| 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 | 49.9 | Very low | 85.8 | Confident | 219 Ų | 219 | 64.5 Ų | 64.5 | 100% | 1.079 | 31% | 0.314 | S | S | * | . | 0 | 125.9 | 0 | -74 | -179.5 | -173.9 | 0 | 0 | 108.8 | |||||
| 2 | Y | 66.8 | Low | 86.9 | Confident | 224 Ų | 224 | 59.7 Ų | 59.7 | 88% | 0.878 | 29% | 0.293 | S | S | * | . | trans | -76.1 | 129.8 | -178.8 | -71.5 | -88.9 | 0 | 0 | 0 | 110.1 | ||||
| 3 | S | 78 | Confident | 87.6 | Confident | 66 Ų | 66 | 57.8 Ų | 57.8 | 46% | 0.462 | 28% | 0.28 | S | S | . | . | trans | -91.6 | 132.2 | 171.9 | 177.2 | 0 | 0 | 0 | 0 | 108.1 | R344 N345 | S3-R344 WeakPolarHBondContact OG-CB 3.33Å; S3-N345 WeakPolarHBondContact CA-O 3.5Å | ||
| 4 | E | 85.9 | Confident | 88.3 | Confident | 65 Ų | 65 | 58.5 Ų | 58.5 | 30% | 0.304 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 142.7 | 176.4 | -168.4 | -179.4 | 169.6 | 0 | 0 | 109.8 | R344 N345 P347 | E4-R344 CarbonylContact O-C 3.57Å; E4-R344 WeakPolarHBondContact O-CA 3.5Å; E4-N345 PolarHBondContact N-O 3.46Å; E4-N345 PolarHBondContact O-N 2.98Å; E4-P347 HydrophobicContact CB-CG 4.42Å |
| 5 | A | 87.5 | Confident | 88.8 | Confident | 38 Ų | 38 | 56.9 Ų | 56.9 | 31% | 0.314 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 149.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | K7 I343 R344 | A5-K7 PolarHBondContact O-N 3.05Å; A5-I343 WeakPolarHBondContact CA-O 3.41Å; A5-R344 VanDerWaalsContact CB-NH1 3.33Å |
| 6 | V | 90 | Very high | 89.1 | Confident | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.006 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -60.3 | 123.6 | 166.9 | 173.6 | 0 | 0 | 0 | 0 | 108.7 | V8 L308 T314 I343 | V6-V8 HydrophobicContact CG1-CG2 4.21Å; V6-L308 HydrophobicContact CG2-CD2 4.25Å; V6-T314 HydrophobicContact CG1-CG2 3.98Å; V6-T314 HydrophobicContact CG2-CG2 4.33Å; V6-I343 HydrophobicContact CB-CB 4.35Å; V6-I343 HydrophobicContact CG2-CB 3.65Å; V6-I343 HydrophobicContact CG2-CG2 3.68Å; V6-I343 PolarHBondContact N-O 3.32Å; V6-I343 VanDerWaalsContact N-O 3.1Å |
| 7 | K | 94.6 | Very high | 89.3 | Confident | 78 Ų | 78 | 63.1 Ų | 63.1 | 34% | 0.339 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 135.2 | 173.2 | -69.6 | -173.2 | -177.2 | 179.9 | 0 | 109.1 | A5 D55 T314 L315 M316 | A5-K7 PolarHBondContact O-N 3.05Å; K7-D55 WeakPolarHBondContact CA-OD2 3.14Å; K7-T314 PolarHBondContact N-O 2.98Å; K7-L315 HydrophobicContact CB-CD1 3.92Å; K7-L315 WeakPolarHBondContact O-CA 3.03Å; K7-M316 PolarHBondContact O-N 3.24Å |
| 8 | V | 96.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 123.3 | -179 | -176 | 0 | 0 | 0 | 0 | 108.9 | V6 F54 D55 M316 A337 A340 K341 | V6-V8 HydrophobicContact CG1-CG2 4.21Å; V8-F54 HydrophobicContact CB-CD1 4.33Å; V8-F54 HydrophobicContact CG1-CD1 3.75Å; V8-F54 HydrophobicContact CG1-CE1 4.17Å; V8-F54 WeakPolarHBondContact O-CB 3.49Å; V8-D55 PolarHBondContact N-OD2 3.35Å; V8-D55 WeakPolarHBondContact O-CB 3.42Å; V8-D55 PolarHBondContact O-N 2.84Å; V8-M316 WeakPolarHBondContact CA-O 3.33Å; V8-M316 HydrophobicContact CG1-CB 4.32Å; V8-M316 HydrophobicContact CG1-CG 4.4Å; V8-M316 HydrophobicContact CG1-SD 4.26Å; V8-M316 HydrophobicContact CG2-CB 4.18Å; V8-A337 HydrophobicContact CG1-CB 3.73Å; V8-A340 HydrophobicContact CG2-CB 3.92Å; V8-K341 HydrophobicContact CB-CD 4.44Å; V8-K341 HydrophobicContact CB-CG 3.69Å; V8-K341 HydrophobicContact CG1-CG 4.45Å; V8-K341 HydrophobicContact CG2-CB 4.33Å; V8-K341 HydrophobicContact CG2-CG 3.48Å; V8-K341 VanDerWaalsContact CG2-CG 3.48Å |
| 9 | I | 98.4 | Very high | 89.8 | Confident | 3 Ų | 3 | 66.9 Ų | 66.9 | 2% | 0.015 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 155.1 | 170.5 | 69 | 168.1 | 0 | 0 | 0 | 110.5 | G56 Y58 I67 A71 L315 M316 I317 A318 | I9-G56 CarbonylContact C-O 3.57Å; I9-G56 WeakPolarHBondContact CA-O 3.42Å; I9-Y58 HydrophobicContact CB-CD2 4.38Å; I9-Y58 HydrophobicContact CB-CE2 3.98Å; I9-Y58 HydrophobicContact CD1-CD2 4.09Å; I9-Y58 HydrophobicContact CD1-CE2 3.71Å; I9-Y58 HydrophobicContact CG1-CE2 4.41Å; I9-Y58 HydrophobicContact CG2-CE2 4.19Å; I9-I67 HydrophobicContact CD1-CG2 3.49Å; I9-I67 VanDerWaalsContact CD1-CG2 3.49Å; I9-A71 HydrophobicContact CD1-CB 4.02Å; I9-A71 HydrophobicContact CG2-CB 3.95Å; I9-L315 HydrophobicContact CG1-CD1 4.28Å; I9-L315 HydrophobicContact CG2-CD1 4.1Å; I9-M316 PolarHBondContact N-O 3.1Å; I9-I317 HydrophobicContact CD1-CB 4.41Å; I9-I317 HydrophobicContact CD1-CD1 4.38Å; I9-I317 HydrophobicContact CD1-CG1 3.9Å; I9-I317 HydrophobicContact CD1-CG2 4.04Å; I9-I317 HydrophobicContact CG1-CB 4.16Å; I9-I317 HydrophobicContact CG1-CG1 3.93Å; I9-I317 HydrophobicContact CG1-CG2 4.02Å; I9-A318 PolarHBondContact O-N 3.43Å |
