondContact O-N 2.98Å; D873-L875 PolarHBondContact O-N 3.38Å; D873-E876 PolarHBondContact O-N 3.36Å; D873-E877 WeakPolarHBondContact O-CB 3.35Å; D873-E877 PolarHBondContact O-N 3.49Å |
| 874 | I | 45.3 | Very low | 44.2 | Very low | 91 Ų | 91 | 101.2 Ų | 101.2 | 47% | 0.467 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.2 | -39.2 | 176.8 | -70.4 | 165.5 | 0 | 0 | 0 | 111.9 | K870 T872 V878 | K870-I874 WeakPolarHBondContact O-CD1 3.36Å; K870-I874 VanDerWaalsContact O-CG1 3.25Å; K870-I874 WeakPolarHBondContact O-CG1 3.12Å; K870-I874 PolarHBondContact O-N 3.29Å; T872-I874 VanDerWaalsContact C-N 3.31Å; T872-I874 PolarHBondContact O-N 3.45Å; I874-V878 WeakPolarHBondContact O-CB 3.37Å; I874-V878 VanDerWaalsContact O-CG2 3.31Å; I874-V878 WeakPolarHBondContact O-CG2 3.47Å; I874-V878 PolarHBondContact O-N 2.81Å |
| 875 | L | 39.3 | Very low | 44.2 | Very low | 126 Ų | 126 | 101 Ų | 101 | 66% | 0.66 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -68.9 | -35.1 | 175.8 | -104.5 | 86.9 | 0 | 0 | 0 | 112.7 | L871 T872 D873 K879 | L871-L875 WeakPolarHBondContact O-CD1 3.46Å; L871-L875 PolarHBondContact O-N 3.28Å; T872-L875 PolarHBondContact O-N 3.26Å; T872-L875 VanDerWaalsContact O-N 3.09Å; D873-L875 PolarHBondContact O-N 3.38Å; L875-K879 WeakPolarHBondContact O-CB 3.39Å; L875-K879 PolarHBondContact O-N 2.99Å; L875-K879 VanDerWaalsContact O-N 3.1Å |
| 876 | E | 42.3 | Very low | 44.1 | Very low | 120 Ų | 120 | 100.1 Ų | 100.1 | 56% | 0.561 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -74.7 | -36.4 | 176.5 | -64.4 | -156.4 | 152.1 | 0 | 0 | 112.1 | T872 D873 K879 L880 | T872-E876 PolarHBondContact O-N 3.01Å; D873-E876 PolarHBondContact O-N 3.36Å; E876-K879 PolarHBondContact O-N 2.98Å; E876-L880 WeakPolarHBondContact O-CB 3.3Å; E876-L880 WeakPolarHBondContact O-CG 3.28Å; E876-L880 PolarHBondContact O-N 3.31Å |
| 877 | E | 45.1 | Very low | 44.3 | Very low | 107 Ų | 107 | 104.1 Ų | 104.1 | 50% | 0.5 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.4 | -49.7 | 172 | -171.5 | 78.4 | -125.8 | 0 | 0 | 111.4 | D873 K879 L880 Q881 | D873-E877 WeakPolarHBondContact O-CB 3.35Å; D873-E877 PolarHBondContact O-N 3.49Å; E877-K879 VanDerWaalsContact C-N 3.27Å; E877-K879 PolarHBondContact O-N 2.78Å; E877-L880 PolarHBondContact O-N 3.46Å; E877-Q881 PolarHBondContact O-N 3.33Å |
| 878 | V | 43.2 | Very low | 44.2 | Very low | 79 Ų | 79 | 104 Ų | 104 | 48% | 0.479 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.9 | -37.3 | 175.8 | 168.6 | 0 | 0 | 0 | 0 | 111.5 | I874 Q881 N882 | I874-V878 WeakPolarHBondContact O-CB 3.37Å; I874-V878 VanDerWaalsContact O-CG2 3.31Å; I874-V878 WeakPolarHBondContact O-CG2 3.47Å; I874-V878 PolarHBondContact O-N 2.81Å; V878-Q881 PolarHBondContact O-N 3.15Å; V878-N882 VanDerWaalsContact O-CG 3.31Å; V878-N882 PolarHBondContact O-N 3.26Å |
| 879 | K | 40.4 | Very low | 44.5 | Very low | 133 Ų | 133 | 103 Ų | 103 | 58% | 0.578 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -71.7 | -35.5 | 177.8 | -172.2 | 178.1 | -179.3 | -174.3 | 0 | 112.6 | L875 E876 E877 N883 | L875-K879 WeakPolarHBondContact O-CB 3.39Å; L875-K879 PolarHBondContact O-N 2.99Å; L875-K879 VanDerWaalsContact O-N 3.1Å; E876-K879 PolarHBondContact O-N 2.98Å; E877-K879 VanDerWaalsContact C-N 3.27Å; E877-K879 PolarHBondContact O-N 2.78Å; K879-N883 WeakPolarHBondContact O-CB 3.48Å; K879-N883 PolarHBondContact O-N 3.38Å; K879-N883 PolarHBondContact O-ND2 2.86Å; K879-N883 PolarHBondContact O-OD1 3.33Å |
| 880 | L | 49.1 | Very low | 44.4 | Very low | 100 Ų | 100 | 105.6 Ų | 105.6 | 52% | 0.524 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.2 | -45.8 | 171.2 | -81.3 | 162.1 | 0 | 0 | 0 | 111.1 | E876 E877 N882 N883 M884 | E876-L880 WeakPolarHBondContact O-CB 3.3Å; E876-L880 WeakPolarHBondContact O-CG 3.28Å; E876-L880 PolarHBondContact O-N 3.31Å; E877-L880 PolarHBondContact O-N 3.46Å; L880-N882 VanDerWaalsContact C-N 3.34Å; L880-N882 PolarHBondContact O-N 3.1Å; L880-N883 PolarHBondContact O-N 3.08Å; L880-M884 WeakPolarHBondContact O-CG 3.3Å; L880-M884 PolarHBondContact O-N 3.22Å |
| 881 | Q | 40.1 | Very low | 44.7 | Very low | 95 Ų | 95 | 101.1 Ų | 101.1 | 44% | 0.444 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.6 | -36.8 | 177.1 | -70.1 | -164.6 | 9.8 | 0 | 0 | 113.2 | E877 V878 K885 | E877-Q881 PolarHBondContact O-N 3.33Å; V878-Q881 PolarHBondContact O-N 3.15Å; Q881-K885 VanDerWaalsContact O-CG 3.32Å; Q881-K885 WeakPolarHBondContact O-CG 3.25Å; Q881-K885 PolarHBondContact O-N 2.87Å; Q881-K885 VanDerWaalsContact O-N 3.13Å |
| 882 | N | 39.5 | Very low | 44.7 | Very low | 89 Ų | 89 | 101.4 Ų | 101.4 | 48% | 0.476 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -67.6 | -44.5 | 173.7 | -72.3 | -12.1 | 0 | 0 | 0 | 111.7 | V878 L880 M884 K885 D886 | V878-N882 VanDerWaalsContact O-CG 3.31Å; V878-N882 PolarHBondContact O-N 3.26Å; L880-N882 VanDerWaalsContact C-N 3.34Å; L880-N882 PolarHBondContact O-N 3.1Å; N882-M884 PolarHBondContact O-N 2.62Å; N882-K885 PolarHBondContact O-N 2.78Å; N882-D886 PolarHBondContact O-N 3.18Å |
| 883 | N | 45.1 | Very low | 44.6 | Very low | 86 Ų | 86 | 105.7 Ų | 105.7 | 46% | 0.46 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.2 | -41.7 | 176.4 | -71.5 | -9.9 | 0 | 0 | 0 | 112.4 | K879 L880 D886 E887 | K879-N883 WeakPolarHBondContact O-CB 3.48Å; K879-N883 PolarHBondContact O-N 3.38Å; K879-N883 PolarHBondContact O-ND2 2.86Å; K879-N883 PolarHBondContact O-OD1 3.33Å; L880-N883 PolarHBondContact O-N 3.08Å; N883-D886 PolarHBondContact O-N 3.32Å; N883-E887 PolarHBondContact O-N 2.87Å |
| 884 | M | 43.8 | Very low | 44.6 | Very low | 116 Ų | 116 | 105.1 Ų | 105.1 | 57% | 0.571 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.6 | -43.2 | 177.1 | -74.2 | 178.3 | 64.9 | 0 | 0 | 111.4 | L880 N882 D886 E887 E888 | L880-M884 WeakPolarHBondContact O-CG 3.3Å; L880-M884 PolarHBondContact O-N 3.22Å; N882-M884 PolarHBondContact O-N 2.62Å; M884-D886 PolarHBondContact O-N 3.12Å; M884-E887 PolarHBondContact O-N 3.2Å; M884-E887 VanDerWaalsContact O-N 3.16Å; M884-E888 WeakPolarHBondContact O-CG 3.29Å; M884-E888 PolarHBondContact O-N 2.85Å |
| 885 | K | 44.2 | Very low | 44.7 | Very low | 110 Ų | 110 | 107.8 Ų | 107.8 | 48% | 0.478 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.2 | -36.8 | 176 | -72.6 | 172.2 | -179.3 | 178 | 0 | 112.5 | Q881 N882 E887 E888 I889 | Q881-K885 VanDerWaalsContact O-CG 3.32Å; Q881-K885 WeakPolarHBondContact O-CG 3.25Å; Q881-K885 PolarHBondContact O-N 2.87Å; Q881-K885 VanDerWaalsContact O-N 3.13Å; N882-K885 PolarHBondContact O-N 2.78Å; K885-E887 VanDerWaalsContact C-N 3.32Å; K885-E887 PolarHBondContact O-N 2.99Å; K885-E888 PolarHBondContact O-N 3.06Å; K885-I889 WeakPolarHBondContact O-CB 3.43Å; K885-I889 WeakPolarHBondContact O-CD1 3.48Å; K885-I889 WeakPolarHBondContact O-CG1 3.42Å; K885-I889 PolarHBondContact O-N 3Å |
| 886 | D | 43.5 | Very low | 44.9 | Very low | 106 Ų | 106 | 106.4 Ų | 106.4 | 57% | 0.567 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.1 | -35.7 | 172.3 | -83.9 | -26.4 | 0 | 0 | 0 | 112.1 | N882 N883 M884 K890 | N882-D886 PolarHBondContact O-N 3.18Å; N883-D886 PolarHBondContact O-N 3.32Å; M884-D886 PolarHBondContact O-N 3.12Å; D886-K890 VanDerWaalsContact O-CB 3.3Å; D886-K890 WeakPolarHBondContact O-CB 3.45Å; D886-K890 PolarHBondContact O-N 3.12Å |
| 887 | E | 51.5 | Low | 45.2 | Very low | 139 Ų | 139 | 105.4 Ų | 105.4 | 65% | 0.65 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -72.1 | -36.7 | 173.5 | -69.8 | -166 | 142.3 | 0 | 0 | 112.7 | N883 M884 K885 K890 A891 | N883-E887 PolarHBondContact O-N 2.87Å; M884-E887 PolarHBondContact O-N 3.2Å; M884-E887 VanDerWaalsContact O-N 3.16Å; K885-E887 VanDerWaalsContact C-N 3.32Å; K885-E887 PolarHBondContact O-N 2.99Å; E887-K890 PolarHBondContact O-N 3.26Å; E887-A891 WeakPolarHBondContact O-CB 3.01Å; E887-A891 PolarHBondContact O-N 2.86Å |
| 888 | E | 44.2 | Very low | 45.2 | Very low | 116 Ų | 116 | 107.5 Ų | 107.5 | 54% | 0.542 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.9 | -45.8 | 171.6 | -71.9 | 177.9 | 141.1 | 0 | 0 | 112.1 | M884 K885 K890 A891 L892 | M884-E888 WeakPolarHBondContact O-CG 3.29Å; M884-E888 PolarHBondContact O-N 2.85Å; K885-E888 PolarHBondContact O-N 3.06Å; E888-K890 VanDerWaalsContact C-N 3.25Å; E888-K890 PolarHBondContact O-N 2.89Å; E888-A891 CarbonylContact O-C 3.45Å; E888-A891 PolarHBondContact O-N 2.99Å; E888-A891 VanDerWaalsContact O-N 3.15Å; E888-L892 WeakPolarHBondContact O-CB 3.38Å; E888-L892 WeakPolarHBondContact O-CG 3.49Å; E888-L892 PolarHBondContact O-N 3.07Å |
| 889 | I | 47 | Very low | 44.9 | Very low | 72 Ų | 72 | 110.1 Ų | 110.1 | 37% | 0.369 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.1 | -38 | 175 | -72.3 | 164.6 | 0 | 0 | 0 | 110.7 | K885 L892 R893 | K885-I889 WeakPolarHBondContact O-CB 3.43Å; K885-I889 WeakPolarHBondContact O-CD1 3.48Å; K885-I889 WeakPolarHBondContact O-CG1 3.42Å; K885-I889 PolarHBondContact O-N 3Å; I889-L892 PolarHBondContact O-N 3.02Å; I889-R893 WeakPolarHBondContact O-CG 3.48Å; I889-R893 PolarHBondContact O-N 3.22Å |
| 890 | K | 47.4 | Very low | 44.9 | Very low | 127 Ų | 127 | 110.1 Ų | 110.1 | 55% | 0.552 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -67.4 | -45.4 | 173.5 | -174.9 | -173.2 | 168.8 | -157.3 | 0 | 111.8 | D886 E887 E888 L892 R893 D894 | D886-K890 VanDerWaalsContact O-CB 3.3Å; D886-K890 WeakPolarHBondContact O-CB 3.45Å; D886-K890 PolarHBondContact O-N 3.12Å; E887-K890 PolarHBondContact O-N 3.26Å; E888-K890 VanDerWaalsContact C-N 3.25Å; E888-K890 PolarHBondContact O-N 2.89Å; K890-L892 PolarHBondContact O-N 3.16Å; K890-R893 PolarHBondContact O-N 3.34Å; K890-R893 VanDerWaalsContact O-N 3.16Å; K890-D894 WeakPolarHBondContact O-CB 3.3Å; K890-D894 PolarHBondContact O-N 3.03Å |
| 891 | A | 52.3 | Low | 44.4 | Very low | 45 Ų | 45 | 109.7 Ų | 109.7 | 37% | 0.372 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67 | -22.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | E887 E888 R895 | E887-A891 WeakPolarHBondContact O-CB 3.01Å; E887-A891 PolarHBondContact O-N 2.86Å; E888-A891 CarbonylContact O-C 3.45Å; E888-A891 PolarHBondContact O-N 2.99Å; E888-A891 VanDerWaalsContact O-N 3.15Å; A891-R895 WeakPolarHBondContact O-CB 3.46Å; A891-R895 VanDerWaalsContact O-CG 3.31Å; A891-R895 WeakPolarHBondContact O-CG 3.5Å; A891-R895 PolarHBondContact O-N 2.85Å; A891-R895 PolarHBondContact O-NE 3.18Å |
| 892 | L | 44.4 | Very low | 44.5 | Very low | 97 Ų | 97 | 111.4 Ų | 111.4 | 51% | 0.508 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -74.7 | -44.8 | 168.7 | -76.3 | 162.9 | 0 | 0 | 0 | 111.3 | E888 I889 K890 R895 M896 | E888-L892 WeakPolarHBondContact O-CB 3.38Å; E888-L892 WeakPolarHBondContact O-CG 3.49Å; E888-L892 PolarHBondContact O-N 3.07Å; I889-L892 PolarHBondContact O-N 3.02Å; K890-L892 PolarHBondContact O-N 3.16Å; L892-R895 PolarHBondContact O-N 3.34Å; L892-M896 WeakPolarHBondContact O-CB 3.25Å; L892-M896 PolarHBondContact O-N 2.86Å |
| 893 | R | 42 | Very low | 44.1 | Very low | 159 Ų | 159 | 113.9 Ų | 113.9 | 60% | 0.6 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.4 | -43.5 | 175.3 | -74 | 170.9 | 174.8 | 156.8 | 1.1 | 112.9 | I889 K890 R895 M896 I897 | I889-R893 WeakPolarHBondContact O-CG 3.48Å; I889-R893 PolarHBondContact O-N 3.22Å; K890-R893 PolarHBondContact O-N 3.34Å; K890-R893 VanDerWaalsContact O-N 3.16Å; R893-R895 PolarHBondContact O-N 3.01Å; R893-M896 WeakPolarHBondContact O-CB 3.49Å; R893-M896 PolarHBondContact O-N 3.31Å; R893-I897 WeakPolarHBondContact O-CG1 3.39Å; R893-I897 PolarHBondContact O-N 3.35Å |
| 894 | D | 46.7 | Very low | 43.5 | Very low | 94 Ų | 94 | 115 Ų | 115 | 50% | 0.503 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -66 | -26.1 | 176.4 | -70.8 | -21 | 0 | 0 | 0 | 111.8 | K890 | K890-D894 WeakPolarHBondContact O-CB 3.3Å; K890-D894 PolarHBondContact O-N 3.03Å |
| 895 | R | 46.9 | Very low | 43 | Very low | 147 Ų | 147 | 115.1 Ų | 115.1 | 56% | 0.555 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -76.6 | -41.5 | 169 | -81.7 | -177.1 | -74.7 | 174.1 | -4 | 112.8 | A891 L892 R893 K898 M899 | A891-R895 WeakPolarHBondContact O-CB 3.46Å; A891-R895 VanDerWaalsContact O-CG 3.31Å; A891-R895 WeakPolarHBondContact O-CG 3.5Å; A891-R895 PolarHBondContact O-N 2.85Å; A891-R895 PolarHBondContact O-NE 3.18Å; L892-R895 PolarHBondContact O-N 3.34Å; R893-R895 PolarHBondContact O-N 3.01Å; R895-K898 WeakPolarHBondContact O-CA 3.47Å; R895-K898 VanDerWaalsContact O-CB 3.31Å; R895-K898 WeakPolarHBondContact O-CB 3.31Å; R895-K898 PolarHBondContact O-N 3.02Å; R895-K898 VanDerWaalsContact O-N 3.08Å; R895-M899 PolarHBondContact O-N 3.16Å |
| 896 | M | 43.5 | Very low | 42.4 | Very low | 98 Ų | 98 | 118.3 Ų | 118.3 | 48% | 0.483 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -58.5 | -50.6 | 178.5 | -167.4 | -174.4 | 87.7 | 0 | 0 | 111.5 | L892 R893 K898 M899 E900 | L892-M896 WeakPolarHBondContact O-CB 3.25Å; L892-M896 PolarHBondContact O-N 2.86Å; R893-M896 WeakPolarHBondContact O-CB 3.49Å; R893-M896 PolarHBondContact O-N 3.31Å; M896-K898 PolarHBondContact O-N 2.99Å; M896-K898 VanDerWaalsContact O-N 3.16Å; M896-M899 PolarHBondContact O-N 3.25Å; M896-E900 PolarHBondContact O-N 3.08Å |