| 10 | V | 98.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 142.1 | 170.7 | -67.9 | 0 | 0 | 0 | 0 | 110.9 | C37 F54 G56 S57 Y58 A318 L320 L334 | V10-C37 HydrophobicContact CG2-CB 3.94Å; V10-F54 HydrophobicContact CB-CD2 4.18Å; V10-F54 HydrophobicContact CB-CE2 4.4Å; V10-F54 HydrophobicContact CG1-CD1 4.1Å; V10-F54 HydrophobicContact CG1-CD2 3.47Å; V10-F54 VanDerWaalsContact CG1-CD2 3.47Å; V10-F54 HydrophobicContact CG1-CE1 4.06Å; V10-F54 HydrophobicContact CG1-CE2 3.4Å; V10-F54 HydrophobicContact CG1-CG 3.82Å; V10-F54 HydrophobicContact CG1-CZ 3.71Å; V10-F54 HydrophobicContact CG2-CD2 3.6Å; V10-F54 HydrophobicContact CG2-CE2 4.09Å; V10-F54 HydrophobicContact CG2-CG 4.25Å; V10-G56 PolarHBondContact N-O 3.24Å; V10-S57 VanDerWaalsContact CG2-OG 3.23Å; V10-S57 WeakPolarHBondContact CG2-OG 3.5Å; V10-Y58 WeakPolarHBondContact O-CD2 3.25Å; V10-Y58 PolarHBondContact O-N 3.2Å; V10-A318 CarbonylContact C-O 3.54Å; V10-A318 VanDerWaalsContact CA-O 3.3Å; V10-A318 WeakPolarHBondContact CA-O 3.49Å; V10-A318 HydrophobicContact CG1-CB 3.9Å; V10-L320 HydrophobicContact CB-CD1 3.92Å; V10-L320 HydrophobicContact CB-CG 4.49Å; V10-L320 HydrophobicContact CG1-CD1 4.22Å; V10-L334 HydrophobicContact CG1-CD2 4.08Å |
| 11 | R | 98.4 | Very high | 90.4 | Very high | 15 Ų | 15 | 73.2 Ų | 73.2 | 6% | 0.057 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 114.6 | 175.2 | -174.2 | -172.3 | -171.3 | 162.4 | 11 | 109.9 | Y58 T64 I67 T100 I317 A318 C319 L320 | R11-Y58 WeakPolarHBondContact CA-O 3.43Å; R11-T64 PolarHBondContact NH1-OG1 3.43Å; R11-T64 PolarHBondContact NH2-OG1 3.14Å; R11-I67 HydrophobicContact CB-CD1 4.38Å; R11-I67 HydrophobicContact CG-CD1 3.76Å; R11-T100 VanDerWaalsContact CD-OG1 3.29Å; R11-T100 WeakPolarHBondContact CD-OG1 3.41Å; R11-T100 PolarHBondContact NH1-OG1 3.49Å; R11-I317 HydrophobicContact CB-CG2 4.46Å; R11-A318 PolarHBondContact N-O 2.63Å; R11-C319 CarbonylContact O-C 3.3Å; R11-C319 WeakPolarHBondContact O-CA 3.47Å; R11-L320 PolarHBondContact O-N 3.19Å |
| 12 | A | 98.3 | Very high | 92.6 | Very high | 7 Ų | 7 | 67.8 Ų | 67.8 | 6% | 0.058 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 133 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110 | L28 V30 Y58 D59 E60 L320 | A12-L28 HydrophobicContact CB-CD1 3.9Å; A12-V30 HydrophobicContact CB-CG2 4.05Å; A12-Y58 PolarHBondContact N-O 3.24Å; A12-D59 CarbonylContact O-C 3.58Å; A12-D59 VanDerWaalsContact O-C 3.3Å; A12-E60 PolarHBondContact O-N 3.02Å; A12-L320 HydrophobicContact CB-CB 4.44Å |
| 13 | R | 96.6 | Very high | 93.9 | Very high | 35 Ų | 35 | 65.6 Ų | 65.6 | 13% | 0.132 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -90 | 163.1 | 169.8 | 64.4 | 154.8 | 176.7 | 79.4 | 0.5 | 110.8 | N16 E19 G94 L320 P322 | R13-N16 PolarHBondContact NH2-ND2 2.95Å; R13-E19 IonicContact CZ-OE1 3.58Å; R13-E19 IonicContact CZ-OE2 3.61Å; R13-E19 IonicContact NH1-OE1 3.86Å; R13-E19 IonicContact NH1-OE2 3.63Å; R13-E19 PolarHBondContact NH1-OE2 3.38Å; R13-E19 IonicContact NH2-OE1 2.65Å; R13-E19 PolarHBondContact NH2-OE1 3.1Å; R13-E19 IonicContact NH2-OE2 2.69Å; R13-E19 PolarHBondContact NH2-OE2 3.21Å; R13-G94 PolarHBondContact NE-O 3.21Å; R13-G94 PolarHBondContact NH2-O 2.91Å; R13-L320 PolarHBondContact N-O 2.84Å; R13-P322 VanDerWaalsContact O-CD 3.22Å; R13-P322 WeakPolarHBondContact O-CD 3.14Å; R13-P322 WeakPolarHBondContact O-CG 2.99Å |
| 14 | P | 96.7 | Very high | 94.7 | Very high | 68 Ų | 68 | 63.2 Ų | 63.2 | 44% | 0.442 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 164.5 | 166.5 | 26.6 | -34.7 | 0 | 0 | 0 | 112 | N16 E60 | P14-N16 PolarHBondContact O-N 3.25Å; P14-E60 HydrophobicContact CB-CB 3.93Å; P14-E60 HydrophobicContact CG-CB 4.44Å |
| 15 | L | 96.3 | Very high | 95.2 | Very high | 34 Ų | 34 | 64.3 Ų | 64.3 | 18% | 0.178 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -59.6 | 130 | 167.4 | -70.5 | 167.3 | 0 | 0 | 0 | 109.7 | E19 Q20 C24 P322 A323 | L15-E19 WeakPolarHBondContact CA-OE2 3.31Å; L15-E19 HydrophobicContact CB-CB 4.35Å; L15-E19 HydrophobicContact CD2-CB 3.89Å; L15-Q20 HydrophobicContact CB-CG 3.91Å; L15-Q20 PolarHBondContact O-NE2 3.38Å; L15-C24 HydrophobicContact CD2-CB 4.16Å; L15-P322 HydrophobicContact CD2-CB 4.45Å; L15-P322 HydrophobicContact CD2-CG 3.86Å; L15-P322 HydrophobicContact CG-CG 4.02Å; L15-A323 HydrophobicContact CD2-CB 3.79Å |
| 16 | N | 93.2 | Very high | 95.6 | Very high | 60 Ų | 60 | 66.1 Ų | 66.1 | 32% | 0.321 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -79.1 | 168.7 | 176.5 | 66.1 | 44.7 | 0 | 0 | 0 | 111.4 | R13 P14 R18 E19 Q20 | R13-N16 PolarHBondContact NH2-ND2 2.95Å; P14-N16 PolarHBondContact O-N 3.25Å; N16-R18 VanDerWaalsContact C-N 3.25Å; N16-R18 PolarHBondContact O-N 3.41Å; N16-R18 WeakPolarHBondContact OD1-CB 3.48Å; N16-R18 PolarHBondContact OD1-N 3.09Å; N16-R18 VanDerWaalsContact OD1-N 3.14Å; N16-E19 PolarHBondContact N-OE2 3.02Å; N16-E19 PolarHBondContact ND2-OE1 3.31Å; N16-E19 PolarHBondContact ND2-OE2 3.26Å; N16-E19 PolarHBondContact O-N 3.34Å; N16-E19 WeakPolarHBondContact OD1-CG 3.35Å; N16-E19 PolarHBondContact OD1-N 3.26Å; N16-Q20 WeakPolarHBondContact O-CG 3.41Å; N16-Q20 PolarHBondContact O-N 2.99Å |
| 17 | E | 93 | Very high | 96 | Very high | 160 Ų | 160 | 66.5 Ų | 66.5 | 75% | 0.748 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -53.2 | -41.9 | -178 | -64.9 | -179.6 | 177.6 | 0 | 0 | 113 | Q20 L21 | E17-Q20 PolarHBondContact O-N 3.48Å; E17-L21 WeakPolarHBondContact O-CB 3.18Å; E17-L21 VanDerWaalsContact O-CG 3.23Å; E17-L21 WeakPolarHBondContact O-CG 3.42Å; E17-L21 PolarHBondContact O-N 3.28Å |
| 18 | R | 92.6 | Very high | 96.1 | Very high | 187 Ų | 187 | 63.8 Ų | 63.8 | 71% | 0.706 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -64.8 | -43.1 | 178.7 | 178.6 | 179.4 | 174.2 | 167.5 | -0.9 | 111.9 | N16 L21 L22 | N16-R18 VanDerWaalsContact C-N 3.25Å; N16-R18 PolarHBondContact O-N 3.41Å; N16-R18 WeakPolarHBondContact OD1-CB 3.48Å; N16-R18 PolarHBondContact OD1-N 3.09Å; N16-R18 VanDerWaalsContact OD1-N 3.14Å; R18-L21 PolarHBondContact O-N 2.93Å; R18-L22 HydrophobicContact CG-CD1 4.08Å; R18-L22 WeakPolarHBondContact O-CB 3.29Å; R18-L22 VanDerWaalsContact O-CG 3.27Å; R18-L22 WeakPolarHBondContact O-CG 3Å; R18-L22 PolarHBondContact O-N 3.38Å |
| 19 | E | 95.9 | Very high | 96.2 | Very high | 11 Ų | 11 | 68.6 Ų | 68.6 | 5% | 0.051 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -68.1 | -37.2 | 178.8 | -70.9 | 162 | 174.8 | 0 | 0 | 111.6 | R13 L15 N16 L22 K23 C24 A323 N326 | R13-E19 IonicContact CZ-OE1 3.58Å; R13-E19 IonicContact CZ-OE2 3.61Å; R13-E19 IonicContact NH1-OE1 3.86Å; R13-E19 IonicContact NH1-OE2 3.63Å; R13-E19 PolarHBondContact NH1-OE2 3.38Å; R13-E19 IonicContact NH2-OE1 2.65Å; R13-E19 PolarHBondContact NH2-OE1 3.1Å; R13-E19 IonicContact NH2-OE2 2.69Å; R13-E19 PolarHBondContact NH2-OE2 3.21Å; L15-E19 WeakPolarHBondContact CA-OE2 3.31Å; L15-E19 HydrophobicContact CB-CB 4.35Å; L15-E19 HydrophobicContact CD2-CB 3.89Å; N16-E19 PolarHBondContact N-OE2 3.02Å; N16-E19 PolarHBondContact ND2-OE1 3.31Å; N16-E19 PolarHBondContact ND2-OE2 3.26Å; N16-E19 PolarHBondContact O-N 3.34Å; N16-E19 WeakPolarHBondContact OD1-CG 3.35Å; N16-E19 PolarHBondContact OD1-N 3.26Å; E19-L22 CarbonylContact O-C 3.58Å; E19-L22 PolarHBondContact O-N 3.31Å; E19-K23 PolarHBondContact O-N 3.13Å; E19-K23 VanDerWaalsContact O-N 3.07Å; E19-C24 HydrophobicContact CB-CB 4.15Å; E19-C24 WeakPolarHBondContact O-CB 3.41Å; E19-C24 PolarHBondContact O-N 3.23Å; E19-A323 HydrophobicContact CB-CB 4.38Å; E19-A323 HydrophobicContact CG-CB 3.86Å; E19-N326 PolarHBondContact OE1-ND2 2.83Å |
| 20 | Q | 96 | Very high | 96.2 | Very high | 121 Ų | 121 | 69.7 Ų | 69.7 | 57% | 0.565 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -63.9 | -44.3 | 172.5 | -66.4 | 176.2 | 26.8 | 0 | 0 | 111.4 | L15 N16 E17 L22 K23 | L15-Q20 HydrophobicContact CB-CG 3.91Å; L15-Q20 PolarHBondContact O-NE2 3.38Å; N16-Q20 WeakPolarHBondContact O-CG 3.41Å; N16-Q20 PolarHBondContact O-N 2.99Å; E17-Q20 PolarHBondContact O-N 3.48Å; Q20-L22 VanDerWaalsContact C-N 3.3Å; Q20-L22 PolarHBondContact O-N 3.32Å; Q20-K23 WeakPolarHBondContact O-CA 3.33Å; Q20-K23 PolarHBondContact O-N 3.11Å |