| 897 | I | 48.7 | Very low | 41.8 | Very low | 99 Ų | 99 | 120.4 Ų | 120.4 | 51% | 0.508 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -58.2 | -30.2 | 175.6 | -66 | 164.6 | 0 | 0 | 0 | 111.6 | R893 | R893-I897 WeakPolarHBondContact O-CG1 3.39Å; R893-I897 PolarHBondContact O-N 3.35Å |
| 898 | K | 45.2 | Very low | 40.8 | Very low | 151 Ų | 151 | 120.9 Ų | 120.9 | 66% | 0.657 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -75 | -34.7 | 177.7 | -154.2 | 173.4 | -176.9 | -174.4 | 0 | 112.2 | R895 M896 S901 | R895-K898 WeakPolarHBondContact O-CA 3.47Å; R895-K898 VanDerWaalsContact O-CB 3.31Å; R895-K898 WeakPolarHBondContact O-CB 3.31Å; R895-K898 PolarHBondContact O-N 3.02Å; R895-K898 VanDerWaalsContact O-N 3.08Å; M896-K898 PolarHBondContact O-N 2.99Å; M896-K898 VanDerWaalsContact O-N 3.16Å; K898-S901 PolarHBondContact O-N 2.73Å; K898-S901 PolarHBondContact O-OG 3.06Å |
| 899 | M | 37.7 | Very low | 40.2 | Very low | 133 Ų | 133 | 123.4 Ų | 123.4 | 66% | 0.655 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -72.7 | -36.7 | 172.8 | -63.6 | -167.5 | -61.6 | 0 | 0 | 112.6 | R895 M896 S901 I902 | R895-M899 PolarHBondContact O-N 3.16Å; M896-M899 PolarHBondContact O-N 3.25Å; M899-S901 PolarHBondContact O-N 3.06Å; M899-I902 PolarHBondContact O-N 3.04Å |
| 900 | E | 39.1 | Very low | 39.5 | Very low | 133 Ų | 133 | 127.5 Ų | 127.5 | 62% | 0.621 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.8 | -20.5 | 173.7 | -71.1 | 175.3 | 160 | 0 | 0 | 113.1 | M896 | M896-E900 PolarHBondContact O-N 3.08Š|
| 901 | S | 38.5 | Very low | 38.7 | Very low | 92 Ų | 92 | 129.8 Ų | 129.8 | 64% | 0.643 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | 0.9 | -177.7 | 74 | 0 | 0 | 0 | 0 | 115.8 | K898 M899 | K898-S901 PolarHBondContact O-N 2.73Å; K898-S901 PolarHBondContact O-OG 3.06Å; M899-S901 PolarHBondContact O-N 3.06Å |
| 902 | I | 43.3 | Very low | 37.5 | Very low | 130 Ų | 130 | 130.9 Ų | 130.9 | 67% | 0.667 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -110.9 | -10.1 | -165.2 | -65.1 | 176.7 | 0 | 0 | 0 | 114.2 | M899 | M899-I902 PolarHBondContact O-N 3.04Š|
| 903 | I | 30.6 | Very low | 36.7 | Very low | 142 Ų | 142 | 136.1 Ų | 136.1 | 73% | 0.728 | 70% | 0.703 | S | S | * | * | trans | -106.1 | 118.8 | -179.1 | -57.2 | 179.4 | 0 | 0 | 0 | 110.8 | ||||
| 904 | P | 33.6 | Very low | 36 | Very low | 109 Ų | 109 | 132.5 Ų | 132.5 | 71% | 0.708 | 71% | 0.714 | S | S | * | * | trans | -75.7 | 138.2 | 169.9 | 31.7 | -32.7 | 0 | 0 | 0 | 110.7 | ||||
| 905 | V | 32.8 | Very low | 34.9 | Very low | 118 Ų | 118 | 131.5 Ų | 131.5 | 72% | 0.715 | 73% | 0.726 | S | S | * | * | trans | -85.6 | 125.3 | 169.5 | -179.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 906 | Q | 31.8 | Very low | 33.9 | Very low | 178 Ų | 178 | 133.6 Ų | 133.6 | 83% | 0.832 | 74% | 0.742 | S | S | * | * | trans | -109.5 | 128.7 | 159.1 | -70.7 | -177.7 | -96.1 | 0 | 0 | 107.2 | ||||
| 907 | D | 30.8 | Very low | 33 | Very low | 150 Ų | 150 | 134.4 Ų | 134.4 | 80% | 0.802 | 76% | 0.757 | S | S | * | * | trans | -91.1 | 114.5 | 175.4 | -59.6 | -62.3 | 0 | 0 | 0 | 108.7 | ||||
| 908 | D | 29.9 | Very low | 32 | Very low | 148 Ų | 148 | 133.9 Ų | 133.9 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | trans | -92 | 106.7 | 172.7 | -86.6 | -43.6 | 0 | 0 | 0 | 110.3 | ||||
| 909 | D | 32.1 | Very low | 31.1 | Very low | 169 Ų | 169 | 134.2 Ų | 134.2 | 90% | 0.904 | 77% | 0.772 | S | S | * | * | trans | -111.5 | 94.9 | 169.4 | -125.2 | -21.4 | 0 | 0 | 0 | 108.9 | ||||
| 910 | M | 33.1 | Very low | 30.5 | Very low | 158 Ų | 158 | 137 Ų | 137 | 78% | 0.778 | 78% | 0.775 | S | S | * | * | trans | -96.7 | 121.2 | -179 | -88.2 | -79.9 | -174.1 | 0 | 0 | 111.4 | ||||
| 911 | N | 29.2 | Very low | 29.9 | Very low | 176 Ų | 176 | 139.2 Ų | 139.2 | 94% | 0.941 | 79% | 0.785 | S | S | * | * | trans | 179.6 | 146.6 | 141.7 | -98.9 | -51.8 | 0 | 0 | 0 | 113.1 | ||||
| 912 | G | 27.2 | Very low | 29.3 | Very low | 67 Ų | 67 | 138.6 Ų | 138.6 | 69% | 0.691 | 79% | 0.794 | S | S | * | * | trans | 117.3 | 77.2 | 148.2 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 913 | E | 28.7 | Very low | 28.5 | Very low | 208 Ų | 208 | 136.4 Ų | 136.4 | 97% | 0.972 | 80% | 0.803 | S | S | * | * | trans | 57.9 | 154.6 | 141.9 | -53.9 | -172.8 | 140.7 | 0 | 0 | 121.9 | ||||
| 914 | G | 26.1 | Very low | 28.5 | Very low | 82 Ų | 82 | 133.3 Ų | 133.3 | 85% | 0.845 | 81% | 0.807 | S | S | * | * | trans | 126.6 | 114.6 | 163.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 915 | G | 25 | Very low | 28.4 | Very low | 73 Ų | 73 | 136.8 Ų | 136.8 | 75% | 0.753 | 82% | 0.818 | S | S | * | * | trans | -102 | 168.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 916 | E | 26.1 | Very low | 28.7 | Very low | 192 Ų | 192 | 137 Ų | 137 | 90% | 0.897 | 82% | 0.815 | S | S | * | * | trans | 73.5 | 145.5 | 153.7 | -57.2 | -161.3 | 116.9 | 0 | 0 | 122.5 | ||||
| 917 | S | 24.4 | Very low | 28.8 | Very low | 114 Ų | 114 | 134.9 Ų | 134.9 | 80% | 0.797 | 81% | 0.81 | S | S | * | * | trans | 83.9 | 77.9 | 152.5 | 69.8 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 918 | A | 26.9 | Very low | 29.4 | Very low | 89 Ų | 89 | 133.1 Ų | 133.1 | 74% | 0.736 | 81% | 0.805 | S | S | * | * | 55.2 | 124.8 | 113.4 | 0 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 919 | Q | 25.6 | Very low | 30.3 | Very low | 157 Ų | 157 | 133.3 Ų | 133.3 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | trans | 71.2 | 146.6 | 158 | -56.3 | -175.1 | 21.4 | 0 | 0 | 116.4 | ||||
| 920 | R | 25.9 | Very low | 30.9 | Very low | 192 Ų | 192 | 127.9 Ų | 127.9 | 73% | 0.725 | 78% | 0.777 | S | S | * | * | cis | -150.9 | 156 | 13.4 | -153.2 | 174.4 | -88.7 | -170.8 | -7.5 | 112.8 | ||||
| 921 | E | 27.5 | Very low | 31.9 | Very low | 179 Ų | 179 | 123.8 Ų | 123.8 | 84% | 0.836 | 76% | 0.762 | S | S | * | * | trans | 5.8 | 142 | 157.2 | -60.7 | 163.4 | 140.7 | 0 | 0 | 121.1 | ||||
| 922 | G | 25.6 | Very low | 33.1 | Very low | 79 Ų | 79 | 120.1 Ų | 120.1 | 81% | 0.814 | 75% | 0.748 | S | S | * | * | trans | 170.4 | 48.2 | 159 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 923 | G | 25.9 | Very low | 34.2 | Very low | 84 Ų | 84 | 124.7 Ų | 124.7 | 87% | 0.866 | 75% | 0.751 | S | S | * | * | trans | 56.2 | 109.9 | 157.2 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 924 | G | 29.5 | Very low | 35.4 | Very low | 78 Ų | 78 | 118 Ų | 118 | 80% | 0.804 | 72% | 0.724 | S | S | * | * | trans | -93.9 | 178.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 925 | L | 32.7 | Very low | 37 | Very low | 181 Ų | 181 | 122 Ų | 122 | 95% | 0.948 | 71% | 0.714 | S | S | * | * | trans | -158.6 | 164.4 | 147.5 | -110.4 | 167.9 | 0 | 0 | 0 | 110.6 | ||||
| 926 | D | 38.9 | Very low | 38.9 | Very low | 122 Ų | 122 | 120 Ų | 120 | 65% | 0.652 | 69% | 0.687 | S | S | * | * | trans | -80.7 | 150 | -172.5 | 176 | 29.2 | 0 | 0 | 0 | 113.3 | T928 | D926-T928 PolarHBondContact OD1-N 2.7Å; D926-T928 VanDerWaalsContact OD1-N 3.13Å | ||
| 927 | D | 34.1 | Very low | 40.5 | Very low | 134 Ų | 134 | 116.8 Ų | 116.8 | 72% | 0.717 | 67% | 0.672 | S | S | * | * | trans | -154.9 | 55.9 | 167.5 | -164.3 | 3.5 | 0 | 0 | 0 | 112.9 | N929 | D927-N929 PolarHBondContact O-N 3.49Š| ||
| 928 | T | 42.9 | Very low | 42.6 | Very low | 114 Ų | 114 | 116.7 Ų | 116.7 | 70% | 0.699 | 65% | 0.654 | S | S | * | * | trans | -89.7 | 57.7 | 170.4 | 64.9 | 0 | 0 | 0 | 0 | 113.5 | D926 | D926-T928 PolarHBondContact OD1-N 2.7Å; D926-T928 VanDerWaalsContact OD1-N 3.13Å | ||
| 929 | N | 48.8 | Very low | 44.5 | Very low | 151 Ų | 151 | 115.7 Ų | 115.7 | 81% | 0.807 | 64% | 0.636 | S | S | * | * | trans | -152.2 | 24.1 | 172.7 | -112.4 | -45.5 | 0 | 0 | 0 | 118.1 | D927 P931 | D927-N929 PolarHBondContact O-N 3.49Å; N929-P931 WeakPolarHBondContact O-CD 3.31Å | ||
| 930 | D | 45.1 | Very low | 46.5 | Very low | 56 Ų | 56 | 109.8 Ų | 109.8 | 30% | 0.299 | 61% | 0.609 | S | S | . | * | trans | -69 | 122.4 | 179.6 | -158.7 | 5.6 | 0 | 0 | 0 | 112.5 | V934 R938 | D930-V934 WeakPolarHBondContact OD1-CG1 3.46Å; D930-R938 IonicContact OD2-CZ 2.64Å; D930-R938 IonicContact OD2-NH1 3.59Å; D930-R938 PolarHBondContact OD2-NH1 3.21Å; D930-R938 IonicContact OD2-NH2 3.4Å; D930-R938 PolarHBondContact OD2-NH2 3.26Å | ||
| 931 | P | 53.3 | Low | 48.1 | Very low | 71 Ų | 71 | 105.3 Ų | 105.3 | 46% | 0.461 | 60% | 0.599 | S | S | . | * | trans | -59.7 | 148 | -173 | -27.3 | 35.6 | 0 | 0 | 0 | 114.7 | N929 E933 V934 R935 | N929-P931 WeakPolarHBondContact O-CD 3.31Å; P931-E933 PolarHBondContact O-N 2.87Å; P931-E933 VanDerWaalsContact O-N 3.08Å; P931-V934 HydrophobicContact CB-CG2 4.37Å; P931-V934 PolarHBondContact O-N 3.49Å; P931-R935 PolarHBondContact O-N 3.37Å; P931-R935 VanDerWaalsContact O-N 3.13Å | ||
| 932 | P | 54 | Low | 49.4 | Very low | 100 Ų | 100 | 103.3 Ų | 103.3 | 65% | 0.649 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -61.5 | -27.9 | -172.7 | 23.8 | -34.4 | 0 | 0 | 0 | 113.6 | V936 | P932-V936 VanDerWaalsContact O-CB 3.25Å; P932-V936 WeakPolarHBondContact O-CB 3.35Å; P932-V936 WeakPolarHBondContact O-CG2 3.35Å; P932-V936 PolarHBondContact O-N 2.97Å |
| 933 | E | 50.9 | Low | 51.6 | Low | 163 Ų | 163 | 102.5 Ų | 102.5 | 76% | 0.762 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -71.1 | -38 | 176.7 | -61.4 | -174 | 135.3 | 0 | 0 | 112.3 | P931 V936 Q937 | P931-E933 PolarHBondContact O-N 2.87Å; P931-E933 VanDerWaalsContact O-N 3.08Å; E933-V936 PolarHBondContact O-N 3.36Å; E933-Q937 PolarHBondContact O-N 3.24Å |
| 934 | V | 54.3 | Low | 53 | Low | 67 Ų | 67 | 102 Ų | 102 | 41% | 0.406 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -68.5 | -45.8 | 176.3 | -178.2 | 0 | 0 | 0 | 0 | 110.3 | D930 P931 V936 Q937 R938 | D930-V934 WeakPolarHBondContact OD1-CG1 3.46Å; P931-V934 HydrophobicContact CB-CG2 4.37Å; P931-V934 PolarHBondContact O-N 3.49Å; V934-V936 VanDerWaalsContact C-N 3.27Å; V934-V936 PolarHBondContact O-N 2.92Å; V934-Q937 WeakPolarHBondContact O-CB 3.49Å; V934-Q937 PolarHBondContact O-N 3.41Å; V934-Q937 VanDerWaalsContact O-N 3.09Å; V934-R938 PolarHBondContact O-N 3.11Å |
| 935 | R | 60.4 | Low | 54.4 | Low | 166 Ų | 166 | 101.2 Ų | 101.2 | 63% | 0.626 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -59.7 | -37.5 | 174.6 | -166.7 | 172.3 | -173.3 | 158.2 | 1.5 | 112.2 | P931 L939 | P931-R935 PolarHBondContact O-N 3.37Å; P931-R935 VanDerWaalsContact O-N 3.13Å; R935-L939 HydrophobicContact CG-CD1 4.46Å; R935-L939 WeakPolarHBondContact O-CB 3.33Å; R935-L939 WeakPolarHBondContact O-CG 3.5Å; R935-L939 PolarHBondContact O-N 3.44Å |
| 936 | V | 63.3 | Low | 56.2 | Low | 31 Ų | 31 | 95.8 Ų | 95.8 | 19% | 0.188 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -68.2 | -38.1 | 173.5 | 157.1 | 0 | 0 | 0 | 0 | 112.7 | P932 E933 V934 M940 R950 | P932-V936 VanDerWaalsContact O-CB 3.25Å; P932-V936 WeakPolarHBondContact O-CB 3.35Å; P932-V936 WeakPolarHBondContact O-CG2 3.35Å; P932-V936 PolarHBondContact O-N 2.97Å; E933-V936 PolarHBondContact O-N 3.36Å; V934-V936 VanDerWaalsContact C-N 3.27Å; V934-V936 PolarHBondContact O-N 2.92Å; V936-M940 WeakPolarHBondContact O-CB 3.48Å; V936-M940 WeakPolarHBondContact O-CG 3.4Å; V936-M940 PolarHBondContact O-N 3.5Å; V936-R950 VanDerWaalsContact CG1-CZ 3.44Å |
| 937 | Q | 59.8 | Low | 57.6 | Low | 124 Ų | 124 | 94.3 Ų | 94.3 | 58% | 0.579 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -65 | -43.9 | 176.3 | -156 | 74.9 | 4.6 | 0 | 0 | 110.5 | E933 V934 M940 D941 | E933-Q937 PolarHBondContact O-N 3.24Å; V934-Q937 WeakPolarHBondContact O-CB 3.49Å; V934-Q937 PolarHBondContact O-N 3.41Å; V934-Q937 VanDerWaalsContact O-N 3.09Å; Q937-M940 WeakPolarHBondContact O-CB 3.37Å; Q937-M940 PolarHBondContact O-N 2.86Å; Q937-D941 PolarHBondContact O-N 3.21Å; Q937-D941 VanDerWaalsContact O-N 3.09Å |
| 938 | R | 70.2 | Confident | 58.8 | Low | 112 Ų | 112 | 95.1 Ų | 95.1 | 42% | 0.423 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59.9 | -50.9 | 175.1 | -164.4 | 178.1 | -60.5 | 132.4 | 11.1 | 111.8 | D930 V934 M940 D941 E942 | D930-R938 IonicContact OD2-CZ 2.64Å; D930-R938 IonicContact OD2-NH1 3.59Å; D930-R938 PolarHBondContact OD2-NH1 3.21Å; D930-R938 IonicContact OD2-NH2 3.4Å; D930-R938 PolarHBondContact OD2-NH2 3.26Å; V934-R938 PolarHBondContact O-N 3.11Å; R938-M940 VanDerWaalsContact C-N 3.31Å; R938-M940 PolarHBondContact O-N 3.07Å; R938-D941 PolarHBondContact O-N 3.38Å; R938-E942 VanDerWaalsContact CG-CD 3.45Å; R938-E942 WeakPolarHBondContact CG-OE1 3.44Å; R938-E942 WeakPolarHBondContact CG-OE2 3.47Å; R938-E942 WeakPolarHBondContact O-CB 3.46Å; R938-E942 PolarHBondContact O-N 2.94Å |
| 939 | L | 65 | Low | 60.2 | Low | 68 Ų | 68 | 91.3 Ų | 91.3 | 36% | 0.356 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -65.7 | -28.2 | 175.5 | -72.1 | 169.8 | 0 | 0 | 0 | 114.1 | R935 D941 D943 F946 | R935-L939 HydrophobicContact CG-CD1 4.46Å; R935-L939 WeakPolarHBondContact O-CB 3.33Å; R935-L939 WeakPolarHBondContact O-CG 3.5Å; R935-L939 PolarHBondContact O-N 3.44Å; L939-D941 VanDerWaalsContact C-N 3.32Å; L939-D943 PolarHBondContact O-N 3.06Å; L939-F946 HydrophobicContact CB-CD1 3.74Å; L939-F946 HydrophobicContact CB-CE1 3.66Å; L939-F946 HydrophobicContact CB-CG 4.45Å; L939-F946 HydrophobicContact CB-CZ 4.32Å; L939-F946 HydrophobicContact CD1-CE1 4.49Å; L939-F946 HydrophobicContact CD1-CZ 4.34Å |
| 940 | M | 68.8 | Low | 61.1 | Low | 33 Ų | 33 | 88.6 Ų | 88.6 | 16% | 0.163 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -63.5 | -40.7 | 169.5 | -94.7 | -86 | 171.5 | 0 | 0 | 110.9 | V936 Q937 R938 R947 R950 | V936-M940 WeakPolarHBondContact O-CB 3.48Å; V936-M940 WeakPolarHBondContact O-CG 3.4Å; V936-M940 PolarHBondContact O-N 3.5Å; Q937-M940 WeakPolarHBondContact O-CB 3.37Å; Q937-M940 PolarHBondContact O-N 2.86Å; R938-M940 VanDerWaalsContact C-N 3.31Å; R938-M940 PolarHBondContact O-N 3.07Å; M940-R947 WeakPolarHBondContact O-CB 3.35Å; M940-R947 VanDerWaalsContact O-CG 3.28Å; M940-R947 WeakPolarHBondContact O-CG 3.47Å; M940-R947 PolarHBondContact O-NE 3.34Å; M940-R947 PolarHBondContact O-NH1 3.16Å; M940-R947 PolarHBondContact O-NH2 2.94Å; M940-R947 HydrophobicContact SD-CB 4.42Å; M940-R947 HydrophobicContact SD-CG 3.64Å; M940-R950 HydrophobicContact CE-CB 3.78Å; M940-R950 HydrophobicContact CE-CG 3.58Å |
| 941 | D | 59.6 | Low | 61.9 | Low | 98 Ų | 98 | 90.7 Ų | 90.7 | 52% | 0.524 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -85.8 | -33.9 | -175.8 | -77.9 | -41.9 | 0 | 0 | 0 | 115 | Q937 R938 L939 R947 | Q937-D941 PolarHBondContact O-N 3.21Å; Q937-D941 VanDerWaalsContact O-N 3.09Å; R938-D941 PolarHBondContact O-N 3.38Å; L939-D941 VanDerWaalsContact C-N 3.32Å; D941-R947 PolarHBondContact O-NH2 3.26Å; D941-R947 IonicContact OD1-CZ 3.73Å; D941-R947 IonicContact OD1-NH1 3.7Å; D941-R947 PolarHBondContact OD1-NH1 3.13Å; D941-R947 IonicContact OD1-NH2 2.68Å; D941-R947 PolarHBondContact OD1-NH2 2.92Å |
| 942 | E | 54 | Low | 62.4 | Low | 138 Ų | 138 | 95.1 Ų | 95.1 | 65% | 0.645 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -88.2 | -31.9 | -176.1 | -69.4 | 167.1 | -169.9 | 0 | 0 | 114.6 | R938 P944 | R938-E942 VanDerWaalsContact CG-CD 3.45Å; R938-E942 WeakPolarHBondContact CG-OE1 3.44Å; R938-E942 WeakPolarHBondContact CG-OE2 3.47Å; R938-E942 WeakPolarHBondContact O-CB 3.46Å; R938-E942 PolarHBondContact O-N 2.94Å; E942-P944 WeakPolarHBondContact O-CD 3.35Å |
| 943 | D | 71.9 | Confident | 63 | Low | 61 Ų | 61 | 98.2 Ų | 98.2 | 33% | 0.326 | 46% | 0.461 | S | S | . | . | trans | -109.3 | 107.3 | -179 | 179 | 14.6 | 0 | 0 | 0 | 113.9 | L939 A945 F946 R947 | L939-D943 PolarHBondContact O-N 3.06Å; D943-A945 PolarHBondContact O-N 2.72Å; D943-A945 WeakPolarHBondContact OD1-CA 3.42Å; D943-A945 VanDerWaalsContact OD1-CB 3.3Å; D943-A945 WeakPolarHBondContact OD1-CB 3.45Å; D943-A945 PolarHBondContact OD1-N 3.04Å; D943-F946 HydrophobicContact CB-CB 3.93Å; D943-F946 VanDerWaalsContact CG-N 3.33Å; D943-F946 PolarHBondContact O-N 3.29Å; D943-F946 WeakPolarHBondContact OD2-CB 3.24Å; D943-F946 PolarHBondContact OD2-N 3.33Å; D943-R947 VanDerWaalsContact O-CB 3.3Å; D943-R947 WeakPolarHBondContact O-CB 3.41Å; D943-R947 PolarHBondContact O-N 3.07Å | ||
| 944 | P | 55.3 | Low | 63.7 | Low | 75 Ų | 75 | 94.8 Ų | 94.8 | 49% | 0.487 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.1 | -19.7 | 174.1 | -22.4 | 34.5 | 0 | 0 | 0 | 115.3 | E942 R948 | E942-P944 WeakPolarHBondContact O-CD 3.35Å; P944-R948 WeakPolarHBondContact O-CB 3.5Å; P944-R948 WeakPolarHBondContact O-CG 3.41Å; P944-R948 PolarHBondContact O-NE 3.49Å; P944-R948 PolarHBondContact O-NH2 3.33Å |
| 945 | A | 60.1 | Low | 64.1 | Low | 60 Ų | 60 | 98.6 Ų | 98.6 | 50% | 0.496 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -80.8 | -54.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | D943 R947 R948 G949 | D943-A945 PolarHBondContact O-N 2.72Å; D943-A945 WeakPolarHBondContact OD1-CA 3.42Å; D943-A945 VanDerWaalsContact OD1-CB 3.3Å; D943-A945 WeakPolarHBondContact OD1-CB 3.45Å; D943-A945 PolarHBondContact OD1-N 3.04Å; A945-R947 PolarHBondContact O-N 2.83Å; A945-R948 CarbonylContact O-C 3.57Å; A945-R948 PolarHBondContact O-N 2.84Å; A945-R948 VanDerWaalsContact O-N 3.1Å; A945-G949 PolarHBondContact O-N 3.46Å |
| 946 | F | 70 | Confident | 64 | Low | 68 Ų | 68 | 97.7 Ų | 97.7 | 30% | 0.298 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -55.3 | -46.8 | 173 | -175.3 | -99.3 | 0 | 0 | 0 | 112 | L939 D943 R948 G949 R950 | L939-F946 HydrophobicContact CB-CD1 3.74Å; L939-F946 HydrophobicContact CB-CE1 3.66Å; L939-F946 HydrophobicContact CB-CG 4.45Å; L939-F946 HydrophobicContact CB-CZ 4.32Å; L939-F946 HydrophobicContact CD1-CE1 4.49Å; L939-F946 HydrophobicContact CD1-CZ 4.34Å; D943-F946 HydrophobicContact CB-CB 3.93Å; D943-F946 VanDerWaalsContact CG-N 3.33Å; D943-F946 PolarHBondContact O-N 3.29Å; D943-F946 WeakPolarHBondContact OD2-CB 3.24Å; D943-F946 PolarHBondContact OD2-N 3.33Å; F946-R948 VanDerWaalsContact C-N 3.28Å; F946-R948 PolarHBondContact O-N 2.92Å; F946-G949 PolarHBondContact O-N 2.87Å; F946-R950 WeakPolarHBondContact O-CB 3.26Å; F946-R950 PolarHBondContact O-N 3.35Å |
| 947 | R | 67.6 | Low | 63.8 | Low | 90 Ų | 90 | 98.4 Ų | 98.4 | 34% | 0.34 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -52.9 | -45.8 | 175 | -157.9 | -158.7 | -72 | -100.1 | 15.8 | 111.2 | M940 D941 D943 A945 L951 | M940-R947 WeakPolarHBondContact O-CB 3.35Å; M940-R947 VanDerWaalsContact O-CG 3.28Å; M940-R947 WeakPolarHBondContact O-CG 3.47Å; M940-R947 PolarHBondContact O-NE 3.34Å; M940-R947 PolarHBondContact O-NH1 3.16Å; M940-R947 PolarHBondContact O-NH2 2.94Å; M940-R947 HydrophobicContact SD-CB 4.42Å; M940-R947 HydrophobicContact SD-CG 3.64Å; D941-R947 PolarHBondContact O-NH2 3.26Å; D941-R947 IonicContact OD1-CZ 3.73Å; D941-R947 IonicContact OD1-NH1 3.7Å; D941-R947 PolarHBondContact OD1-NH1 3.13Å; D941-R947 IonicContact OD1-NH2 2.68Å; D941-R947 PolarHBondContact OD1-NH2 2.92Å; D943-R947 VanDerWaalsContact O-CB 3.3Å; D943-R947 WeakPolarHBondContact O-CB 3.41Å; D943-R947 PolarHBondContact O-N 3.07Å; A945-R947 PolarHBondContact O-N 2.83Å; R947-L951 HydrophobicContact CG-CD1 4.19Å; R947-L951 VanDerWaalsContact O-CB 3.27Å; R947-L951 WeakPolarHBondContact O-CB 3.18Å; R947-L951 WeakPolarHBondContact O-CD1 3.45Å; R947-L951 WeakPolarHBondContact O-CG 3.3Å; R947-L951 PolarHBondContact O-N 3.26Å |
| 948 | R | 59.3 | Low | 63.7 | Low | 151 Ų | 151 | 98.6 Ų | 98.6 | 57% | 0.57 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -75.2 | -32.1 | 179 | -81.4 | -179.8 | -73.6 | -168.4 | -3.8 | 114.2 | P944 A945 F946 R952 | P944-R948 WeakPolarHBondContact O-CB 3.5Å; P944-R948 WeakPolarHBondContact O-CG 3.41Å; P944-R948 PolarHBondContact O-NE 3.49Å; P944-R948 PolarHBondContact O-NH2 3.33Å; A945-R948 CarbonylContact O-C 3.57Å; A945-R948 PolarHBondContact O-N 2.84Å; A945-R948 VanDerWaalsContact O-N 3.1Å; F946-R948 VanDerWaalsContact C-N 3.28Å; F946-R948 PolarHBondContact O-N 2.92Å; R948-R952 WeakPolarHBondContact O-CG 3.03Å; R948-R952 PolarHBondContact O-N 2.84Å; R948-R952 PolarHBondContact O-NE 2.77Å |
| 949 | G | 71.8 | Confident | 63.2 | Low | 35 Ų | 35 | 98.9 Ų | 98.9 | 36% | 0.361 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.4 | -54.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | A945 F946 L951 R952 W953 | A945-G949 PolarHBondContact O-N 3.46Å; F946-G949 PolarHBondContact O-N 2.87Å; G949-L951 PolarHBondContact O-N 3.5Å; G949-R952 WeakPolarHBondContact O-CB 3.45Å; G949-R952 PolarHBondContact O-N 2.87Å; G949-R952 VanDerWaalsContact O-N 3.14Å; G949-W953 PolarHBondContact O-N 2.92Å |
| 950 | R | 68 | Low | 63.5 | Low | 93 Ų | 93 | 102.8 Ų | 102.8 | 35% | 0.351 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.9 | -36 | -177.1 | -171.3 | 161.5 | 176.6 | 148.3 | -0.2 | 113.4 | V936 M940 F946 R952 W953 L954 | V936-R950 VanDerWaalsContact CG1-CZ 3.44Å; M940-R950 HydrophobicContact CE-CB 3.78Å; M940-R950 HydrophobicContact CE-CG 3.58Å; F946-R950 WeakPolarHBondContact O-CB 3.26Å; F946-R950 PolarHBondContact O-N 3.35Å; R950-R952 VanDerWaalsContact C-N 3.35Å; R950-R952 PolarHBondContact O-N 3.31Å; R950-W953 PolarHBondContact O-N 3.01Å; R950-L954 HydrophobicContact CG-CD1 3.89Å; R950-L954 WeakPolarHBondContact O-CB 3.36Å; R950-L954 PolarHBondContact O-N 2.85Å |
| 951 | L | 62.5 | Low | 63.3 | Low | 101 Ų | 101 | 105 Ų | 105 | 53% | 0.529 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.4 | -35.2 | 171.5 | -87.4 | 162.9 | 0 | 0 | 0 | 113.2 | R947 G949 K955 | R947-L951 HydrophobicContact CG-CD1 4.19Å; R947-L951 VanDerWaalsContact O-CB 3.27Å; R947-L951 WeakPolarHBondContact O-CB 3.18Å; R947-L951 WeakPolarHBondContact O-CD1 3.45Å; R947-L951 WeakPolarHBondContact O-CG 3.3Å; R947-L951 PolarHBondContact O-N 3.26Å; G949-L951 PolarHBondContact O-N 3.5Å; L951-K955 WeakPolarHBondContact O-CB 3.46Å; L951-K955 PolarHBondContact O-N 3.14Å; L951-K955 VanDerWaalsContact O-N 3.16Å |
| 952 | R | 63.4 | Low | 63.3 | Low | 164 Ų | 164 | 104.7 Ų | 104.7 | 62% | 0.619 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -68.6 | -46.1 | 173.8 | -79.5 | 177.9 | -75 | -150.6 | 5.9 | 111 | R948 G949 R950 K955 Q956 | R948-R952 WeakPolarHBondContact O-CG 3.03Å; R948-R952 PolarHBondContact O-N 2.84Å; R948-R952 PolarHBondContact O-NE 2.77Å; G949-R952 WeakPolarHBondContact O-CB 3.45Å; G949-R952 PolarHBondContact O-N 2.87Å; G949-R952 VanDerWaalsContact O-N 3.14Å; R950-R952 VanDerWaalsContact C-N 3.35Å; R950-R952 PolarHBondContact O-N 3.31Å; R952-K955 PolarHBondContact O-N 3.25Å; R952-Q956 WeakPolarHBondContact O-CB 3.47Å; R952-Q956 PolarHBondContact O-N 2.98Å |
| 953 | W | 67.4 | Low | 63.8 | Low | 165 Ų | 165 | 101.9 Ų | 101.9 | 63% | 0.625 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -59.4 | -48.9 | 176.3 | -174.6 | 90.4 | 0 | 0 | 0 | 112.3 | G949 R950 K955 Q956 E957 | G949-W953 PolarHBondContact O-N 2.92Å; R950-W953 PolarHBondContact O-N 3.01Å; W953-K955 VanDerWaalsContact C-N 3.31Å; W953-K955 PolarHBondContact O-N 3.47Å; W953-Q956 PolarHBondContact O-N 3.15Å; W953-Q956 VanDerWaalsContact O-N 3.15Å; W953-E957 PolarHBondContact O-N 3.39Å |
| 954 | L | 65.4 | Low | 63.2 | Low | 90 Ų | 90 | 103.1 Ų | 103.1 | 47% | 0.471 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -57.2 | -43 | 176.1 | -107.9 | 98.1 | 0 | 0 | 0 | 112.1 | R950 Q956 E957 Q958 | R950-L954 HydrophobicContact CG-CD1 3.89Å; R950-L954 WeakPolarHBondContact O-CB 3.36Å; R950-L954 PolarHBondContact O-N 2.85Å; L954-Q956 VanDerWaalsContact C-N 3.34Å; L954-E957 PolarHBondContact O-N 3.33Å; L954-Q958 WeakPolarHBondContact O-CB 3.36Å; L954-Q958 PolarHBondContact O-N 3.14Å |
| 955 | K | 61.9 | Low | 63.4 | Low | 147 Ų | 147 | 105.2 Ų | 105.2 | 64% | 0.639 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -66.2 | -37.7 | 179.6 | -170 | 171.5 | -175.6 | 174.5 | 0 | 111.9 | L951 R952 W953 Q959 | L951-K955 WeakPolarHBondContact O-CB 3.46Å; L951-K955 PolarHBondContact O-N 3.14Å; L951-K955 VanDerWaalsContact O-N 3.16Å; R952-K955 PolarHBondContact O-N 3.25Å; W953-K955 VanDerWaalsContact C-N 3.31Å; W953-K955 PolarHBondContact O-N 3.47Å; K955-Q959 WeakPolarHBondContact O-CB 3.47Å; K955-Q959 PolarHBondContact O-N 2.84Å; K955-Q959 VanDerWaalsContact O-N 3.14Å |
| 956 | Q | 57.9 | Low | 63.1 | Low | 148 Ų | 148 | 107.7 Ų | 107.7 | 69% | 0.692 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -70.8 | -42.1 | 178.3 | -157 | 164.7 | 0.1 | 0 | 0 | 111.3 | R952 W953 L954 Q959 R960 | R952-Q956 WeakPolarHBondContact O-CB 3.47Å; R952-Q956 PolarHBondContact O-N 2.98Å; W953-Q956 PolarHBondContact O-N 3.15Å; W953-Q956 VanDerWaalsContact O-N 3.15Å; L954-Q956 VanDerWaalsContact C-N 3.34Å; Q956-Q959 PolarHBondContact O-N 3.28Å; Q956-R960 PolarHBondContact O-N 3.49Å |
| 957 | E | 59.9 | Low | 62.3 | Low | 45 Ų | 45 | 110 Ų | 110 | 21% | 0.21 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -72 | -39.9 | 177.1 | -175.8 | 54.8 | -157.7 | 0 | 0 | 112.6 | W953 L954 Q959 R960 I961 | W953-E957 PolarHBondContact O-N 3.39Å; L954-E957 PolarHBondContact O-N 3.33Å; E957-Q959 PolarHBondContact O-N 3.16Å; E957-R960 VanDerWaalsContact CD-NE 3.29Å; E957-R960 CarbonylContact O-C 3.55Å; E957-R960 WeakPolarHBondContact O-CA 3.49Å; E957-R960 WeakPolarHBondContact O-CB 3.43Å; E957-R960 PolarHBondContact O-N 2.92Å; E957-R960 IonicContact OE1-CZ 3.8Å; E957-R960 VanDerWaalsContact OE1-CZ 3.3Å; E957-R960 IonicContact OE1-NE 3.51Å; E957-R960 PolarHBondContact OE1-NE 3.23Å; E957-R960 IonicContact OE1-NH2 2.95Å; E957-R960 PolarHBondContact OE1-NH2 2.86Å; E957-R960 WeakPolarHBondContact OE2-CD 3.27Å; E957-R960 IonicContact OE2-CZ 3.89Å; E957-R960 IonicContact OE2-NE 3.06Å; E957-R960 PolarHBondContact OE2-NE 2.74Å; E957-R960 IonicContact OE2-NH2 3.81Å; E957-R960 PolarHBondContact OE2-NH2 3.13Å; E957-I961 HydrophobicContact CG-CD1 4.14Å; E957-I961 WeakPolarHBondContact O-CG1 3.36Å; E957-I961 PolarHBondContact O-N 2.88Å |