| 21 | L | 95.9 | Very high | 96.1 | Very high | 145 Ų | 145 | 73.6 Ų | 73.6 | 76% | 0.759 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -62.8 | -36.8 | 175.7 | -74.1 | 170.2 | 0 | 0 | 0 | 112.5 | E17 R18 K23 | E17-L21 WeakPolarHBondContact O-CB 3.18Å; E17-L21 VanDerWaalsContact O-CG 3.23Å; E17-L21 WeakPolarHBondContact O-CG 3.42Å; E17-L21 PolarHBondContact O-N 3.28Å; R18-L21 PolarHBondContact O-N 2.93Å; L21-K23 PolarHBondContact O-N 3.35Å |
| 22 | L | 95.1 | Very high | 95.9 | Very high | 105 Ų | 105 | 75 Ų | 75 | 55% | 0.55 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -3.7 | 173.5 | -69.5 | 173.8 | 0 | 0 | 0 | 113.3 | R18 E19 Q20 C24 | R18-L22 HydrophobicContact CG-CD1 4.08Å; R18-L22 WeakPolarHBondContact O-CB 3.29Å; R18-L22 VanDerWaalsContact O-CG 3.27Å; R18-L22 WeakPolarHBondContact O-CG 3Å; R18-L22 PolarHBondContact O-N 3.38Å; E19-L22 CarbonylContact O-C 3.58Å; E19-L22 PolarHBondContact O-N 3.31Å; Q20-L22 VanDerWaalsContact C-N 3.3Å; Q20-L22 PolarHBondContact O-N 3.32Å; L22-C24 VanDerWaalsContact C-N 3.25Å; L22-C24 PolarHBondContact O-N 3.48Å |
| 23 | K | 95 | Very high | 95.6 | Very high | 179 Ų | 179 | 82.8 Ų | 82.8 | 78% | 0.778 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54 | 41.1 | -176.4 | -56.2 | -178.8 | 179.2 | -179.2 | 0 | 112.6 | E19 Q20 L21 | E19-K23 PolarHBondContact O-N 3.13Å; E19-K23 VanDerWaalsContact O-N 3.07Å; Q20-K23 WeakPolarHBondContact O-CA 3.33Å; Q20-K23 PolarHBondContact O-N 3.11Å; L21-K23 PolarHBondContact O-N 3.35Å |
| 24 | C | 95.5 | Very high | 95.5 | Very high | 15 Ų | 15 | 85 Ų | 85 | 10% | 0.101 | 43% | 0.426 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 136.9 | 173.5 | -74.1 | 0 | 0 | 0 | 0 | 110.7 | L15 E19 L22 A323 D324 N325 | L15-C24 HydrophobicContact CD2-CB 4.16Å; E19-C24 HydrophobicContact CB-CB 4.15Å; E19-C24 WeakPolarHBondContact O-CB 3.41Å; E19-C24 PolarHBondContact O-N 3.23Å; L22-C24 VanDerWaalsContact C-N 3.25Å; L22-C24 PolarHBondContact O-N 3.48Å; C24-A323 HydrophobicContact CB-CB 3.94Å; C24-D324 WeakPolarHBondContact CA-OD1 3.03Å; C24-D324 VanDerWaalsContact CB-OD1 3.31Å; C24-D324 WeakPolarHBondContact CB-OD1 3.39Å; C24-D324 PolarHBondContact SG-OD1 3.39Å; C24-N325 PolarHBondContact SG-ND2 3.31Å; C24-N325 VanDerWaalsContact SG-ND2 3.44Å |
| 25 | D | 95.6 | Very high | 95.5 | Very high | 89 Ų | 89 | 82 Ų | 82 | 48% | 0.476 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -76.6 | 143.4 | 171.3 | -74 | -29.4 | 0 | 0 | 0 | 110.4 | I27 D324 | D25-I27 PolarHBondContact O-N 3.45Å; D25-D324 HydrophobicContact CB-CB 4.26Å; D25-D324 PolarHBondContact N-OD2 3.08Å; D25-D324 PolarHBondContact O-N 3.07Å |
| 26 | N | 96.7 | Very high | 95.5 | Very high | 76 Ų | 76 | 82.4 Ų | 82.4 | 41% | 0.406 | 41% | 0.409 | S | S | . | . | B | Isolated β-bridge | trans | -76.6 | 118.5 | 169.4 | -170.6 | -17.3 | 0 | 0 | 0 | 109.6 | L28 P322 | N26-L28 PolarHBondContact OD1-N 3.14Å; N26-L28 PolarHBondContact OD1-O 3.24Å; N26-P322 CarbonylContact C-O 3.52Å; N26-P322 WeakPolarHBondContact CA-O 3.36Å; N26-P322 WeakPolarHBondContact OD1-CB 3.14Å |
| 27 | I | 97.4 | Very high | 95.8 | Very high | 9 Ų | 9 | 79.5 Ų | 79.5 | 5% | 0.046 | 39% | 0.393 | C | S | . | . | trans | -99.3 | 0.8 | -179.2 | 53.4 | 158.2 | 0 | 0 | 0 | 113.9 | D25 I39 A40 P42 P322 D324 Y327 | D25-I27 PolarHBondContact O-N 3.45Å; I27-I39 HydrophobicContact CD1-CD1 4.02Å; I27-I39 HydrophobicContact CD1-CG1 4.04Å; I27-I39 CarbonylContact O-C 3.5Å; I27-I39 VanDerWaalsContact O-CA 3.31Å; I27-I39 WeakPolarHBondContact O-CA 3.37Å; I27-A40 PolarHBondContact O-N 3.45Å; I27-P42 HydrophobicContact CG2-CB 4.41Å; I27-P322 WeakPolarHBondContact CG1-O 3.38Å; I27-P322 PolarHBondContact N-O 3.37Å; I27-D324 HydrophobicContact CG2-CB 3.75Å; I27-Y327 VanDerWaalsContact CD1-CA 3.45Å; I27-Y327 HydrophobicContact CD1-CD2 3.78Å; I27-Y327 HydrophobicContact CD1-CG 4.26Å | ||
| 28 | L | 97.9 | Very high | 96 | Very high | 20 Ų | 20 | 72.1 Ų | 72.1 | 11% | 0.105 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 139.9 | -177.5 | -68.6 | 176.9 | 0 | 0 | 0 | 111.8 | A12 N26 S38 I39 L320 P322 T330 | A12-L28 HydrophobicContact CB-CD1 3.9Å; N26-L28 PolarHBondContact OD1-N 3.14Å; N26-L28 PolarHBondContact OD1-O 3.24Å; L28-S38 WeakPolarHBondContact CA-O 3.46Å; L28-I39 HydrophobicContact CD2-CB 3.94Å; L28-I39 HydrophobicContact CD2-CD1 4.38Å; L28-I39 HydrophobicContact CD2-CG1 3.95Å; L28-L320 HydrophobicContact CD1-CB 3.73Å; L28-L320 HydrophobicContact CD1-CD1 4.23Å; L28-P322 HydrophobicContact CD1-CB 4.39Å; L28-T330 HydrophobicContact CD1-CG2 4.06Å; L28-T330 HydrophobicContact CD2-CG2 3.84Å; L28-T330 HydrophobicContact CG-CG2 4.3Å |
| 29 | E | 97.4 | Very high | 96.2 | Very high | 102 Ų | 102 | 63.3 Ų | 63.3 | 48% | 0.477 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 121.6 | 167.2 | -172.6 | -178.7 | -150.5 | 0 | 0 | 107.7 | F31 S38 | E29-F31 HydrophobicContact CB-CE2 4.49Å; E29-F31 HydrophobicContact CG-CD2 4.43Å; E29-F31 HydrophobicContact CG-CE1 4.41Å; E29-F31 HydrophobicContact CG-CE2 3.62Å; E29-F31 HydrophobicContact CG-CZ 3.62Å; E29-F31 VanDerWaalsContact OE1-CZ 3.24Å; E29-F31 WeakPolarHBondContact OE1-CZ 3.31Å; E29-S38 PolarHBondContact N-O 2.82Å; E29-S38 PolarHBondContact O-N 3.02Å |
| 30 | V | 97.9 | Very high | 96.3 | Very high | 26 Ų | 26 | 64.7 Ų | 64.7 | 16% | 0.158 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 126.7 | -173.1 | 179.1 | 0 | 0 | 0 | 0 | 109.1 | A12 D59 | A12-V30 HydrophobicContact CB-CG2 4.05Å; V30-D59 HydrophobicContact CB-CB 3.94Å; V30-D59 HydrophobicContact CG1-CB 4.15Å |
| 31 | F | 96.6 | Very high | 96.3 | Very high | 82 Ų | 82 | 59.8 Ų | 59.8 | 36% | 0.36 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 95.2 | 176.9 | -57.8 | -85.5 | 0 | 0 | 0 | 109.4 | E29 N33 T34 G35 Q36 | E29-F31 HydrophobicContact CB-CE2 4.49Å; E29-F31 HydrophobicContact CG-CD2 4.43Å; E29-F31 HydrophobicContact CG-CE1 4.41Å; E29-F31 HydrophobicContact CG-CE2 3.62Å; E29-F31 HydrophobicContact CG-CZ 3.62Å; E29-F31 VanDerWaalsContact OE1-CZ 3.24Å; E29-F31 WeakPolarHBondContact OE1-CZ 3.31Å; F31-N33 VanDerWaalsContact C-N 3.26Å; F31-N33 PolarHBondContact O-N 3.31Å; F31-T34 WeakPolarHBondContact CB-OG1 3.35Å; F31-T34 PolarHBondContact O-N 3.44Å; F31-T34 PolarHBondContact O-OG1 3.49Å; F31-G35 PolarHBondContact O-N 3.29Å; F31-Q36 HydrophobicContact CB-CB 4.2Å; F31-Q36 HydrophobicContact CD2-CB 4.23Å; F31-Q36 HydrophobicContact CD2-CG 4.19Å; F31-Q36 PolarHBondContact N-O 2.92Å; F31-Q36 PolarHBondContact O-N 3.01Å |
| 32 | S | 94.1 | Very high | 96.1 | Very high | 45 Ų | 45 | 54.7 Ų | 54.7 | 32% | 0.315 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -60.5 | -35.6 | -174.4 | -44.1 | 0 | 0 | 0 | 0 | 113 | T34 G35 S57 | S32-T34 VanDerWaalsContact C-N 3.26Å; S32-T34 PolarHBondContact O-N 3.23Å; S32-G35 PolarHBondContact O-N 3.47Å; S32-S57 WeakPolarHBondContact CA-O 3.42Å; S32-S57 VanDerWaalsContact CB-O 3.23Å; S32-S57 WeakPolarHBondContact CB-O 3.49Å; S32-S57 PolarHBondContact OG-O 3.4Å |
| 33 | N | 92.3 | Very high | 95.9 | Very high | 169 Ų | 169 | 57.2 Ų | 57.2 | 90% | 0.904 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -65.1 | -25.6 | -178.7 | -62.7 | -14.9 | 0 | 0 | 0 | 114.1 | F31 | F31-N33 VanDerWaalsContact C-N 3.26Å; F31-N33 PolarHBondContact O-N 3.31Å |
| 34 | T | 94.4 | Very high | 95.8 | Very high | 82 Ų | 82 | 52.2 Ų | 52.2 | 50% | 0.503 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -112.2 | 0.8 | -177.5 | 57.2 | 0 | 0 | 0 | 0 | 112.7 | F31 S32 Q36 | F31-T34 WeakPolarHBondContact CB-OG1 3.35Å; F31-T34 PolarHBondContact O-N 3.44Å; F31-T34 PolarHBondContact O-OG1 3.49Å; S32-T34 VanDerWaalsContact C-N 3.26Å; S32-T34 PolarHBondContact O-N 3.23Å; T34-Q36 PolarHBondContact O-N 3.24Å; T34-Q36 VanDerWaalsContact OG1-CB 3.29Å; T34-Q36 WeakPolarHBondContact OG1-CB 3.5Å |
| 35 | G | 95.8 | Very high | 95.3 | Very high | 6 Ų | 6 | 59.9 Ų | 59.9 | 6% | 0.062 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | 27.3 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | F31 S32 F53 F54 S57 | F31-G35 PolarHBondContact O-N 3.29Å; S32-G35 PolarHBondContact O-N 3.47Å; G35-F53 WeakPolarHBondContact O-CA 3.49Å; G35-F54 PolarHBondContact O-N 2.76Å; G35-S57 PolarHBondContact O-OG 3.36Å |
| 36 | Q | 97.7 | Very high | 95.1 | Very high | 41 Ų | 41 | 65 Ų | 65 | 19% | 0.192 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 137.8 | -176.7 | -176.6 | -172.1 | -34.3 | 0 | 0 | 111.2 | F31 T34 S38 V51 F52 F53 | F31-Q36 HydrophobicContact CB-CB 4.2Å; F31-Q36 HydrophobicContact CD2-CB 4.23Å; F31-Q36 HydrophobicContact CD2-CG 4.19Å; F31-Q36 PolarHBondContact N-O 2.92Å; F31-Q36 PolarHBondContact O-N 3.01Å; T34-Q36 PolarHBondContact O-N 3.24Å; T34-Q36 VanDerWaalsContact OG1-CB 3.29Å; T34-Q36 WeakPolarHBondContact OG1-CB 3.5Å; Q36-S38 PolarHBondContact NE2-OG 3.36Å; Q36-S38 VanDerWaalsContact NE2-OG 3.1Å; Q36-V51 HydrophobicContact CG-CG1 3.46Å; Q36-V51 VanDerWaalsContact CG-CG1 3.46Å; Q36-F52 WeakPolarHBondContact CA-O 3.48Å; Q36-F53 HydrophobicContact CB-CD1 3.97Å; Q36-F53 HydrophobicContact CB-CE1 3.76Å; Q36-F53 HydrophobicContact CG-CD1 4.28Å; Q36-F53 HydrophobicContact CG-CE1 3.82Å; Q36-F53 HydrophobicContact CG-CZ 4.13Å |