| 958 | Q | 57.3 | Low | 61.8 | Low | 129 Ų | 129 | 109.8 Ų | 109.8 | 60% | 0.603 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59.5 | -35.5 | 171.9 | -172.8 | 178.4 | 62.3 | 0 | 0 | 111.4 | L954 Q962 | L954-Q958 WeakPolarHBondContact O-CB 3.36Å; L954-Q958 PolarHBondContact O-N 3.14Å; Q958-Q962 PolarHBondContact O-N 3.17Å |
| 959 | Q | 59.2 | Low | 61.7 | Low | 118 Ų | 118 | 107.3 Ų | 107.3 | 55% | 0.551 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -74.9 | -30.9 | 174.8 | -162.9 | 157.6 | 3 | 0 | 0 | 112.6 | K955 Q956 E957 N963 | K955-Q959 WeakPolarHBondContact O-CB 3.47Å; K955-Q959 PolarHBondContact O-N 2.84Å; K955-Q959 VanDerWaalsContact O-N 3.14Å; Q956-Q959 PolarHBondContact O-N 3.28Å; E957-Q959 PolarHBondContact O-N 3.16Å; Q959-N963 WeakPolarHBondContact O-CB 3.15Å; Q959-N963 VanDerWaalsContact O-CG 3.27Å; Q959-N963 PolarHBondContact O-N 3.27Å; Q959-N963 VanDerWaalsContact O-N 3.07Å; Q959-N963 PolarHBondContact O-ND2 3.5Å |
| 960 | R | 71.3 | Confident | 60.7 | Low | 149 Ų | 149 | 109.7 Ų | 109.7 | 56% | 0.562 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.6 | -47.3 | 168.3 | -164 | 179.3 | 74.1 | 125.5 | 0.5 | 111.3 | Q956 E957 N963 L964 | Q956-R960 PolarHBondContact O-N 3.49Å; E957-R960 VanDerWaalsContact CD-NE 3.29Å; E957-R960 CarbonylContact O-C 3.55Å; E957-R960 WeakPolarHBondContact O-CA 3.49Å; E957-R960 WeakPolarHBondContact O-CB 3.43Å; E957-R960 PolarHBondContact O-N 2.92Å; E957-R960 IonicContact OE1-CZ 3.8Å; E957-R960 VanDerWaalsContact OE1-CZ 3.3Å; E957-R960 IonicContact OE1-NE 3.51Å; E957-R960 PolarHBondContact OE1-NE 3.23Å; E957-R960 IonicContact OE1-NH2 2.95Å; E957-R960 PolarHBondContact OE1-NH2 2.86Å; E957-R960 WeakPolarHBondContact OE2-CD 3.27Å; E957-R960 IonicContact OE2-CZ 3.89Å; E957-R960 IonicContact OE2-NE 3.06Å; E957-R960 PolarHBondContact OE2-NE 2.74Å; E957-R960 IonicContact OE2-NH2 3.81Å; E957-R960 PolarHBondContact OE2-NH2 3.13Å; R960-N963 PolarHBondContact O-N 3.1Å; R960-N963 VanDerWaalsContact O-N 3.13Å; R960-L964 HydrophobicContact CG-CD1 4.1Å; R960-L964 WeakPolarHBondContact O-CD1 3.34Å; R960-L964 PolarHBondContact O-N 3.43Å |
| 961 | I | 65.8 | Low | 59.9 | Low | 80 Ų | 80 | 111.7 Ų | 111.7 | 41% | 0.41 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.6 | -43.7 | 177.6 | -67.7 | 169 | 0 | 0 | 0 | 111.1 | E957 N963 L964 Q965 | E957-I961 HydrophobicContact CG-CD1 4.14Å; E957-I961 WeakPolarHBondContact O-CG1 3.36Å; E957-I961 PolarHBondContact O-N 2.88Å; I961-N963 VanDerWaalsContact C-N 3.27Å; I961-N963 PolarHBondContact O-N 2.87Å; I961-L964 PolarHBondContact O-N 2.94Å; I961-Q965 HydrophobicContact CG2-CG 4.46Å; I961-Q965 WeakPolarHBondContact O-CB 3.47Å; I961-Q965 WeakPolarHBondContact O-CG 3.47Å; I961-Q965 PolarHBondContact O-N 3.36Å |
| 962 | Q | 58.8 | Low | 59.1 | Low | 91 Ų | 91 | 114.5 Ų | 114.5 | 43% | 0.425 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59.1 | -37.8 | 172.4 | -82.1 | -161.5 | 14.3 | 0 | 0 | 112.4 | Q958 Q965 K966 | Q958-Q962 PolarHBondContact O-N 3.17Å; Q962-Q965 PolarHBondContact O-N 2.81Å; Q962-K966 WeakPolarHBondContact O-CB 3.4Å; Q962-K966 VanDerWaalsContact O-CG 3.24Å; Q962-K966 WeakPolarHBondContact O-CG 3.45Å; Q962-K966 PolarHBondContact O-N 3.5Å |
| 963 | N | 64.9 | Low | 58.1 | Low | 80 Ų | 80 | 113 Ų | 113 | 43% | 0.428 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -70.7 | -39.2 | 177.7 | -74.7 | -19.3 | 0 | 0 | 0 | 112.1 | Q959 R960 I961 K966 Q967 | Q959-N963 WeakPolarHBondContact O-CB 3.15Å; Q959-N963 VanDerWaalsContact O-CG 3.27Å; Q959-N963 PolarHBondContact O-N 3.27Å; Q959-N963 VanDerWaalsContact O-N 3.07Å; Q959-N963 PolarHBondContact O-ND2 3.5Å; R960-N963 PolarHBondContact O-N 3.1Å; R960-N963 VanDerWaalsContact O-N 3.13Å; I961-N963 VanDerWaalsContact C-N 3.27Å; I961-N963 PolarHBondContact O-N 2.87Å; N963-K966 PolarHBondContact O-N 3.35Å; N963-Q967 WeakPolarHBondContact O-CB 3.46Å; N963-Q967 WeakPolarHBondContact O-CG 3.48Å; N963-Q967 PolarHBondContact O-N 2.87Å |
| 964 | L | 59.8 | Low | 57 | Low | 87 Ų | 87 | 116 Ų | 116 | 46% | 0.455 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.4 | -43.3 | 170.6 | -93.6 | 90.2 | 0 | 0 | 0 | 112.1 | R960 I961 Q967 N968 | R960-L964 HydrophobicContact CG-CD1 4.1Å; R960-L964 WeakPolarHBondContact O-CD1 3.34Å; R960-L964 PolarHBondContact O-N 3.43Å; I961-L964 PolarHBondContact O-N 2.94Å; L964-Q967 PolarHBondContact O-N 2.99Å; L964-N968 WeakPolarHBondContact O-CB 3.25Å; L964-N968 PolarHBondContact O-N 3.01Å |
| 965 | Q | 60 | Low | 55.7 | Low | 118 Ų | 118 | 114.7 Ų | 114.7 | 55% | 0.551 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -62.4 | -44.9 | 176.1 | -75.8 | -177.1 | -14.7 | 0 | 0 | 111.3 | I961 Q962 Q967 N968 I969 | I961-Q965 HydrophobicContact CG2-CG 4.46Å; I961-Q965 WeakPolarHBondContact O-CB 3.47Å; I961-Q965 WeakPolarHBondContact O-CG 3.47Å; I961-Q965 PolarHBondContact O-N 3.36Å; Q962-Q965 PolarHBondContact O-N 2.81Å; Q965-Q967 PolarHBondContact O-N 3.35Å; Q965-N968 PolarHBondContact O-N 3.13Å; Q965-I969 WeakPolarHBondContact O-CB 3.44Å; Q965-I969 VanDerWaalsContact O-CG1 3.26Å; Q965-I969 WeakPolarHBondContact O-CG1 3.45Å; Q965-I969 PolarHBondContact O-N 3.34Å |
| 966 | K | 53.7 | Low | 54.5 | Low | 112 Ų | 112 | 115.5 Ų | 115.5 | 49% | 0.487 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -58.4 | -47.5 | 173.5 | -76.1 | 166.5 | -174.4 | 164.7 | 0 | 111.4 | Q962 N963 N968 I969 T970 | Q962-K966 WeakPolarHBondContact O-CB 3.4Å; Q962-K966 VanDerWaalsContact O-CG 3.24Å; Q962-K966 WeakPolarHBondContact O-CG 3.45Å; Q962-K966 PolarHBondContact O-N 3.5Å; N963-K966 PolarHBondContact O-N 3.35Å; K966-N968 VanDerWaalsContact C-N 3.35Å; K966-N968 PolarHBondContact O-N 3.08Å; K966-I969 PolarHBondContact O-N 3.03Å; K966-T970 PolarHBondContact O-N 3.29Å; K966-T970 PolarHBondContact O-OG1 2.77Å |
| 967 | Q | 53.5 | Low | 53.5 | Low | 117 Ų | 117 | 115.5 Ų | 115.5 | 55% | 0.547 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -60.9 | -40.3 | 176 | -74.3 | -177.3 | 10.6 | 0 | 0 | 112.8 | N963 L964 Q965 T970 K971 | N963-Q967 WeakPolarHBondContact O-CB 3.46Å; N963-Q967 WeakPolarHBondContact O-CG 3.48Å; N963-Q967 PolarHBondContact O-N 2.87Å; L964-Q967 PolarHBondContact O-N 2.99Å; Q965-Q967 PolarHBondContact O-N 3.35Å; Q967-T970 PolarHBondContact O-N 3.39Å; Q967-K971 WeakPolarHBondContact O-CB 3.3Å; Q967-K971 WeakPolarHBondContact O-CG 3.33Å; Q967-K971 PolarHBondContact O-N 2.86Å |
| 968 | N | 56.7 | Low | 52.3 | Low | 85 Ų | 85 | 121.6 Ų | 121.6 | 46% | 0.455 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -71.6 | -32.4 | 177.8 | -75.9 | -18 | 0 | 0 | 0 | 112.6 | L964 Q965 K966 K971 K972 | L964-N968 WeakPolarHBondContact O-CB 3.25Å; L964-N968 PolarHBondContact O-N 3.01Å; Q965-N968 PolarHBondContact O-N 3.13Å; K966-N968 VanDerWaalsContact C-N 3.35Å; K966-N968 PolarHBondContact O-N 3.08Å; N968-K971 PolarHBondContact O-N 2.89Å; N968-K972 WeakPolarHBondContact O-CG 3.28Å; N968-K972 PolarHBondContact O-N 3.01Å |
| 969 | I | 57.3 | Low | 51.2 | Low | 100 Ų | 100 | 122.2 Ų | 122.2 | 51% | 0.513 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -65.9 | -45.7 | 169.3 | -70 | 163.5 | 0 | 0 | 0 | 110.1 | Q965 K966 K971 K972 L973 | Q965-I969 WeakPolarHBondContact O-CB 3.44Å; Q965-I969 VanDerWaalsContact O-CG1 3.26Å; Q965-I969 WeakPolarHBondContact O-CG1 3.45Å; Q965-I969 PolarHBondContact O-N 3.34Å; K966-I969 PolarHBondContact O-N 3.03Å; I969-K971 VanDerWaalsContact C-N 3.3Å; I969-K971 PolarHBondContact O-N 3.09Å; I969-K972 PolarHBondContact O-N 3.36Å; I969-L973 HydrophobicContact CG2-CD1 3.81Å; I969-L973 HydrophobicContact CG2-CG 4.39Å; I969-L973 WeakPolarHBondContact O-CB 3.32Å; I969-L973 WeakPolarHBondContact O-CG 3.41Å; I969-L973 PolarHBondContact O-N 3.26Å |
| 970 | T | 51 | Low | 50.4 | Low | 84 Ų | 84 | 122.7 Ų | 122.7 | 52% | 0.515 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -61.6 | -35.2 | 174.6 | -52.2 | 0 | 0 | 0 | 0 | 112.5 | K966 Q967 R974 | K966-T970 PolarHBondContact O-N 3.29Å; K966-T970 PolarHBondContact O-OG1 2.77Å; Q967-T970 PolarHBondContact O-N 3.39Å; T970-R974 PolarHBondContact O-N 2.94Å |
| 971 | K | 50.7 | Low | 48.3 | Very low | 135 Ų | 135 | 119 Ų | 119 | 59% | 0.587 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -67.7 | -45.5 | 172.5 | -74.9 | 172.5 | -179.2 | 176.3 | 0 | 111.9 | Q967 N968 I969 L973 R974 G975 | Q967-K971 WeakPolarHBondContact O-CB 3.3Å; Q967-K971 WeakPolarHBondContact O-CG 3.33Å; Q967-K971 PolarHBondContact O-N 2.86Å; N968-K971 PolarHBondContact O-N 2.89Å; I969-K971 VanDerWaalsContact C-N 3.3Å; I969-K971 PolarHBondContact O-N 3.09Å; K971-L973 PolarHBondContact O-N 2.86Å; K971-R974 CarbonylContact O-C 3.59Å; K971-R974 PolarHBondContact O-N 2.71Å; K971-R974 VanDerWaalsContact O-N 3.11Å; K971-G975 PolarHBondContact O-N 3.03Å |
| 972 | K | 45.9 | Very low | 46.6 | Very low | 161 Ų | 161 | 123.7 Ų | 123.7 | 70% | 0.7 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -62.9 | -40.8 | 175.9 | -76.3 | -173.1 | 174.9 | -172.5 | 0 | 112.4 | N968 I969 R974 G975 Q976 | N968-K972 WeakPolarHBondContact O-CG 3.28Å; N968-K972 PolarHBondContact O-N 3.01Å; I969-K972 PolarHBondContact O-N 3.36Å; K972-R974 PolarHBondContact O-N 2.8Å; K972-G975 PolarHBondContact O-N 3.27Å; K972-Q976 PolarHBondContact O-N 3.36Å; K972-Q976 VanDerWaalsContact O-N 3.16Å |
| 973 | L | 41.8 | Very low | 45.2 | Very low | 132 Ų | 132 | 127 Ų | 127 | 69% | 0.691 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -66 | -17.3 | 173.7 | -71.8 | 169.2 | 0 | 0 | 0 | 114 | I969 K971 | I969-L973 HydrophobicContact CG2-CD1 3.81Å; I969-L973 HydrophobicContact CG2-CG 4.39Å; I969-L973 WeakPolarHBondContact O-CB 3.32Å; I969-L973 WeakPolarHBondContact O-CG 3.41Å; I969-L973 PolarHBondContact O-N 3.26Å; K971-L973 PolarHBondContact O-N 2.86Å |
| 974 | R | 43.8 | Very low | 43.4 | Very low | 227 Ų | 227 | 129.4 Ų | 129.4 | 86% | 0.857 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -92.4 | -13 | 167.3 | -83.6 | -173.4 | 169.2 | -174.8 | -2.8 | 114.1 | T970 K971 K972 | T970-R974 PolarHBondContact O-N 2.94Å; K971-R974 CarbonylContact O-C 3.59Å; K971-R974 PolarHBondContact O-N 2.71Å; K971-R974 VanDerWaalsContact O-N 3.11Å; K972-R974 PolarHBondContact O-N 2.8Å |
| 975 | G | 39 | Very low | 42.9 | Very low | 64 Ų | 64 | 130.6 Ų | 130.6 | 66% | 0.66 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -92.2 | -25.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | K971 K972 N977 | K971-G975 PolarHBondContact O-N 3.03Å; K972-G975 PolarHBondContact O-N 3.27Å; G975-N977 PolarHBondContact O-N 3.09Å |
| 976 | Q | 36.5 | Very low | 41.3 | Very low | 163 Ų | 163 | 131.1 Ų | 131.1 | 76% | 0.762 | 70% | 0.7 | S | S | * | * | trans | -94.6 | 70.7 | 178.3 | -71.1 | -174.1 | -62.4 | 0 | 0 | 112.6 | K972 | K972-Q976 PolarHBondContact O-N 3.36Å; K972-Q976 VanDerWaalsContact O-N 3.16Å | ||
| 977 | N | 36.9 | Very low | 40 | Very low | 149 Ų | 149 | 131.9 Ų | 131.9 | 80% | 0.797 | 71% | 0.714 | S | S | * | * | trans | -159.5 | 86.9 | 155.1 | -129.2 | -20 | 0 | 0 | 0 | 114.4 | G975 | G975-N977 PolarHBondContact O-N 3.09Š| ||
| 978 | Q | 33.7 | Very low | 39.6 | Very low | 173 Ų | 173 | 131.9 Ų | 131.9 | 81% | 0.808 | 72% | 0.724 | S | S | * | * | trans | 166.6 | 131.6 | 167.2 | -96.2 | 152.7 | 92.6 | 0 | 0 | 104.8 | ||||
| 979 | N | 35.3 | Very low | 38.2 | Very low | 142 Ų | 142 | 133.8 Ų | 133.8 | 76% | 0.759 | 74% | 0.738 | S | S | * | * | cis | -154.3 | -170.1 | 1 | -85 | -35.3 | 0 | 0 | 0 | 106.4 | ||||
| 980 | P | 42.1 | Very low | 36.7 | Very low | 127 Ų | 127 | 136.8 Ų | 136.8 | 83% | 0.825 | 75% | 0.749 | S | S | * | * | cis | -128.6 | 177.3 | -12 | 40 | -24.7 | 0 | 0 | 0 | 114.6 | ||||
| 981 | G | 27.7 | Very low | 35.6 | Very low | 71 Ų | 71 | 139.3 Ų | 139.3 | 73% | 0.732 | 76% | 0.759 | S | S | * | * | trans | 116.6 | 104.9 | 136.7 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 982 | Q | 29.9 | Very low | 35.1 | Very low | 180 Ų | 180 | 138.3 Ų | 138.3 | 84% | 0.841 | 77% | 0.766 | S | S | * | * | trans | 66.7 | 138.6 | 142.9 | -78.5 | -171.7 | 1.5 | 0 | 0 | 124.2 | ||||
| 983 | L | 28.1 | Very low | 34 | Very low | 159 Ų | 159 | 133.9 Ų | 133.9 | 83% | 0.832 | 77% | 0.766 | S | S | * | * | trans | 79 | 133.9 | 151.4 | -67.1 | 162.8 | 0 | 0 | 0 | 121.6 | ||||
| 984 | T | 28.9 | Very low | 33.5 | Very low | 131 Ų | 131 | 135.1 Ų | 135.1 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | -106.7 | 175.8 | 171.1 | 51 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 985 | P | 47.9 | Very low | 32.7 | Very low | 112 Ų | 112 | 127.3 Ų | 127.3 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | cis | -120.4 | -171.1 | 3.7 | 34.2 | -11.8 | 0 | 0 | 0 | 112.8 | ||||