| 37 | C | 98 | Very high | 94.9 | Very high | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 122.2 | 169.2 | 179.6 | 0 | 0 | 0 | 0 | 110 | V10 F52 F54 L334 | V10-C37 HydrophobicContact CG2-CB 3.94Å; C37-F52 PolarHBondContact N-O 3.07Å; C37-F52 PolarHBondContact O-N 3.13Å; C37-F54 HydrophobicContact CB-CD2 4.36Å; C37-F54 HydrophobicContact CB-CE2 4.18Å; C37-L334 HydrophobicContact CB-CD2 4.38Å |
| 38 | S | 97.5 | Very high | 94.7 | Very high | 5 Ų | 5 | 71.5 Ų | 71.5 | 4% | 0.035 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 141.7 | 178 | -54.5 | 0 | 0 | 0 | 0 | 110.3 | L28 E29 Q36 K50 | L28-S38 WeakPolarHBondContact CA-O 3.46Å; E29-S38 PolarHBondContact N-O 2.82Å; E29-S38 PolarHBondContact O-N 3.02Å; Q36-S38 PolarHBondContact NE2-OG 3.36Å; Q36-S38 VanDerWaalsContact NE2-OG 3.1Å; S38-K50 CarbonylContact C-O 3.55Å; S38-K50 VanDerWaalsContact CA-O 3.27Å; S38-K50 WeakPolarHBondContact CA-O 3.47Å |
| 39 | I | 97.9 | Very high | 94.6 | Very high | 1 Ų | 1 | 73.7 Ų | 73.7 | 1% | 0.005 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 121.5 | 175.8 | -170.1 | -179.3 | 0 | 0 | 0 | 111.3 | I27 L28 P49 K50 F52 Y327 T330 L331 L334 | I27-I39 HydrophobicContact CD1-CD1 4.02Å; I27-I39 HydrophobicContact CD1-CG1 4.04Å; I27-I39 CarbonylContact O-C 3.5Å; I27-I39 VanDerWaalsContact O-CA 3.31Å; I27-I39 WeakPolarHBondContact O-CA 3.37Å; L28-I39 HydrophobicContact CD2-CB 3.94Å; L28-I39 HydrophobicContact CD2-CD1 4.38Å; L28-I39 HydrophobicContact CD2-CG1 3.95Å; I39-P49 WeakPolarHBondContact O-CA 3.46Å; I39-K50 HydrophobicContact CG2-CB 3.86Å; I39-K50 PolarHBondContact N-O 3.23Å; I39-K50 PolarHBondContact O-N 3.29Å; I39-F52 HydrophobicContact CG2-CE2 4.02Å; I39-Y327 HydrophobicContact CD1-CD2 3.77Å; I39-Y327 HydrophobicContact CD1-CE2 3.83Å; I39-Y327 HydrophobicContact CG1-CD2 3.93Å; I39-Y327 HydrophobicContact CG1-CE2 3.82Å; I39-T330 HydrophobicContact CD1-CG2 3.82Å; I39-L331 HydrophobicContact CD1-CB 4.03Å; I39-L331 HydrophobicContact CG2-CD1 4.11Å; I39-L334 HydrophobicContact CB-CD1 3.94Å; I39-L334 HydrophobicContact CD1-CD1 4.1Å; I39-L334 HydrophobicContact CG2-CD1 3.8Å |
| 40 | A | 97.1 | Very high | 94.6 | Very high | 41 Ų | 41 | 70.8 Ų | 70.8 | 34% | 0.339 | 37% | 0.372 | S | S | . | . | trans | -89.5 | 142.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | I27 P42 Y327 | I27-A40 PolarHBondContact O-N 3.45Å; A40-P42 WeakPolarHBondContact O-CD 3.31Å; A40-Y327 VanDerWaalsContact O-CD2 3.24Å; A40-Y327 WeakPolarHBondContact O-CD2 3.38Å; A40-Y327 WeakPolarHBondContact O-CE2 3.37Å | ||
| 41 | S | 95.6 | Very high | 94.6 | Very high | 17 Ų | 17 | 72.8 Ų | 72.8 | 12% | 0.119 | 38% | 0.384 | C | S | . | . | trans | -80.6 | 117.2 | 178.5 | 179.1 | 0 | 0 | 0 | 0 | 110.5 | N43 D44 | S41-N43 VanDerWaalsContact C-N 3.26Å; S41-N43 PolarHBondContact O-N 2.93Å; S41-D44 CarbonylContact O-C 3.47Å; S41-D44 PolarHBondContact O-N 3.28Å | ||
| 42 | P | 93.2 | Very high | 94.7 | Very high | 39 Ų | 39 | 70 Ų | 70 | 25% | 0.253 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -31.4 | -179 | 26.4 | -34.4 | 0 | 0 | 0 | 112.4 | I27 A40 D324 Y327 | I27-P42 HydrophobicContact CG2-CB 4.41Å; A40-P42 WeakPolarHBondContact O-CD 3.31Å; P42-D324 HydrophobicContact CB-CB 3.92Å; P42-D324 HydrophobicContact CG-CB 4.45Å; P42-Y327 VanDerWaalsContact CD-CG 3.5Å; P42-Y327 HydrophobicContact CG-CD2 4.29Å; P42-Y327 HydrophobicContact CG-CG 4.02Å |
| 43 | N | 91.2 | Very high | 94.8 | Very high | 158 Ų | 158 | 73.1 Ų | 73.1 | 85% | 0.845 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -11.3 | -178.6 | -64.3 | -26.5 | 0 | 0 | 0 | 114.1 | S41 | S41-N43 VanDerWaalsContact C-N 3.26Å; S41-N43 PolarHBondContact O-N 2.93Å |
| 44 | D | 91 | Very high | 95.1 | Very high | 73 Ų | 73 | 65.7 Ų | 65.7 | 39% | 0.39 | 34% | 0.34 | S | S | . | . | trans | -148 | 86.7 | -176.6 | -173.2 | -5.2 | 0 | 0 | 0 | 110.4 | S41 K46 R47 | S41-D44 CarbonylContact O-C 3.47Å; S41-D44 PolarHBondContact O-N 3.28Å; D44-K46 PolarHBondContact O-N 3.47Å; D44-K46 PolarHBondContact OD1-N 3.48Å; D44-K46 VanDerWaalsContact OD1-N 3.15Å; D44-R47 HydrophobicContact CB-CB 4.04Å; D44-R47 WeakPolarHBondContact O-CB 3.5Å; D44-R47 PolarHBondContact O-N 3.37Å; D44-R47 PolarHBondContact OD1-N 3.12Å | ||
| 45 | K | 86 | Confident | 95.2 | Very high | 176 Ų | 176 | 66.3 Ų | 66.3 | 77% | 0.765 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -14.2 | -179.9 | -61.1 | -169.9 | 178.2 | -167.6 | 0 | 113.5 | ||
| 46 | K | 90.5 | Very high | 95.3 | Very high | 197 Ų | 197 | 66.4 Ų | 66.4 | 86% | 0.857 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -21.3 | 175.9 | -66.3 | -176.7 | -179.9 | 179.7 | 0 | 112 | D44 | D44-K46 PolarHBondContact O-N 3.47Å; D44-K46 PolarHBondContact OD1-N 3.48Å; D44-K46 VanDerWaalsContact OD1-N 3.15Å |
| 47 | R | 92.6 | Very high | 95.4 | Very high | 121 Ų | 121 | 64.5 Ų | 64.5 | 46% | 0.457 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -69.3 | 128.8 | 176.4 | -173.1 | 178.3 | -176.6 | 160.3 | 9.5 | 109.8 | D44 | D44-R47 HydrophobicContact CB-CB 4.04Å; D44-R47 WeakPolarHBondContact O-CB 3.5Å; D44-R47 PolarHBondContact O-N 3.37Å; D44-R47 PolarHBondContact OD1-N 3.12Å |
| 48 | P | 94.2 | Very high | 95.4 | Very high | 101 Ų | 101 | 65 Ų | 65 | 66% | 0.656 | 33% | 0.334 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 144.2 | 175.3 | 24.6 | -33.3 | 0 | 0 | 0 | 110.8 | ||
| 49 | P | 96.1 | Very high | 95.3 | Very high | 65 Ų | 65 | 66.8 Ų | 66.8 | 42% | 0.422 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -55 | 144.7 | 174.8 | -25.1 | 34.3 | 0 | 0 | 0 | 111.7 | I39 | I39-P49 WeakPolarHBondContact O-CA 3.46Š|
| 50 | K | 97.4 | Very high | 95.2 | Very high | 41 Ų | 41 | 71.2 Ų | 71.2 | 18% | 0.178 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 130 | 170.2 | -67.9 | 171.5 | -176.9 | 154 | 0 | 108.2 | S38 I39 F52 Y327 L331 | S38-K50 CarbonylContact C-O 3.55Å; S38-K50 VanDerWaalsContact CA-O 3.27Å; S38-K50 WeakPolarHBondContact CA-O 3.47Å; I39-K50 HydrophobicContact CG2-CB 3.86Å; I39-K50 PolarHBondContact N-O 3.23Å; I39-K50 PolarHBondContact O-N 3.29Å; K50-F52 HydrophobicContact CB-CE2 3.94Å; K50-Y327 PolarHBondContact NZ-OH 3.4Å; K50-Y327 VanDerWaalsContact NZ-OH 3.12Å; K50-L331 HydrophobicContact CD-CD1 3.68Å; K50-L331 HydrophobicContact CD-CD2 4.49Å |
| 51 | V | 97.7 | Very high | 95.2 | Very high | 68 Ų | 68 | 75 Ų | 75 | 41% | 0.412 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 134.9 | -175.9 | -175.3 | 0 | 0 | 0 | 0 | 109.9 | Q36 F53 | Q36-V51 HydrophobicContact CG-CG1 3.46Å; Q36-V51 VanDerWaalsContact CG-CG1 3.46Å; V51-F53 HydrophobicContact CG1-CD2 4.47Å; V51-F53 HydrophobicContact CG1-CE2 3.77Å; V51-F53 HydrophobicContact CG1-CZ 3.89Å |
| 52 | F | 98.1 | Very high | 95.3 | Very high | 25 Ų | 25 | 74.4 Ų | 74.4 | 11% | 0.11 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 152.3 | 176.4 | -61.1 | -92.6 | 0 | 0 | 0 | 110.1 | Q36 C37 I39 K50 F54 L331 L334 R335 N338 | Q36-F52 WeakPolarHBondContact CA-O 3.48Å; C37-F52 PolarHBondContact N-O 3.07Å; C37-F52 PolarHBondContact O-N 3.13Å; I39-F52 HydrophobicContact CG2-CE2 4.02Å; K50-F52 HydrophobicContact CB-CE2 3.94Å; F52-F54 HydrophobicContact CB-CD2 4.33Å; F52-F54 HydrophobicContact CB-CE2 3.4Å; F52-F54 HydrophobicContact CB-CZ 3.64Å; F52-F54 HydrophobicContact CG-CE2 4.38Å; F52-F54 HydrophobicContact CG-CZ 4.28Å; F52-L331 HydrophobicContact CE2-CD1 4.22Å; F52-L331 HydrophobicContact CZ-CD1 4.06Å; F52-L334 HydrophobicContact CD1-CB 4.47Å; F52-L334 HydrophobicContact CD2-CB 4.04Å; F52-L334 HydrophobicContact CD2-CD1 3.97Å; F52-L334 HydrophobicContact CD2-CD2 4.29Å; F52-L334 HydrophobicContact CD2-CG 4.34Å; F52-L334 HydrophobicContact CE1-CB 4.32Å; F52-L334 HydrophobicContact CE2-CB 3.88Å; F52-L334 HydrophobicContact CE2-CD1 3.94Å; F52-L334 HydrophobicContact CE2-CG 4.45Å; F52-L334 HydrophobicContact CG-CB 4.33Å; F52-L334 HydrophobicContact CG-CD2 4.5Å; F52-L334 HydrophobicContact CZ-CB 4.03Å; F52-R335 HydrophobicContact CE1-CG 4.27Å; F52-R335 HydrophobicContact CZ-CG 4.2Å; F52-N338 HydrophobicContact CD1-CB 4.1Å; F52-N338 HydrophobicContact CE1-CB 4.48Å |
| 53 | F | 97.6 | Very high | 95.5 | Very high | 110 Ų | 110 | 74.1 Ų | 74.1 | 48% | 0.482 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 129.6 | 179.1 | -65.4 | -87.2 | 0 | 0 | 0 | 110.9 | G35 Q36 V51 K341 | G35-F53 WeakPolarHBondContact O-CA 3.49Å; Q36-F53 HydrophobicContact CB-CD1 3.97Å; Q36-F53 HydrophobicContact CB-CE1 3.76Å; Q36-F53 HydrophobicContact CG-CD1 4.28Å; Q36-F53 HydrophobicContact CG-CE1 3.82Å; Q36-F53 HydrophobicContact CG-CZ 4.13Å; V51-F53 HydrophobicContact CG1-CD2 4.47Å; V51-F53 HydrophobicContact CG1-CE2 3.77Å; V51-F53 HydrophobicContact CG1-CZ 3.89Å; F53-K341 PolarHBondContact O-NZ 3.02Å |