| 986 | T | 26.8 | Very low | 32.2 | Very low | 129 Ų | 129 | 135.3 Ų | 135.3 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | -175.1 | 173.6 | 64.6 | -40.8 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 987 | V | 25.9 | Very low | 31.6 | Very low | 129 Ų | 129 | 134.9 Ų | 134.9 | 78% | 0.782 | 78% | 0.776 | S | S | * | * | trans | -139 | 153.2 | -165.9 | 164.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 988 | P | 45.2 | Very low | 31.2 | Very low | 117 Ų | 117 | 134.3 Ų | 134.3 | 76% | 0.76 | 77% | 0.772 | S | S | * | * | cis | -120.1 | -146.3 | 29.9 | 24.4 | 1.8 | 0 | 0 | 0 | 115.6 | ||||
| 989 | V | 27.8 | Very low | 31.8 | Very low | 125 Ų | 125 | 132.1 Ų | 132.1 | 76% | 0.758 | 77% | 0.772 | S | S | * | * | cis | -156.8 | 149.8 | 37.1 | 168.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 990 | H | 25.9 | Very low | 32.2 | Very low | 162 Ų | 162 | 130.5 Ų | 130.5 | 75% | 0.75 | 77% | 0.77 | S | S | * | * | trans | -8.7 | 163.1 | 157.4 | -85.3 | 30.8 | 0 | 0 | 0 | 122.8 | ||||
| 991 | L | 28.2 | Very low | 31.5 | Very low | 138 Ų | 138 | 133.4 Ų | 133.4 | 72% | 0.723 | 77% | 0.772 | S | S | * | * | cis | -161.4 | -158 | -16.6 | -141.3 | 71.1 | 0 | 0 | 0 | 108 | ||||
| 992 | P | 38.8 | Very low | 31.5 | Very low | 113 Ų | 113 | 138.4 Ų | 138.4 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | trans | -128.9 | 167.4 | -143.1 | 37.9 | -13.9 | 0 | 0 | 0 | 118.3 | ||||
| 993 | G | 24.8 | Very low | 31.3 | Very low | 68 Ų | 68 | 135.9 Ų | 135.9 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | trans | 80.6 | 134.9 | 138.4 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 994 | T | 29.4 | Very low | 31.2 | Very low | 158 Ų | 158 | 137.9 Ų | 137.9 | 97% | 0.969 | 78% | 0.779 | S | S | * | * | trans | -168.4 | 159.5 | 132.9 | 13.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 995 | G | 27.3 | Very low | 31.1 | Very low | 63 Ų | 63 | 138.8 Ų | 138.8 | 65% | 0.649 | 78% | 0.778 | S | S | * | * | trans | -159.4 | 174.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 996 | R | 29.4 | Very low | 30.2 | Very low | 233 Ų | 233 | 142 Ų | 142 | 88% | 0.879 | 78% | 0.781 | S | S | * | * | trans | 77.3 | 152.4 | -165.8 | -59.6 | -179.5 | 177.3 | -146.2 | -2.8 | 112.3 | ||||
| 997 | F | 24 | Very low | 30 | Very low | 154 Ų | 154 | 143.7 Ų | 143.7 | 68% | 0.675 | 78% | 0.778 | S | S | * | * | cis | -148.4 | 129 | 13.5 | -141 | -146.5 | 0 | 0 | 0 | 108.9 | ||||
| 998 | I | 27.8 | Very low | 30.5 | Very low | 137 Ų | 137 | 143.2 Ų | 143.2 | 70% | 0.703 | 78% | 0.777 | S | S | * | * | 69.5 | 113.5 | 108.6 | -90.3 | 165.9 | 0 | 0 | 0 | 118 | |||||
| 999 | P | 46.9 | Very low | 29.7 | Very low | 126 Ų | 126 | 146.6 Ų | 146.6 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -129.9 | 157.1 | 168.6 | 40.2 | -27.7 | 0 | 0 | 0 | 115.8 | ||||
| 1000 | P | 43.7 | Very low | 29.7 | Very low | 109 Ų | 109 | 150.1 Ų | 150.1 | 71% | 0.708 | 79% | 0.785 | S | S | * | * | trans | -135.6 | 149.2 | 178.8 | 40.2 | -24.3 | 0 | 0 | 0 | 118.9 | ||||
| 1001 | Q | 26.8 | Very low | 29.8 | Very low | 188 Ų | 188 | 147.6 Ų | 147.6 | 88% | 0.879 | 79% | 0.786 | S | S | * | * | trans | 63.4 | 156.9 | 153.2 | -65 | 165.2 | -4.9 | 0 | 0 | 117.4 | ||||
| 1002 | E | 27.3 | Very low | 30 | Very low | 175 Ų | 175 | 148 Ų | 148 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | cis | -142 | 146.1 | 29.9 | -86.4 | -170 | 170.7 | 0 | 0 | 112.7 | ||||
| 1003 | C | 26.1 | Very low | 29.9 | Very low | 128 Ų | 128 | 148.4 Ų | 148.4 | 87% | 0.865 | 79% | 0.791 | S | S | * | * | 71.8 | 162.5 | 98.4 | -69.9 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 1004 | K | 27.2 | Very low | 30 | Very low | 200 Ų | 200 | 148.6 Ų | 148.6 | 87% | 0.87 | 79% | 0.787 | S | S | * | * | trans | -121.5 | 162.5 | -155.3 | -57.9 | 177 | 179.2 | 177.6 | 0 | 115.5 | ||||
| 1005 | L | 25.5 | Very low | 30.1 | Very low | 150 Ų | 150 | 149.4 Ų | 149.4 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | -177.3 | -178.8 | 126.8 | -95.9 | 171.1 | 0 | 0 | 0 | 108.7 | |||||
| 1006 | K | 29.1 | Very low | 30.1 | Very low | 181 Ų | 181 | 157 Ų | 157 | 79% | 0.787 | 79% | 0.788 | S | S | * | * | cis | -135.6 | -123.7 | 7.4 | -154.7 | 157 | -173.5 | 173.8 | 0 | 113.3 | ||||
| 1007 | F | 24.1 | Very low | 30 | Very low | 164 Ų | 164 | 153.7 Ų | 153.7 | 72% | 0.719 | 79% | 0.787 | S | S | * | * | trans | -158.8 | 164.2 | -166.1 | -98.4 | -88.3 | 0 | 0 | 0 | 111 | ||||
| 1008 | P | 35.3 | Very low | 30.2 | Very low | 119 Ų | 119 | 150.1 Ų | 150.1 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | -125.9 | 173.3 | 96.5 | 0.1 | 22 | 0 | 0 | 0 | 116.5 | |||||
| 1009 | F | 28.4 | Very low | 30.1 | Very low | 188 Ų | 188 | 155.6 Ų | 155.6 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | trans | -74 | 169.9 | 179.9 | -60.1 | -86.7 | 0 | 0 | 0 | 113.4 | ||||
| 1010 | K | 28.5 | Very low | 29.2 | Very low | 198 Ų | 198 | 153 Ų | 153 | 86% | 0.861 | 79% | 0.789 | S | S | * | * | cis | -131.3 | -134.4 | 15.9 | -144.8 | -179 | -178.7 | 179 | 0 | 109.4 | ||||
| 1011 | S | 28.1 | Very low | 29.2 | Very low | 110 Ų | 110 | 153.7 Ų | 153.7 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | cis | -160.8 | 154.7 | -2.1 | -3.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1012 | N | 30.8 | Very low | 29.1 | Very low | 146 Ų | 146 | 149.4 Ų | 149.4 | 78% | 0.781 | 79% | 0.79 | S | S | * | * | trans | -162.1 | 144.8 | 166.6 | -161.5 | 21.8 | 0 | 0 | 0 | 106.8 | ||||
| 1013 | P | 37.1 | Very low | 29.1 | Very low | 121 Ų | 121 | 146.2 Ų | 146.2 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | -133.9 | 174.4 | 73 | 40.5 | -25 | 0 | 0 | 0 | 112.7 | |||||
| 1014 | A | 27.1 | Very low | 29.1 | Very low | 73 Ų | 73 | 148.5 Ų | 148.5 | 60% | 0.603 | 79% | 0.785 | S | S | * | * | cis | -147.8 | 165.6 | 19.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1015 | H | 32.7 | Very low | 29 | Very low | 175 Ų | 175 | 143.9 Ų | 143.9 | 81% | 0.81 | 78% | 0.784 | S | S | * | * | trans | 18.1 | 121.2 | 162.4 | -70.7 | -89.6 | 0 | 0 | 0 | 120.3 | ||||
| 1016 | R | 26.6 | Very low | 29 | Very low | 223 Ų | 223 | 144 Ų | 144 | 84% | 0.842 | 79% | 0.785 | S | S | * | * | cis | 74.7 | 74 | 16.4 | -152 | -163.8 | -148 | -143.7 | 7.7 | 117.3 | ||||
| 1017 | L | 27.9 | Very low | 28.9 | Very low | 162 Ų | 162 | 143.8 Ų | 143.8 | 85% | 0.848 | 79% | 0.787 | S | S | * | * | trans | -150.4 | 137.6 | 143.4 | -70.2 | -179 | 0 | 0 | 0 | 107 | ||||
| 1018 | S | 28.4 | Very low | 29.4 | Very low | 79 Ų | 79 | 140.1 Ų | 140.1 | 55% | 0.552 | 79% | 0.786 | S | S | * | * | cis | 89.1 | 128.9 | -8.5 | 87.1 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1019 | W | 24.5 | Very low | 29.1 | Very low | 253 Ų | 253 | 142.4 Ų | 142.4 | 96% | 0.958 | 79% | 0.791 | S | S | * | * | trans | 84.9 | 136.3 | 173.7 | -56.5 | 87.9 | 0 | 0 | 0 | 117.9 | ||||
| 1020 | G | 28.3 | Very low | 29.1 | Very low | 70 Ų | 70 | 136.7 Ų | 136.7 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | trans | -104.6 | -142.6 | 164.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1021 | P | 44.2 | Very low | 29 | Very low | 124 Ų | 124 | 135.7 Ų | 135.7 | 81% | 0.805 | 79% | 0.789 | S | S | * | * | cis | -135.8 | 178.3 | 7.5 | 43.3 | -26.3 | 0 | 0 | 0 | 116.1 | ||||
| 1022 | A | 24.6 | Very low | 29 | Very low | 99 Ų | 99 | 134.2 Ų | 134.2 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | 37.7 | 116.3 | 148.8 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 1023 | S | 26.2 | Very low | 28.9 | Very low | 108 Ų | 108 | 130.7 Ų | 130.7 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | -165.9 | 176.2 | 121.7 | -154.8 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 1024 | E | 26.8 | Very low | 28.6 | Very low | 175 Ų | 175 | 134.9 Ų | 134.9 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | 58 | 101 | 154.9 | -78.3 | 163.2 | 156.4 | 0 | 0 | 120.7 | ||||
| 1025 | A | 25.5 | Very low | 28.6 | Very low | 103 Ų | 103 | 135.5 Ų | 135.5 | 85% | 0.851 | 81% | 0.811 | S | S | * | * | trans | -88.9 | 111.4 | 147 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1026 | L | 25 | Very low | 28.3 | Very low | 153 Ų | 153 | 131.1 Ų | 131.1 | 80% | 0.801 | 81% | 0.814 | S | S | * | * | trans | -163.7 | 88.1 | 157.8 | -106.7 | 167 | 0 | 0 | 0 | 105.9 | A1028 | L1026-A1028 PolarHBondContact O-N 2.93Š| ||
| 1027 | Q | 27 | Very low | 28.3 | Very low | 177 Ų | 177 | 124.1 Ų | 124.1 | 83% | 0.827 | 81% | 0.811 | S | S | * | * | 32.5 | 67 | 87.4 | -159.9 | 162.6 | 12.4 | 0 | 0 | 115.5 | |||||
| 1028 | A | 33.8 | Very low | 28.3 | Very low | 86 Ų | 86 | 120.6 Ų | 120.6 | 71% | 0.711 | 81% | 0.806 | S | S | * | * | 70.6 | -165.5 | 130 | 0 | 0 | 0 | 0 | 0 | 118.2 | L1026 | L1026-A1028 PolarHBondContact O-N 2.93Š| |||
| 1029 | L | 29.6 | Very low | 28.3 | Very low | 167 Ų | 167 | 124.8 Ų | 124.8 | 87% | 0.874 | 82% | 0.816 | S | S | * | * | trans | 87.3 | 126 | -177.9 | -50.4 | 178.3 | 0 | 0 | 0 | 115.2 | ||||
| 1030 | G | 28.4 | Very low | 28.5 | Very low | 68 Ų | 68 | 121.5 Ų | 121.5 | 70% | 0.701 | 81% | 0.811 | S | S | * | * | cis | 157.5 | -163.1 | -9.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1031 | L | 26.8 | Very low | 28.5 | Very low | 177 Ų | 177 | 125.9 Ų | 125.9 | 93% | 0.927 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -74.7 | 136.3 | 142.7 | -55.6 | 173.3 | 0 | 0 | 0 | 106.5 | ||
| 1032 | G | 28.4 | Very low | 27.7 | Very low | 79 Ų | 79 | 123.3 Ų | 123.3 | 81% | 0.814 | 81% | 0.814 | S | S | * | * | cis | 138.8 | 92.8 | 2.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1033 | G | 28.5 | Very low | 27.7 | Very low | 73 Ų | 73 | 122.3 Ų | 122.3 | 75% | 0.753 | 81% | 0.813 | S | S | * | * | trans | -167.7 | 90.2 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 1034 | E | 30.1 | Very low | 27.6 | Very low | 209 Ų | 209 | 121.4 Ų | 121.4 | 98% | 0.977 | 82% | 0.822 | S | S | * | * | trans | 59 | 127.8 | 160.7 | -52.8 | -167.8 | 106.9 | 0 | 0 | 118.9 | ||||
| 1035 | G | 26.4 | Very low | 27.6 | Very low | 85 Ų | 85 | 116.1 Ų | 116.1 | 88% | 0.876 | 81% | 0.814 | S | S | * | * | trans | -175.6 | -34.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1036 | G | 26.9 | Very low | 27.8 | Very low | 83 Ų | 83 | 119.5 Ų | 119.5 | 86% | 0.856 | 81% | 0.812 | S | S | * | * | trans | 85.4 | 143.6 | 163 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1037 | G | 26.7 | Very low | 28.1 | Very low | 76 Ų | 76 | 118.9 Ų | 118.9 | 78% | 0.784 | 81% | 0.805 | S | S | * | * | trans | 106.4 | 100.4 | 143.3 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1038 | A | 28.3 | Very low | 28.3 | Very low | 89 Ų | 89 | 116.5 Ų | 116.5 | 74% | 0.736 | 80% | 0.798 | S | S | * | * | trans | 61.9 | 151.4 | 150.1 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1039 | E | 27.8 | Very low | 28 | Very low | 167 Ų | 167 | 119.7 Ų | 119.7 | 78% | 0.78 | 80% | 0.803 | S | S | * | * | cis | -161.3 | 150.1 | -13.5 | -112.2 | 157.7 | -172 | 0 | 0 | 107.9 | ||||
| 1040 | E | 28.8 | Very low | 27.9 | Very low | 183 Ų | 183 | 114.8 Ų | 114.8 | 86% | 0.855 | 79% | 0.793 | S | S | * | * | trans | 48.3 | 146.3 | 150.6 | -59.8 | -177 | 164.8 | 0 | 0 | 121.1 | ||||
| 1041 | D | 28.6 | Very low | 27.7 | Very low | 163 Ų | 163 | 115.6 Ų | 115.6 | 87% | 0.872 | 80% | 0.802 | S | S | * | * | cis | -147.9 | -178.6 | 2.7 | -160.7 | -0.6 | 0 | 0 | 0 | 110.6 | ||||
| 1042 | G | 27.1 | Very low | 27.8 | Very low | 69 Ų | 69 | 112.5 Ų | 112.5 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | trans | -76.5 | -163.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1043 | G | 25.1 | Very low | 28.7 | Very low | 78 Ų | 78 | 113.7 Ų | 113.7 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | cis | 164 | 156.1 | -1.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1044 | G | 24.6 | Very low | 29 | Very low | 90 Ų | 90 | 115.9 Ų | 115.9 | 93% | 0.928 | 79% | 0.787 | S | S | * | * | trans | 76.7 | 159.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1045 | G | 25.2 | Very low | 29.5 | Very low | 64 Ų | 64 | 111.7 Ų | 111.7 | 66% | 0.66 | 78% | 0.778 | S | S | * | * | cis | -160.7 | 153.8 | -6.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1046 | Q | 30.1 | Very low | 30.8 | Very low | 174 Ų | 174 | 113.1 Ų | 113.1 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | 58.5 | 143.7 | 87.3 | -65.9 | -168.4 | -70.8 | 0 | 0 | 115.6 | |||||
| 1047 | E | 31.2 | Very low | 32 | Very low | 139 Ų | 139 | 114 Ų | 114 | 65% | 0.65 | 76% | 0.763 | S | S | * | * | cis | -167.1 | 170.3 | -17.7 | -115 | 171.1 | -123.8 | 0 | 0 | 107.2 | ||||
| 1048 | N | 30.9 | Very low | 32.2 | Very low | 127 Ų | 127 | 117.8 Ų | 117.8 | 68% | 0.679 | 76% | 0.764 | S | S | * | * | cis | -119.8 | -106.7 | 1.4 | -139.5 | -40.1 | 0 | 0 | 0 | 111.3 | ||||
| 1049 | D | 28.6 | Very low | 32.4 | Very low | 153 Ų | 153 | 120.4 Ų | 120.4 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | cis | -165.5 | 160 | -11.7 | -158.2 | 42.2 | 0 | 0 | 0 | 107 | ||||
| 1050 | G | 26.8 | Very low | 33.3 | Very low | 64 Ų | 64 | 118.4 Ų | 118.4 | 66% | 0.66 | 77% | 0.766 | S | S | * | * | cis | 163.7 | 121.9 | -5.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1051 | G | 25.6 | Very low | 33.5 | Very low | 86 Ų | 86 | 115.4 Ų | 115.4 | 89% | 0.887 | 76% | 0.756 | S | S | * | * | trans | 144.3 | 106.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1052 | S | 28.3 | Very low | 34.3 | Very low | 111 Ų | 111 | 113.7 Ų | 113.7 | 78% | 0.776 | 75% | 0.753 | S | S | * | * | trans | -105.7 | -165.9 | 166.7 | 69.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1053 | P | 47.6 | Very low | 34.5 | Very low | 105 Ų | 105 | 118.2 Ų | 118.2 | 68% | 0.682 | 75% | 0.754 | S | S | * | * | cis | -125 | 150.8 | 17.8 | 13.7 | 14.1 | 0 | 0 | 0 | 115.6 | ||||
| 1054 | T | 33.8 | Very low | 35.4 | Very low | 118 Ų | 118 | 120.3 Ų | 120.3 | 72% | 0.724 | 75% | 0.753 | S | S | * | * | 54.3 | 135.4 | 82.6 | 83.9 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 1055 | P | 41 | Very low | 35.8 | Very low | 122 Ų | 122 | 121.6 Ų | 121.6 | 79% | 0.792 | 74% | 0.743 | S | S | * | * | -140.8 | 170.2 | 75.7 | 40.2 | -25.4 | 0 | 0 | 0 | 117.7 | |||||
| 1056 | P | 53.1 | Low | 37.1 | Very low | 115 Ų | 115 | 124.1 Ų | 124.1 | 75% | 0.747 | 75% | 0.748 | S | S | * | * | trans | -111.7 | -145.8 | 179.3 | 30.3 | -5.5 | 0 | 0 | 0 | 109.8 | ||||
| 1057 | P | 53.4 | Low | 38.6 | Very low | 102 Ų | 102 | 121.1 Ų | 121.1 | 66% | 0.662 | 74% | 0.743 | S | S | * | * | cis | -155.4 | -169.9 | 7.1 | 48.7 | -26.9 | 0 | 0 | 0 | 120.8 | ||||
| 1058 | L | 30.3 | Very low | 39.7 | Very low | 154 Ų | 154 | 119.5 Ų | 119.5 | 81% | 0.806 | 75% | 0.745 | S | S | * | * | trans | 69 | 118.9 | 157 | -60.7 | -176.6 | 0 | 0 | 0 | 119.8 | ||||
| 1059 | L | 33.4 | Very low | 39.7 | Very low | 145 Ų | 145 | 124.3 Ų | 124.3 | 76% | 0.759 | 75% | 0.754 | S | S | * | * | 52 | 140.3 | 60.7 | -76.6 | -177.9 | 0 | 0 | 0 | 115.2 | |||||
| 1060 | P | 45.3 | Very low | 39.8 | Very low | 124 Ų | 124 | 125 Ų | 125 | 81% | 0.805 | 75% | 0.754 | S | S | * | * | cis | -143.7 | 173.8 | 46.6 | 42.1 | -23.1 | 0 | 0 | 0 | 119.2 | ||||
| 1061 | L | 34.1 | Very low | 39.8 | Very low | 121 Ų | 121 | 132.3 Ų | 132.3 | 63% | 0.634 | 76% | 0.762 | S | S | * | * | trans | -84.1 | 173.9 | 166.1 | -64.5 | 163 | 0 | 0 | 0 | 111.1 | F1063 | L1061-F1063 HydrophobicContact CD1-CD2 4.31Å; L1061-F1063 HydrophobicContact CD1-CE2 3.73Å; L1061-F1063 HydrophobicContact CD1-CZ 4.29Å | ||
| 1062 | P | 44 | Very low | 40 | Very low | 127 Ų | 127 | 134.2 Ų | 134.2 | 83% | 0.825 | 76% | 0.756 | S | S | * | * | -138.4 | 157.1 | 94.5 | 38.2 | -26.6 | 0 | 0 | 0 | 116.7 | |||||
| 1063 | F | 31.8 | Very low | 40.4 | Very low | 163 Ų | 163 | 134.5 Ų | 134.5 | 72% | 0.715 | 76% | 0.755 | S | S | * | * | trans | -64.3 | 168.9 | 165.5 | -76.8 | -75.2 | 0 | 0 | 0 | 112.2 | L1061 | L1061-F1063 HydrophobicContact CD1-CD2 4.31Å; L1061-F1063 HydrophobicContact CD1-CE2 3.73Å; L1061-F1063 HydrophobicContact CD1-CZ 4.29Å | ||
| 1064 | P | 44.5 | Very low | 39.6 | Very low | 123 Ų | 123 | 134.8 Ų | 134.8 | 80% | 0.799 | 76% | 0.76 | S | S | * | * | cis | -148.1 | -173.3 | 35.2 | 44.3 | -22.9 | 0 | 0 | 0 | 119.4 | ||||
| 1065 | T | 32.5 | Very low | 40.2 | Very low | 116 Ų | 116 | 134.6 Ų | 134.6 | 71% | 0.712 | 76% | 0.761 | S | S | * | * | trans | -106.8 | -170.9 | 175.8 | 59.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1066 | P | 53.4 | Low | 39.9 | Very low | 118 Ų | 118 | 135.9 Ų | 135.9 | 77% | 0.766 | 76% | 0.756 | S | S | * | * | cis | -119.2 | -97.3 | -36.6 | 20 | 4.3 | 0 | 0 | 0 | 114.5 | ||||
| 1067 | P | 61.9 | Low | 39.2 | Very low | 110 Ų | 110 | 140.4 Ų | 140.4 | 71% | 0.714 | 76% | 0.758 | S | S | * | * | trans | -122.7 | -148.2 | -154.2 | 44.3 | -21.8 | 0 | 0 | 0 | 111.5 | ||||
| 1068 | P | 52.8 | Low | 38.3 | Very low | 106 Ų | 106 | 139.4 Ų | 139.4 | 69% | 0.688 | 76% | 0.759 | S | S | * | * | cis | -135 | -172.8 | -18.6 | 42 | -24.1 | 0 | 0 | 0 | 115 | ||||
| 1069 | R | 30.5 | Very low | 38.2 | Very low | 228 Ų | 228 | 142 Ų | 142 | 86% | 0.86 | 76% | 0.758 | S | S | * | * | trans | 48.5 | 117.5 | 147.9 | -76.7 | -179.4 | 173.2 | -157.2 | -1.7 | 122.7 | ||||
| 1070 | M | 32.1 | Very low | 38.3 | Very low | 167 Ų | 167 | 141.6 Ų | 141.6 | 82% | 0.823 | 75% | 0.752 | S | S | * | * | trans | 40 | 120.9 | 132.1 | -51 | -175.3 | 84.8 | 0 | 0 | 122 | ||||
| 1071 | R | 26.3 | Very low | 37.8 | Very low | 218 Ų | 218 | 140.2 Ų | 140.2 | 82% | 0.823 | 74% | 0.735 | S | S | * | * | 171.4 | 145 | 101.9 | -100.9 | -171.9 | 172.1 | -173.1 | -1.7 | 115.2 | |||||
| 1072 | T | 29.3 | Very low | 37.5 | Very low | 125 Ų | 125 | 144.1 Ų | 144.1 | 77% | 0.767 | 74% | 0.741 | S | S | * | * | trans | 65.1 | 168.6 | 150.4 | 55.4 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1073 | P | 36.6 | Very low | 36.9 | Very low | 117 Ų | 117 | 143 Ų | 143 | 76% | 0.76 | 73% | 0.728 | S | S | * | * | -133.9 | 174.1 | -54.3 | 39.5 | -24.9 | 0 | 0 | 0 | 114.1 | |||||
| 1074 | S | 30.7 | Very low | 37 | Very low | 111 Ų | 111 | 143.3 Ų | 143.3 | 78% | 0.776 | 73% | 0.732 | S | S | * | * | trans | -93.7 | 165.9 | 179.3 | -37.9 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1075 | P | 46.6 | Very low | 36.4 | Very low | 115 Ų | 115 | 141.1 Ų | 141.1 | 75% | 0.747 | 73% | 0.732 | S | S | * | * | trans | -102.5 | 140.1 | 132.2 | -5 | 25 | 0 | 0 | 0 | 110 | ||||
| 1076 | H | 36 | Very low | 36.2 | Very low | 149 Ų | 149 | 142.9 Ų | 142.9 | 69% | 0.69 | 74% | 0.737 | S | S | * | * | 62.8 | 130.6 | 64.9 | -86 | 11.4 | 0 | 0 | 0 | 113.6 | |||||
| 1077 | R | 37.3 | Very low | 35.1 | Very low | 210 Ų | 210 | 146.1 Ų | 146.1 | 79% | 0.792 | 74% | 0.742 | S | S | * | * | cis | -157.7 | 163 | 2 | -103.3 | 177.4 | -162.6 | 175.1 | 8.7 | 107.6 | ||||
| 1078 | A | 34.3 | Very low | 33.4 | Very low | 81 Ų | 81 | 144.6 Ų | 144.6 | 67% | 0.669 | 75% | 0.745 | S | S | * | * | cis | -158.8 | -156.8 | -11.7 | 0 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 1079 | W | 29.3 | Very low | 32.1 | Very low | 208 Ų | 208 | 143.2 Ų | 143.2 | 79% | 0.788 | 75% | 0.751 | S | S | * | * | cis | -164.9 | 175.5 | -6.4 | -131.6 | -9.3 | 0 | 0 | 0 | 105.5 | ||||
| 1080 | Q | 35.8 | Very low | 31.9 | Very low | 136 Ų | 136 | 142.1 Ų | 142.1 | 64% | 0.636 | 75% | 0.753 | S | S | * | * | cis | -110.4 | -172.5 | 0.9 | -81.7 | -85.2 | 73.1 | 0 | 0 | 108.7 | ||||
| 1081 | Q | 34.9 | Very low | 31.6 | Very low | 96 Ų | 96 | 143.2 Ų | 143.2 | 45% | 0.449 | 76% | 0.755 | S | S | . | * | cis | 84.6 | 128.3 | 16.4 | -54.2 | -160.3 | 80.4 | 0 | 0 | 116.9 | ||||
| 1082 | R | 28 | Very low | 31.5 | Very low | 203 Ų | 203 | 140.5 Ų | 140.5 | 77% | 0.766 | 75% | 0.752 | S | S | * | * | cis | -166.1 | 164.8 | 0.9 | -118.9 | -174.1 | 167 | 160.6 | -6.5 | 109 | ||||
| 1083 | N | 30.4 | Very low | 31.3 | Very low | 104 Ų | 104 | 141.2 Ų | 141.2 | 56% | 0.556 | 75% | 0.751 | S | S | * | * | cis | -153.3 | 161.2 | -9.2 | -156.7 | 34.9 | 0 | 0 | 0 | 112.6 | ||||
| 1084 | Q | 33.3 | Very low | 30.8 | Very low | 169 Ų | 169 | 144.1 Ų | 144.1 | 79% | 0.79 | 75% | 0.754 | S | S | * | * | trans | -19.5 | 150.9 | 162.4 | -60.8 | 150.5 | -18.3 | 0 | 0 | 120.3 | ||||
| 1085 | G | 32.9 | Very low | 31.6 | Very low | 77 Ų | 77 | 144.2 Ų | 144.2 | 79% | 0.794 | 75% | 0.752 | S | S | * | * | trans | -107.4 | 178.7 | 157.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 1086 | N | 28.8 | Very low | 30.6 | Very low | 153 Ų | 153 | 142.4 Ų | 142.4 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | trans | -161.3 | 165.4 | 173.3 | -164.5 | 29.2 | 0 | 0 | 0 | 112.9 | ||||
| 1087 | Q | 30.2 | Very low | 30.2 | Very low | 186 Ų | 186 | 141.8 Ų | 141.8 | 87% | 0.869 | 76% | 0.756 | S | S | * | * | trans | -131.9 | 148.8 | 159 | -77.5 | -164.9 | 13.1 | 0 | 0 | 111 | ||||
| 1088 | G | 26.2 | Very low | 29.8 | Very low | 77 Ų | 77 | 137.6 Ų | 137.6 | 79% | 0.794 | 75% | 0.75 | S | S | * | * | trans | 105.3 | 119.7 | 165.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1089 | G | 24.4 | Very low | 29.6 | Very low | 78 Ų | 78 | 140.4 Ų | 140.4 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | trans | 166.4 | 113.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1090 | F | 26.2 | Very low | 29.7 | Very low | 205 Ų | 205 | 136.3 Ų | 136.3 | 90% | 0.899 | 74% | 0.742 | S | S | * | * | trans | -86.4 | 150.2 | 179.7 | -72.4 | -110.4 | 0 | 0 | 0 | 111.7 | ||||
| 1091 | H | 25.5 | Very low | 29.3 | Very low | 189 Ų | 189 | 138.8 Ų | 138.8 | 88% | 0.875 | 75% | 0.747 | S | S | * | * | -168.3 | -178 | 128.1 | -108.1 | -67.3 | 0 | 0 | 0 | 113.9 | |||||
| 1092 | H | 25.2 | Very low | 29.2 | Very low | 162 Ų | 162 | 140.4 Ų | 140.4 | 75% | 0.75 | 76% | 0.755 | S | S | * | * | trans | -87.5 | 170.3 | -153.6 | -103.6 | 33.3 | 0 | 0 | 0 | 118.1 | ||||
| 1093 | N | 24.4 | Very low | 29.4 | Very low | 139 Ų | 139 | 140.4 Ų | 140.4 | 74% | 0.743 | 76% | 0.755 | S | S | * | * | trans | 83.3 | 110.3 | 149.7 | -71.4 | 1.9 | 0 | 0 | 0 | 122.4 | ||||
| 1094 | Q | 26.9 | Very low | 29.3 | Very low | 178 Ų | 178 | 146.2 Ų | 146.2 | 83% | 0.832 | 77% | 0.769 | S | S | * | * | 1.2 | 165 | 116.3 | -87 | -170.8 | 4.7 | 0 | 0 | 120.7 | |||||
| 1095 | P | 46.3 | Very low | 29.1 | Very low | 114 Ų | 114 | 146.3 Ų | 146.3 | 74% | 0.74 | 77% | 0.769 | S | S | * | * | cis | -139.9 | 167.3 | -12.3 | 33.8 | -13.9 | 0 | 0 | 0 | 117.3 | ||||
| 1096 | G | 26.1 | Very low | 28.7 | Very low | 77 Ų | 77 | 154.3 Ų | 154.3 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | trans | 83.1 | 176.2 | 153.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1097 | N | 29 | Very low | 28.9 | Very low | 136 Ų | 136 | 157.7 Ų | 157.7 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | cis | -177 | 131.5 | -26 | 174.6 | 32.4 | 0 | 0 | 0 | 108.4 | ||||
| 1098 | N | 27.9 | Very low | 29 | Very low | 121 Ų | 121 | 152 Ų | 152 | 65% | 0.647 | 77% | 0.768 | S | S | * | * | trans | 61.2 | 162.8 | 166.1 | -83.5 | -11.5 | 0 | 0 | 0 | 118 | ||||
| 1099 | Q | 29.6 | Very low | 29.3 | Very low | 141 Ų | 141 | 152.9 Ų | 152.9 | 66% | 0.659 | 76% | 0.762 | S | S | * | * | cis | -165 | 142.2 | -34.3 | -128.4 | -178.3 | 62.9 | 0 | 0 | 110.6 | ||||
| 1100 | N | 31.6 | Very low | 29.9 | Very low | 121 Ų | 121 | 155.9 Ų | 155.9 | 65% | 0.647 | 76% | 0.759 | S | S | * | * | trans | 64.8 | 165.2 | 160.2 | -57.6 | -40.9 | 0 | 0 | 0 | 116.9 | ||||
| 1101 | Y | 28.7 | Very low | 30 | Very low | 188 Ų | 188 | 152.9 Ų | 152.9 | 74% | 0.737 | 75% | 0.752 | S | S | * | * | cis | -145.7 | 130.5 | 28.8 | -112.3 | -101.6 | 0 | 0 | 0 | 114.9 | ||||
| 1102 | Q | 32.4 | Very low | 30.2 | Very low | 130 Ų | 130 | 146.4 Ų | 146.4 | 61% | 0.607 | 74% | 0.736 | S | S | * | * | trans | 62.6 | 163.9 | 149.3 | -69 | -177.7 | 12 | 0 | 0 | 119.3 | ||||
| 1103 | R | 31.6 | Very low | 30.5 | Very low | 203 Ų | 203 | 144.9 Ų | 144.9 | 77% | 0.766 | 74% | 0.744 | S | S | * | * | cis | -162.3 | 154.1 | -8.4 | -115.4 | 165.5 | 173.1 | 157.6 | -17.2 | 105 | ||||
| 1104 | R | 27.7 | Very low | 30.9 | Very low | 227 Ų | 227 | 143 Ų | 143 | 86% | 0.857 | 75% | 0.748 | S | S | * | * | cis | -130.9 | 176.5 | 4.5 | -38.6 | 172.4 | -177.5 | 93.6 | -8.1 | 107 | ||||
| 1105 | Q | 30.4 | Very low | 31.2 | Very low | 171 Ų | 171 | 143.1 Ų | 143.1 | 80% | 0.799 | 75% | 0.748 | S | S | * | * | cis | 81.2 | 104 | 11.7 | -67 | -174.4 | -15.4 | 0 | 0 | 120.1 | ||||
| 1106 | R | 24.8 | Very low | 30.5 | Very low | 244 Ų | 244 | 143.2 Ų | 143.2 | 92% | 0.921 | 75% | 0.751 | S | S | * | * | -125.6 | 139.4 | 128.7 | -99.9 | -164.1 | 176.9 | -155 | -0.1 | 109.5 | |||||
| 1107 | R | 31.7 | Very low | 30.6 | Very low | 225 Ų | 225 | 143.3 Ų | 143.3 | 85% | 0.849 | 75% | 0.753 | S | S | * | * | trans | -105 | 167.5 | 165.4 | -81.1 | 179.7 | 167.6 | -167.9 | -3.5 | 108 | ||||
| 1108 | G | 32.2 | Very low | 30.7 | Very low | 65 Ų | 65 | 144.8 Ų | 144.8 | 67% | 0.67 | 76% | 0.755 | S | S | * | * | cis | 128.3 | -168.2 | 0.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1109 | S | 33.5 | Very low | 30.8 | Very low | 96 Ų | 96 | 147.4 Ų | 147.4 | 67% | 0.671 | 76% | 0.764 | S | S | * | * | trans | 67.1 | 151 | 178.4 | -67 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1110 | L | 36.8 | Very low | 30.7 | Very low | 142 Ų | 142 | 144.8 Ų | 144.8 | 74% | 0.743 | 77% | 0.774 | S | S | * | * | cis | -156.7 | -173.5 | -16.5 | -106.7 | 173.3 | 0 | 0 | 0 | 106 | ||||
| 1111 | D | 27.7 | Very low | 30.4 | Very low | 141 Ų | 141 | 143 Ų | 143 | 75% | 0.754 | 79% | 0.785 | S | S | * | * | cis | -151.1 | -177.1 | 9.4 | -125.8 | -44.9 | 0 | 0 | 0 | 107.3 | ||||
| 1112 | G | 29.3 | Very low | 30.3 | Very low | 53 Ų | 53 | 138.1 Ų | 138.1 | 55% | 0.546 | 79% | 0.791 | S | S | . | * | cis | 174.8 | 140.9 | -1.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1113 | S | 32.1 | Very low | 30 | Very low | 131 Ų | 131 | 136.2 Ų | 136.2 | 92% | 0.916 | 81% | 0.806 | S | S | * | * | trans | -158.8 | 122.3 | 179.5 | -75.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1114 | A | 33.4 | Very low | 29.7 | Very low | 100 Ų | 100 | 130.6 Ų | 130.6 | 83% | 0.826 | 81% | 0.812 | S | S | * | * | trans | -179.2 | 165.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1115 | H | 32.2 | Very low | 29.7 | Very low | 179 Ų | 179 | 123.5 Ų | 123.5 | 83% | 0.829 | 81% | 0.81 | S | S | * | * | cis | -166.7 | 157.4 | -46 | -144.9 | 43.6 | 0 | 0 | 0 | 109.9 | ||||
| 1116 | S | 31.4 | Very low | 29.6 | Very low | 116 Ų | 116 | 123.4 Ų | 123.4 | 81% | 0.811 | 81% | 0.809 | S | S | * | * | trans | 51.1 | 132.9 | 155.7 | 57.8 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 1117 | G | 28.7 | Very low | 29.8 | Very low | 80 Ų | 80 | 120.1 Ų | 120.1 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | trans | -164.4 | 155.7 | 163.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1118 | E | 31.7 | Very low | 29.5 | Very low | 166 Ų | 166 | 113.2 Ų | 113.2 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | trans | -119.3 | 156.7 | -152.5 | -122.5 | -171.8 | 102.5 | 0 | 0 | 117.9 | ||||
| 1119 | Q | 29.3 | Very low | 29.5 | Very low | 177 Ų | 177 | 121.7 Ų | 121.7 | 83% | 0.827 | 81% | 0.814 | S | S | * | * | trans | 65.5 | 149.6 | 157 | -62.9 | 178.2 | 32 | 0 | 0 | 121.7 | ||||
| 1120 | G | 27.7 | Very low | 30.3 | Very low | 85 Ų | 85 | 122 Ų | 122 | 88% | 0.876 | 81% | 0.814 | S | S | * | * | trans | 116.8 | 120.1 | 163.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1121 | G | 26.2 | Very low | 30.2 | Very low | 85 Ų | 85 | 126.1 Ų | 126.1 | 88% | 0.876 | 82% | 0.82 | S | S | * | * | trans | -123.1 | 177.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1122 | G | 25.6 | Very low | 30.6 | Very low | 84 Ų | 84 | 126.3 Ų | 126.3 | 87% | 0.866 | 82% | 0.816 | S | S | * | * | trans | 107.8 | 145 | 159.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1123 | G | 26.3 | Very low | 30.6 | Very low | 90 Ų | 90 | 133.6 Ų | 133.6 | 93% | 0.928 | 83% | 0.827 | S | S | * | * | trans | 94.2 | 136.3 | 159.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1124 | G | 26.1 | Very low | 30.5 | Very low | 85 Ų | 85 | 138.3 Ų | 138.3 | 88% | 0.876 | 83% | 0.825 | S | S | * | * | trans | -124.3 | 153.6 | 159.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1125 | G | 26.4 | Very low | 30.5 | Very low | 79 Ų | 79 | 138.3 Ų | 138.3 | 81% | 0.814 | 83% | 0.825 | S | S | * | * | trans | 172.9 | 110.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1126 | H | 29.1 | Very low | 30.5 | Very low | 168 Ų | 168 | 133.8 Ų | 133.8 | 78% | 0.778 | 82% | 0.819 | S | S | * | * | trans | 11.3 | 134.8 | 145.4 | -81.5 | -34.3 | 0 | 0 | 0 | 123.9 | ||||
| 1127 | Q | 28.1 | Very low | 30.7 | Very low | 175 Ų | 175 | 133.6 Ų | 133.6 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | trans | 76.6 | 136.2 | 131.2 | -64.2 | 175.2 | 53.4 | 0 | 0 | 120.7 | ||||
| 1128 | G | 25.3 | Very low | 32 | Very low | 80 Ų | 80 | 135.8 Ų | 135.8 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | trans | 179.7 | 66.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1129 | R | 32.1 | Very low | 32.1 | Very low | 243 Ų | 243 | 131.6 Ų | 131.6 | 92% | 0.917 | 82% | 0.818 | S | S | * | * | trans | -83.8 | 173.2 | 156.4 | -88.2 | -173.9 | 170 | -162.4 | -1 | 108.8 | ||||
| 1130 | P | 50.7 | Low | 32.2 | Very low | 104 Ų | 104 | 126.5 Ų | 126.5 | 68% | 0.675 | 81% | 0.814 | S | S | * | * | cis | -152.3 | -166.3 | 25.3 | 45.5 | -24.2 | 0 | 0 | 0 | 118.6 | ||||
| 1131 | R | 35.3 | Very low | 32.7 | Very low | 228 Ų | 228 | 130 Ų | 130 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | trans | 78.3 | 141.5 | 159.2 | -72.8 | 170.9 | 173.8 | 171.5 | -2.7 | 116.8 | ||||
| 1132 | Q | 35.2 | Very low | 32.9 | Very low | 144 Ų | 144 | 135.8 Ų | 135.8 | 67% | 0.673 | 80% | 0.802 | S | S | * | * | cis | -143.3 | -159.4 | 16.7 | -124.8 | 166.9 | 102.4 | 0 | 0 | 110.6 | ||||
| 1133 | R | 30.3 | Very low | 33.2 | Very low | 206 Ų | 206 | 135.3 Ų | 135.3 | 78% | 0.777 | 80% | 0.798 | S | S | * | * | cis | -145 | -84.6 | 11.2 | -150.9 | 156.9 | -143.1 | -168.1 | 3.7 | 119.3 | ||||
| 1134 | R | 29.6 | Very low | 33.2 | Very low | 230 Ų | 230 | 135 Ų | 135 | 87% | 0.868 | 79% | 0.794 | S | S | * | * | trans | -144.1 | 145.2 | -167.6 | -74.6 | 173.9 | 172.8 | -179.2 | -5.1 | 109.9 | ||||
| 1135 | A | 32.4 | Very low | 33.5 | Very low | 100 Ų | 100 | 142.7 Ų | 142.7 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | cis | 92 | 145.7 | 29.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1136 | A | 32.3 | Very low | 34.7 | Very low | 85 Ų | 85 | 144.4 Ų | 144.4 | 70% | 0.702 | 79% | 0.794 | S | S | * | * | cis | -152.8 | 145.1 | 17.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1137 | S | 35.9 | Very low | 34.6 | Very low | 111 Ų | 111 | 140.1 Ų | 140.1 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | 94.3 | 155.2 | 79 | -67.5 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 1138 | P | 57 | Low | 35.8 | Very low | 127 Ų | 127 | 137.5 Ų | 137.5 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | cis | -82.2 | -165.8 | 5.1 | 39.3 | -40.4 | 0 | 0 | 0 | 113.1 | ||||
| 1139 | G | 33.5 | Very low | 36 | Very low | 77 Ų | 77 | 145.6 Ų | 145.6 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | cis | 103.2 | 142.8 | 0.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 1140 | G | 32 | Very low | 35.8 | Very low | 71 Ų | 71 | 138 Ų | 138 | 73% | 0.732 | 80% | 0.796 | S | S | * | * | cis | 178.3 | 166.4 | -4.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1141 | E | 36.5 | Very low | 34.7 | Very low | 159 Ų | 159 | 136.6 Ų | 136.6 | 74% | 0.743 | 80% | 0.8 | S | S | * | * | trans | 59.6 | -176.4 | -175.6 | -52.2 | -168.8 | 61.6 | 0 | 0 | 115.1 | ||||
| 1142 | R | 31 | Very low | 34.6 | Very low | 206 Ų | 206 | 131.5 Ų | 131.5 | 78% | 0.777 | 80% | 0.799 | S | S | * | * | cis | -151.8 | 153.9 | -3.7 | -161.7 | 169.6 | -77.5 | 161.1 | -0.4 | 108.4 | ||||
| 1143 | G | 31.4 | Very low | 34.5 | Very low | 74 Ų | 74 | 135.8 Ų | 135.8 | 76% | 0.763 | 81% | 0.809 | S | S | * | * | cis | 142.8 | 97.1 | -8.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1144 | G | 28.1 | Very low | 34.5 | Very low | 83 Ų | 83 | 133.3 Ų | 133.3 | 86% | 0.856 | 81% | 0.812 | S | S | * | * | trans | 179.7 | 162 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1145 | R | 32.3 | Very low | 34.7 | Very low | 247 Ų | 247 | 132.7 Ų | 132.7 | 93% | 0.932 | 81% | 0.809 | S | S | * | * | trans | -146.7 | 174.8 | -178.1 | -97.6 | -171.2 | 176.8 | -157.6 | 1.2 | 108.3 | ||||
| 1146 | P | 50.8 | Low | 34.8 | Very low | 115 Ų | 115 | 135 Ų | 135 | 75% | 0.747 | 80% | 0.803 | S | S | * | * | cis | -140.2 | 148.8 | -30.3 | 36.6 | -18.1 | 0 | 0 | 0 | 116.5 | ||||
| 1147 | G | 27.5 | Very low | 34.7 | Very low | 78 Ų | 78 | 134.4 Ų | 134.4 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | trans | 61.2 | -166.5 | 160 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 1148 | P | 52.3 | Low | 34.4 | Very low | 119 Ų | 119 | 132 Ų | 132 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | cis | -135.5 | 176.4 | -35.8 | 42 | -28.2 | 0 | 0 | 0 | 114.2 | ||||
| 1149 | R | 29.4 | Very low | 33.4 | Very low | 250 Ų | 250 | 132.2 Ų | 132.2 | 94% | 0.943 | 79% | 0.787 | S | S | * | * | trans | 63 | 157.3 | 161.6 | -80 | -171.9 | 171.8 | -153.1 | -1.2 | 120.1 | ||||
| 1150 | G | 27.5 | Very low | 33.3 | Very low | 84 Ų | 84 | 137.2 Ų | 137.2 | 87% | 0.866 | 78% | 0.783 | S | S | * | * | trans | 99.1 | 162.9 | 150.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1151 | G | 29.6 | Very low | 33.3 | Very low | 74 Ų | 74 | 142.7 Ų | 142.7 | 76% | 0.763 | 78% | 0.783 | S | S | * | * | trans | -171.5 | -177.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1152 | S | 31.3 | Very low | 33 | Very low | 121 Ų | 121 | 140.3 Ų | 140.3 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | trans | 75.3 | 114.8 | -179.3 | -64.5 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1153 | R | 33.6 | Very low | 33.1 | Very low | 234 Ų | 234 | 136.5 Ų | 136.5 | 88% | 0.883 | 77% | 0.766 | S | S | * | * | trans | 44.4 | 118.8 | 141.8 | -63.3 | -178.3 | 175 | -179.6 | -1.4 | 120.9 | ||||
| 1154 | D | 30.9 | Very low | 33 | Very low | 155 Ų | 155 | 142 Ų | 142 | 83% | 0.829 | 76% | 0.764 | S | S | * | * | -163.8 | 157.2 | 105.6 | -84.8 | -34.1 | 0 | 0 | 0 | 107.4 | |||||
| 1155 | R | 33.2 | Very low | 33.1 | Very low | 216 Ų | 216 | 145.4 Ų | 145.4 | 82% | 0.815 | 76% | 0.758 | S | S | * | * | cis | 103.3 | 139.6 | 14.6 | -153.3 | 178.2 | -166.2 | -139.7 | 1.2 | 114.9 | ||||
| 1156 | E | 35.1 | Very low | 33.1 | Very low | 148 Ų | 148 | 141.2 Ų | 141.2 | 69% | 0.692 | 75% | 0.748 | S | S | * | * | trans | 79.5 | 147.8 | 178.7 | -48.9 | -154.8 | 147.6 | 0 | 0 | 116.4 | F1159 | E1156-F1159 WeakPolarHBondContact OE1-CZ 3.16Š| ||
| 1157 | G | 30.3 | Very low | 32.5 | Very low | 73 Ų | 73 | 144.3 Ų | 144.3 | 75% | 0.753 | 75% | 0.752 | S | S | * | * | cis | -152 | -173.8 | -3.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1158 | G | 29.5 | Very low | 32.6 | Very low | 62 Ų | 62 | 149 Ų | 149 | 64% | 0.639 | 75% | 0.753 | S | S | * | * | cis | -156.4 | 159.1 | -0.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1159 | F | 35.5 | Very low | 31.4 | Very low | 131 Ų | 131 | 152.8 Ų | 152.8 | 58% | 0.575 | 76% | 0.758 | S | S | * | * | 76.2 | 122.7 | 66.2 | -56.4 | -38.1 | 0 | 0 | 0 | 112.7 | E1156 | E1156-F1159 WeakPolarHBondContact OE1-CZ 3.16Š| |||
| 1160 | Y | 32.1 | Very low | 31.6 | Very low | 182 Ų | 182 | 148.7 Ų | 148.7 | 71% | 0.714 | 75% | 0.749 | S | S | * | * | cis | -131 | -149.8 | -0.9 | -55.3 | -84.9 | 0 | 0 | 0 | 108.9 | ||||
| 1161 | Y | 31 | Very low | 32.2 | Very low | 186 Ų | 186 | 150.8 Ų | 150.8 | 73% | 0.729 | 75% | 0.747 | S | S | * | * | cis | -158 | -167.7 | -1 | -118.4 | 141.4 | 0 | 0 | 0 | 106.3 | ||||
| 1162 | N | 31.1 | Very low | 32.6 | Very low | 108 Ų | 108 | 155.6 Ų | 155.6 | 58% | 0.578 | 75% | 0.75 | S | S | * | * | cis | -154.4 | 169.6 | 2.4 | -117.6 | -23.7 | 0 | 0 | 0 | 107 | ||||
| 1163 | Q | 32.6 | Very low | 33.5 | Very low | 126 Ų | 126 | 155.3 Ų | 155.3 | 59% | 0.589 | 75% | 0.745 | S | S | * | * | 58.9 | 141.4 | 64.7 | -66.8 | -166.3 | 96.3 | 0 | 0 | 116.9 | |||||
| 1164 | R | 29.4 | Very low | 33.2 | Very low | 189 Ų | 189 | 154.9 Ų | 154.9 | 71% | 0.713 | 75% | 0.745 | S | S | * | * | cis | -166.9 | 152.2 | -0.8 | 152.6 | -170.1 | -66.2 | -140 | 3.7 | 112.9 | ||||
| 1165 | Q | 30.5 | Very low | 33.3 | Very low | 156 Ų | 156 | 157.2 Ų | 157.2 | 73% | 0.729 | 74% | 0.743 | S | S | * | * | trans | 81.1 | 147.4 | 158.6 | -93.3 | 170.7 | -15.8 | 0 | 0 | 123.8 | ||||
| 1166 | H | 33 | Very low | 33.4 | Very low | 158 Ų | 158 | 152.7 Ų | 152.7 | 73% | 0.731 | 74% | 0.735 | S | S | * | * | trans | 61 | 91.5 | 164.2 | -74.9 | -75.8 | 0 | 0 | 0 | 122.7 | ||||
| 1167 | H | 36.7 | Very low | 33.4 | Very low | 181 Ų | 181 | 149.5 Ų | 149.5 | 84% | 0.838 | 73% | 0.729 | S | S | * | * | 28.6 | 142 | 129.5 | -74.9 | 85.5 | 0 | 0 | 0 | 123.5 | |||||
| 1168 | Q | 29.8 | Very low | 33.6 | Very low | 175 Ų | 175 | 153.8 Ų | 153.8 | 82% | 0.818 | 73% | 0.73 | S | S | * | * | trans | 95.5 | 102.8 | 163.3 | -66.3 | -171.7 | -19.4 | 0 | 0 | 119.6 | ||||
| 1169 | F | 26.6 | Very low | 33.9 | Very low | 200 Ų | 200 | 156.5 Ų | 156.5 | 88% | 0.877 | 73% | 0.73 | S | S | * | * | trans | 65.5 | 151.8 | 146.3 | -76.8 | -79.8 | 0 | 0 | 0 | 123.9 | ||||
| 1170 | H | 34.2 | Very low | 34.2 | Very low | 164 Ų | 164 | 154.4 Ų | 154.4 | 76% | 0.759 | 74% | 0.737 | S | S | * | * | trans | -63.7 | 162.7 | -178.6 | -70.2 | -57.8 | 0 | 0 | 0 | 114.6 | ||||
| 1171 | P | 41 | Very low | 36.1 | Very low | 127 Ų | 127 | 150.9 Ų | 150.9 | 83% | 0.825 | 74% | 0.736 | S | S | * | * | -134.7 | 168.2 | 92.8 | 36.5 | -25.1 | 0 | 0 | 0 | 114.9 | |||||
| 1172 | H | 37 | Very low | 36.1 | Very low | 176 Ų | 176 | 151.4 Ų | 151.4 | 82% | 0.815 | 74% | 0.742 | S | S | * | * | trans | -123.9 | 145 | 172.6 | -125.5 | -89 | 0 | 0 | 0 | 109.5 | ||||
| 1173 | P | 49.8 | Very low | 36.2 | Very low | 114 Ų | 114 | 154.5 Ų | 154.5 | 74% | 0.74 | 75% | 0.754 | S | S | * | * | trans | -99.5 | 157.1 | -162.2 | 37.1 | -36.4 | 0 | 0 | 0 | 116.5 | ||||
| 1174 | Y | 27.6 | Very low | 37.4 | Very low | 226 Ų | 226 | 154 Ų | 154 | 89% | 0.886 | 76% | 0.761 | S | S | * | * | trans | -135.9 | 151 | 155.4 | -108.4 | -80.9 | 0 | 0 | 0 | 107.2 | ||||
| 1175 | Y | 33.7 | Very low | 37.7 | Very low | 203 Ų | 203 | 152.6 Ų | 152.6 | 80% | 0.796 | 76% | 0.763 | S | S | * | * | trans | 155.5 | 135.5 | 140 | -98.6 | -120.4 | 0 | 0 | 0 | 110 | ||||
| 1176 | N | 35 | Very low | 39.1 | Very low | 121 Ų | 121 | 150.8 Ų | 150.8 | 65% | 0.647 | 76% | 0.764 | S | S | * | * | 89 | 156.9 | 53.1 | -123.2 | -8.8 | 0 | 0 | 0 | 112.1 | |||||
| 1177 | S | 35.5 | Very low | 39.3 | Very low | 81 Ų | 81 | 149.3 Ų | 149.3 | 57% | 0.566 | 76% | 0.762 | S | S | * | * | cis | -156 | -178.8 | -2.3 | -149.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1178 | Q | 33.3 | Very low | 39.4 | Very low | 164 Ų | 164 | 150.3 Ų | 150.3 | 77% | 0.766 | 76% | 0.759 | S | S | * | * | -176.8 | 150.4 | 72.8 | -88.5 | -162.7 | -3.4 | 0 | 0 | 109.4 | |||||
| 1179 | N | 37 | Very low | 39.8 | Very low | 119 Ų | 119 | 150 Ų | 150 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | cis | -141.9 | 173.9 | 1.9 | -85.1 | -39.2 | 0 | 0 | 0 | 108 | ||||
| 1180 | A | 41.6 | Very low | 40.3 | Very low | 87 Ų | 87 | 145 Ų | 145 | 72% | 0.719 | 75% | 0.747 | S | S | * | * | cis | 67.2 | 150.9 | 36.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1181 | P | 71.3 | Confident | 40.4 | Very low | 107 Ų | 107 | 144.6 Ų | 144.6 | 70% | 0.695 | 75% | 0.75 | S | S | * | * | cis | -120.1 | 177 | 6.8 | 35.2 | -15.4 | 0 | 0 | 0 | 114.2 | ||||
| 1182 | F | 32 | Very low | 40.8 | Very low | 197 Ų | 197 | 144.6 Ų | 144.6 | 86% | 0.864 | 75% | 0.75 | S | S | * | * | cis | -140 | -159.5 | 32.1 | -107.5 | -78.6 | 0 | 0 | 0 | 114.7 | ||||
| 1183 | Q | 32.6 | Very low | 40.7 | Very low | 174 Ų | 174 | 147.9 Ų | 147.9 | 81% | 0.813 | 76% | 0.755 | S | S | * | * | trans | -139.5 | -176.4 | -148.5 | -108.7 | -173.6 | -8.7 | 0 | 0 | 115 | ||||
| 1184 | P | 58 | Low | 39.9 | Very low | 114 Ų | 114 | 148.5 Ų | 148.5 | 74% | 0.74 | 76% | 0.763 | S | S | * | * | cis | -136.3 | 170.4 | -20.8 | 33.6 | -13.1 | 0 | 0 | 0 | 117.1 | ||||
| 1185 | Q | 35.7 | Very low | 39.9 | Very low | 161 Ų | 161 | 141.1 Ų | 141.1 | 75% | 0.752 | 76% | 0.755 | S | S | * | * | trans | -149.5 | 172.7 | -179.3 | 108.6 | -48.4 | -44.7 | 0 | 0 | 118.3 | ||||
| 1186 | P | 59.6 | Low | 41.2 | Very low | 117 Ų | 117 | 137.3 Ų | 137.3 | 76% | 0.76 | 76% | 0.755 | S | S | * | * | trans | -108.3 | -165 | -176.1 | 42 | -36.3 | 0 | 0 | 0 | 117.8 | ||||
| 1187 | N | 38 | Very low | 40.8 | Very low | 127 Ų | 127 | 139.3 Ų | 139.3 | 68% | 0.679 | 77% | 0.765 | S | S | * | * | trans | -163.8 | 178.6 | -172.9 | -165.1 | 14 | 0 | 0 | 0 | 116.3 | ||||
| 1188 | Y | 38.7 | Very low | 41.5 | Very low | 202 Ų | 202 | 140.4 Ų | 140.4 | 79% | 0.792 | 77% | 0.77 | S | S | * | * | trans | 92.2 | 158.8 | 159.4 | -49.6 | -65.5 | 0 | 0 | 0 | 121.5 | ||||
| 1189 | H | 36.9 | Very low | 41.2 | Very low | 169 Ų | 169 | 140.8 Ų | 140.8 | 78% | 0.782 | 78% | 0.777 | S | S | * | * | cis | -174.8 | 167.6 | -37.8 | -169.6 | 59.3 | 0 | 0 | 0 | 114.2 | ||||
| 1190 | S | 38.6 | Very low | 40.9 | Very low | 94 Ų | 94 | 142 Ų | 142 | 66% | 0.657 | 78% | 0.778 | S | S | * | * | trans | 72.9 | 165.9 | 165.7 | 79.3 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1191 | L | 34.8 | Very low | 41.1 | Very low | 157 Ų | 157 | 143.8 Ų | 143.8 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | cis | -166.3 | -165.5 | -20.6 | -104.2 | 171 | 0 | 0 | 0 | 107.4 | ||||
| 1192 | P | 49.3 | Very low | 39.2 | Very low | 126 Ų | 126 | 144.3 Ų | 144.3 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | cis | -130.8 | -123.9 | -1.3 | 42.4 | -19.8 | 0 | 0 | 0 | 115.5 | ||||
| 1193 | R | 35.2 | Very low | 39.2 | Very low | 245 Ų | 245 | 143 Ų | 143 | 93% | 0.925 | 78% | 0.778 | S | S | * | * | trans | -159.7 | 135.6 | -173.2 | -167.8 | -170.4 | -161.5 | -152.3 | 7.7 | 117.4 | ||||
| 1194 | S | 34.3 | Very low | 39 | Very low | 128 Ų | 128 | 141 Ų | 141 | 90% | 0.895 | 77% | 0.772 | S | S | * | * | trans | -166.7 | -167.6 | 157.2 | 65.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 1195 | G | 27.1 | Very low | 37.7 | Very low | 71 Ų | 71 | 143.6 Ų | 143.6 | 73% | 0.732 | 78% | 0.779 | S | S | * | * | trans | -126.4 | -163.7 | -163.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1196 | P | 59.9 | Low | 37.2 | Very low | 122 Ų | 122 | 139.2 Ų | 139.2 | 79% | 0.792 | 78% | 0.776 | S | S | * | * | trans | -113.2 | -177.8 | -142.4 | 43.1 | -39.6 | 0 | 0 | 0 | 119.5 | ||||
| 1197 | L | 28.2 | Very low | 35.8 | Very low | 163 Ų | 163 | 139.3 Ų | 139.3 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | trans | 82.7 | 163.3 | 168.1 | -63.9 | 173.7 | 0 | 0 | 0 | 117.5 | ||||
| 1198 | P | 49.2 | Very low | 35.3 | Very low | 104 Ų | 104 | 136.8 Ų | 136.8 | 68% | 0.675 | 79% | 0.791 | S | S | * | * | cis | -138.9 | 162.4 | -11.3 | 25.9 | -2 | 0 | 0 | 0 | 118.8 | ||||
| 1199 | L | 26.4 | Very low | 35.5 | Very low | 173 Ų | 173 | 133.2 Ų | 133.2 | 91% | 0.906 | 79% | 0.793 | S | S | * | * | trans | 62.2 | 157.4 | 135.5 | -65.7 | 169.5 | 0 | 0 | 0 | 126.6 | ||||
| 1200 | H | 31.8 | Very low | 36.4 | Very low | 145 Ų | 145 | 130.7 Ų | 130.7 | 67% | 0.671 | 79% | 0.791 | S | S | * | * | trans | -63.2 | 170 | 171.1 | -120.3 | -125.9 | 0 | 0 | 0 | 113.6 | D1202 | H1200-D1202 IonicContact CE1-OD1 2.8Å; H1200-D1202 PolarHBondContact CE1-OD1 3.35Å; H1200-D1202 VanDerWaalsContact CE1-OD1 3.31Å; H1200-D1202 IonicContact CE1-OD2 2.77Å; H1200-D1202 PolarHBondContact CE1-OD2 2.75Å; H1200-D1202 VanDerWaalsContact CE1-OD2 3.25Å; H1200-D1202 IonicContact ND1-OD1 3.17Å; H1200-D1202 IonicContact ND1-OD2 2.75Å; H1200-D1202 PolarHBondContact ND1-OD2 2.77Å | ||
| 1201 | P | 46.1 | Very low | 36.9 | Very low | 123 Ų | 123 | 131.9 Ų | 131.9 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | -147 | -178.3 | 57.7 | 42.4 | -21.9 | 0 | 0 | 0 | 118.6 | |||||
| 1202 | D | 31.6 | Very low | 36.8 | Very low | 119 Ų | 119 | 129.3 Ų | 129.3 | 64% | 0.636 | 80% | 0.799 | S | S | * | * | trans | -83.1 | -179.5 | -172.5 | -49.7 | -102.9 | 0 | 0 | 0 | 116.6 | H1200 | H1200-D1202 IonicContact CE1-OD1 2.8Å; H1200-D1202 PolarHBondContact CE1-OD1 3.35Å; H1200-D1202 VanDerWaalsContact CE1-OD1 3.31Å; H1200-D1202 IonicContact CE1-OD2 2.77Å; H1200-D1202 PolarHBondContact CE1-OD2 2.75Å; H1200-D1202 VanDerWaalsContact CE1-OD2 3.25Å; H1200-D1202 IonicContact ND1-OD1 3.17Å; H1200-D1202 IonicContact ND1-OD2 2.75Å; H1200-D1202 PolarHBondContact ND1-OD2 2.77Å | ||
| 1203 | M | 30.3 | Very low | 35.9 | Very low | 168 Ų | 168 | 126.6 Ų | 126.6 | 83% | 0.828 | 79% | 0.793 | S | S | * | * | trans | 103.1 | 112.9 | 136.7 | -93.7 | -168.3 | 168.1 | 0 | 0 | 122.4 | ||||
| 1204 | L | 29.8 | Very low | 35.7 | Very low | 132 Ų | 132 | 127.5 Ų | 127.5 | 69% | 0.691 | 80% | 0.797 | S | S | * | * | 77.1 | 143.3 | 126.8 | -87 | 175.3 | 0 | 0 | 0 | 123.1 | |||||
| 1205 | L | 29.6 | Very low | 35.6 | Very low | 170 Ų | 170 | 124.6 Ų | 124.6 | 89% | 0.89 | 79% | 0.787 | S | S | * | * | trans | 68.8 | 138 | 162.4 | -58.9 | 158.5 | 0 | 0 | 0 | 117.2 | ||||
| 1206 | G | 26.9 | Very low | 35.7 | Very low | 68 Ų | 68 | 131 Ų | 131 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | cis | 167.2 | 154.4 | -10.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1207 | A | 28.2 | Very low | 34.3 | Very low | 119 Ų | 119 | 130 Ų | 130 | 98% | 0.983 | 79% | 0.791 | S | S | * | * | trans | 61.3 | 134.9 | 163 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1208 | G | 28.3 | Very low | 34.7 | Very low | 74 Ų | 74 | 128.7 Ų | 128.7 | 76% | 0.763 | 79% | 0.79 | S | S | * | * | trans | 153.4 | 122.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1209 | P | 42.3 | Very low | 34.4 | Very low | 128 Ų | 128 | 129.3 Ų | 129.3 | 83% | 0.831 | 79% | 0.794 | S | S | * | * | trans | -113.7 | -149 | -168.7 | 47.2 | -37.5 | 0 | 0 | 0 | 114.4 | ||||
| 1210 | P | 57.2 | Low | 35.3 | Very low | 115 Ų | 115 | 127.2 Ų | 127.2 | 75% | 0.747 | 79% | 0.791 | S | S | * | * | trans | -96.8 | -175.7 | -136.2 | 5.1 | 23 | 0 | 0 | 0 | 113.3 | ||||
| 1211 | P | 47.6 | Very low | 35.5 | Very low | 119 Ų | 119 | 131.9 Ų | 131.9 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | cis | -153.3 | 167.7 | 34.1 | 44.1 | -22.3 | 0 | 0 | 0 | 121.7 | ||||
| 1212 | A | 32.9 | Very low | 34.7 | Very low | 104 Ų | 104 | 133.9 Ų | 133.9 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | 57.4 | 137.7 | 138.8 | 0 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 1213 | G | 30.5 | Very low | 34.7 | Very low | 68 Ų | 68 | 136.3 Ų | 136.3 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | trans | 107.8 | 137.7 | 166.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1214 | W | 31.9 | Very low | 34.8 | Very low | 264 Ų | 264 | 137 Ų | 137 | 100% | 1 | 80% | 0.797 | S | S | * | * | cis | -133.6 | 168.1 | 3.5 | -76.7 | 53.6 | 0 | 0 | 0 | 110 | ||||
| 1215 | G | 31.5 | Very low | 34.8 | Very low | 67 Ų | 67 | 136.7 Ų | 136.7 | 69% | 0.691 | 79% | 0.792 | S | S | * | * | trans | -164.3 | 172.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1216 | F | 30.4 | Very low | 34.7 | Very low | 205 Ų | 205 | 137.1 Ų | 137.1 | 90% | 0.899 | 79% | 0.787 | S | S | * | * | trans | -146.3 | 164.4 | 176.1 | -93.9 | -79.6 | 0 | 0 | 0 | 111.9 | ||||
| 1217 | S | 29.6 | Very low | 34.8 | Very low | 102 Ų | 102 | 139 Ų | 139 | 71% | 0.713 | 79% | 0.789 | S | S | * | * | -151 | 158.7 | -120.5 | 45.6 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 1218 | T | 35.8 | Very low | 34.9 | Very low | 136 Ų | 136 | 137.8 Ų | 137.8 | 83% | 0.834 | 78% | 0.779 | S | S | * | * | trans | -84.8 | 148 | 169.2 | 52.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1219 | P | 43.2 | Very low | 35.4 | Very low | 117 Ų | 117 | 140.5 Ų | 140.5 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | -150.9 | -162.4 | 99.6 | 43.5 | -25.9 | 0 | 0 | 0 | 111.3 | |||||
| 1220 | P | 46.8 | Very low | 34.9 | Very low | 128 Ų | 128 | 140.9 Ų | 140.9 | 83% | 0.831 | 78% | 0.778 | S | S | * | * | cis | -129.6 | -175 | -6.1 | 41.9 | -24.8 | 0 | 0 | 0 | 115.4 | ||||
| 1221 | R | 35.6 | Very low | 33.6 | Very low | 244 Ų | 244 | 143.3 Ų | 143.3 | 92% | 0.921 | 78% | 0.784 | S | S | * | * | trans | -141.6 | 127 | -179.4 | -177.3 | -173.3 | -173.5 | -168.8 | 4.7 | 111.5 | ||||
| 1222 | M | 29.7 | Very low | 32.8 | Very low | 165 Ų | 165 | 145.9 Ų | 145.9 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | trans | -167.7 | 151.2 | 173.6 | -99.8 | -142.8 | -179 | 0 | 0 | 110.6 | ||||
| 1223 | R | 30.5 | Very low | 32.8 | Very low | 169 Ų | 169 | 148.4 Ų | 148.4 | 64% | 0.638 | 78% | 0.782 | S | S | * | * | cis | -166.7 | 146.5 | -12.6 | -151.6 | -162.6 | -175.9 | -178.9 | 3.3 | 110.6 | ||||
| 1224 | R | 32 | Very low | 32.9 | Very low | 184 Ų | 184 | 154.9 Ų | 154.9 | 69% | 0.694 | 79% | 0.791 | S | S | * | * | trans | 64.6 | 150.9 | 165.9 | -72.7 | 172.2 | 172.8 | -167.9 | -3.2 | 115.6 | ||||
| 1225 | Q | 29.5 | Very low | 32.9 | Very low | 125 Ų | 125 | 149.7 Ų | 149.7 | 58% | 0.584 | 78% | 0.778 | S | S | * | * | cis | -136.6 | -162.9 | -1.1 | -126.9 | 160.1 | -112.1 | 0 | 0 | 107.7 | ||||
| 1226 | F | 29.1 | Very low | 33.2 | Very low | 179 Ų | 179 | 153.3 Ų | 153.3 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | cis | -120 | -119.4 | 12.6 | -131.7 | -65.8 | 0 | 0 | 0 | 113.9 | ||||
| 1227 | S | 27.6 | Very low | 33.5 | Very low | 107 Ų | 107 | 149.8 Ų | 149.8 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | trans | -150 | 150.5 | -167 | -55.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1228 | A | 30.2 | Very low | 33.8 | Very low | 94 Ų | 94 | 156.9 Ų | 156.9 | 78% | 0.777 | 80% | 0.801 | S | S | * | * | trans | -123.1 | 146.2 | 156.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1229 | P | 39.1 | Very low | 33.7 | Very low | 130 Ų | 130 | 158 Ų | 158 | 84% | 0.844 | 80% | 0.8 | S | S | * | * | trans | -91 | 122.5 | 169.9 | 33.3 | -28.3 | 0 | 0 | 0 | 111 | ||||
| 1230 | D | 32 | Very low | 33.2 | Very low | 137 Ų | 137 | 160.1 Ų | 160.1 | 73% | 0.733 | 80% | 0.802 | S | S | * | * | trans | -98.3 | 131.5 | 162.7 | 173.1 | 26.5 | 0 | 0 | 0 | 108.3 | ||||
| 1231 | L | 29.7 | Very low | 32.5 | Very low | 165 Ų | 165 | 161.9 Ų | 161.9 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | trans | -145.2 | 111.7 | 174.1 | -97.7 | 177.1 | 0 | 0 | 0 | 111.5 | ||||
| 1232 | K | 30.6 | Very low | 32.3 | Very low | 173 Ų | 173 | 157.1 Ų | 157.1 | 75% | 0.752 | 79% | 0.793 | S | S | * | * | trans | -74.2 | 155.6 | 169.3 | -65.2 | 177.9 | 178.8 | 178.5 | 0 | 112 | ||||
| 1233 | N | 33.8 | Very low | 32.4 | Very low | 158 Ų | 158 | 156.6 Ų | 156.6 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | trans | -0.5 | 131.3 | 159.1 | -57.5 | 8 | 0 | 0 | 0 | 118.1 | ||||
| 1234 | K | 31.6 | Very low | 32.6 | Very low | 203 Ų | 203 | 155.7 Ų | 155.7 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | trans | -145.7 | 158.6 | 136.7 | -119.8 | 177.6 | -177.5 | -175.6 | 0 | 111.6 | ||||
| 1235 | E | 33.6 | Very low | 32.6 | Very low | 155 Ų | 155 | 153.7 Ų | 153.7 | 72% | 0.724 | 81% | 0.81 | S | S | * | * | trans | -98.7 | 161.4 | -161.5 | -50.4 | 137.2 | 100.6 | 0 | 0 | 114.1 | ||||
| 1236 | N | 36.5 | Very low | 32.8 | Very low | 143 Ų | 143 | 155.9 Ų | 155.9 | 77% | 0.765 | 83% | 0.827 | S | S | * | * | trans | 71.1 | 154 | 145.8 | -69.6 | -34.6 | 0 | 0 | 0 | 121.2 | ||||
| 1237 | V | 37.7 | Very low | 33.2 | Very low | 131 Ų | 131 | 154 Ų | 154 | 79% | 0.794 | 83% | 0.831 | S | S | * | * | trans | 68.3 | 103.8 | 173 | -161.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1238 | M | 35.6 | Very low | 33.7 | Very low | 252 Ų | 252 | 158.3 Ų | 158.3 | 100% | 1.241 | 84% | 0.838 | S | S | * | * | cis | -146.8 | 0 | 40.5 | -137.6 | 165.8 | -159.1 | 0 | 0 | 113.1 |
Retrieved 1,238 of 1,238 residues in 1392.4 ms
(Link to these results)