| 54 | F | 97.7 | Very high | 95.8 | Very high | 13 Ų | 13 | 66.6 Ų | 66.6 | 6% | 0.057 | 33% | 0.331 | C | S | . | . | trans | -126.8 | 169.1 | -174.5 | -61.8 | -72.4 | 0 | 0 | 0 | 110.7 | V8 V10 G35 C37 F52 G56 L334 A337 N338 K341 | V8-F54 HydrophobicContact CB-CD1 4.33Å; V8-F54 HydrophobicContact CG1-CD1 3.75Å; V8-F54 HydrophobicContact CG1-CE1 4.17Å; V8-F54 WeakPolarHBondContact O-CB 3.49Å; V10-F54 HydrophobicContact CB-CD2 4.18Å; V10-F54 HydrophobicContact CB-CE2 4.4Å; V10-F54 HydrophobicContact CG1-CD1 4.1Å; V10-F54 HydrophobicContact CG1-CD2 3.47Å; V10-F54 VanDerWaalsContact CG1-CD2 3.47Å; V10-F54 HydrophobicContact CG1-CE1 4.06Å; V10-F54 HydrophobicContact CG1-CE2 3.4Å; V10-F54 HydrophobicContact CG1-CG 3.82Å; V10-F54 HydrophobicContact CG1-CZ 3.71Å; V10-F54 HydrophobicContact CG2-CD2 3.6Å; V10-F54 HydrophobicContact CG2-CE2 4.09Å; V10-F54 HydrophobicContact CG2-CG 4.25Å; G35-F54 PolarHBondContact O-N 2.76Å; C37-F54 HydrophobicContact CB-CD2 4.36Å; C37-F54 HydrophobicContact CB-CE2 4.18Å; F52-F54 HydrophobicContact CB-CD2 4.33Å; F52-F54 HydrophobicContact CB-CE2 3.4Å; F52-F54 HydrophobicContact CB-CZ 3.64Å; F52-F54 HydrophobicContact CG-CE2 4.38Å; F52-F54 HydrophobicContact CG-CZ 4.28Å; F54-G56 WeakPolarHBondContact CB-O 3.47Å; F54-G56 PolarHBondContact O-N 2.68Å; F54-L334 HydrophobicContact CE2-CD2 3.67Å; F54-L334 HydrophobicContact CZ-CD2 3.79Å; F54-A337 HydrophobicContact CD1-CB 4.43Å; F54-A337 HydrophobicContact CE1-CB 3.59Å; F54-A337 HydrophobicContact CZ-CB 4.11Å; F54-N338 HydrophobicContact CE1-CB 4.43Å; F54-K341 HydrophobicContact CD1-CD 4.16Å | ||
| 55 | D | 97.2 | Very high | 96.1 | Very high | 95 Ų | 95 | 66.9 Ų | 66.9 | 51% | 0.508 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -69.6 | -20.7 | 177.1 | -54.4 | -64.1 | 0 | 0 | 0 | 111.4 | K7 V8 | K7-D55 WeakPolarHBondContact CA-OD2 3.14Å; V8-D55 PolarHBondContact N-OD2 3.35Å; V8-D55 WeakPolarHBondContact O-CB 3.42Å; V8-D55 PolarHBondContact O-N 2.84Å |
| 56 | G | 97.7 | Very high | 96.7 | Very high | 7 Ų | 7 | 62 Ų | 62 | 7% | 0.072 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 145.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | I9 V10 F54 | I9-G56 CarbonylContact C-O 3.57Å; I9-G56 WeakPolarHBondContact CA-O 3.42Å; V10-G56 PolarHBondContact N-O 3.24Å; F54-G56 WeakPolarHBondContact CB-O 3.47Å; F54-G56 PolarHBondContact O-N 2.68Å |
| 57 | S | 98.1 | Very high | 97.1 | Very high | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.007 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 129.5 | 174.7 | -63.4 | 0 | 0 | 0 | 0 | 109.7 | V10 S32 G35 | V10-S57 VanDerWaalsContact CG2-OG 3.23Å; V10-S57 WeakPolarHBondContact CG2-OG 3.5Å; S32-S57 WeakPolarHBondContact CA-O 3.42Å; S32-S57 VanDerWaalsContact CB-O 3.23Å; S32-S57 WeakPolarHBondContact CB-O 3.49Å; S32-S57 PolarHBondContact OG-O 3.4Å; G35-S57 PolarHBondContact O-OG 3.36Å |
| 58 | Y | 98.5 | Very high | 97.4 | Very high | 11 Ų | 11 | 47.2 Ų | 47.2 | 4% | 0.043 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 127.4 | -171.2 | -60.1 | -79.3 | 0 | 0 | 0 | 109.8 | I9 V10 R11 A12 Q66 I67 D70 | I9-Y58 HydrophobicContact CB-CD2 4.38Å; I9-Y58 HydrophobicContact CB-CE2 3.98Å; I9-Y58 HydrophobicContact CD1-CD2 4.09Å; I9-Y58 HydrophobicContact CD1-CE2 3.71Å; I9-Y58 HydrophobicContact CG1-CE2 4.41Å; I9-Y58 HydrophobicContact CG2-CE2 4.19Å; V10-Y58 WeakPolarHBondContact O-CD2 3.25Å; V10-Y58 PolarHBondContact O-N 3.2Å; R11-Y58 WeakPolarHBondContact CA-O 3.43Å; A12-Y58 PolarHBondContact N-O 3.24Å; Y58-Q66 HydrophobicContact CE1-CG 4.33Å; Y58-I67 HydrophobicContact CD1-CD1 4.37Å; Y58-I67 HydrophobicContact CD1-CG1 3.58Å; Y58-I67 HydrophobicContact CD2-CD1 4.21Å; Y58-I67 HydrophobicContact CD2-CG1 3.75Å; Y58-I67 HydrophobicContact CE1-CG1 3.87Å; Y58-I67 HydrophobicContact CE2-CG1 4.04Å; Y58-I67 HydrophobicContact CE2-CG2 4.41Å; Y58-I67 HydrophobicContact CG-CD1 3.92Å; Y58-I67 HydrophobicContact CG-CG1 3.51Å; Y58-D70 WeakPolarHBondContact CE1-OD2 3.35Å; Y58-D70 WeakPolarHBondContact OH-CB 3.44Å; Y58-D70 PolarHBondContact OH-OD2 2.98Å |
| 59 | D | 97 | Very high | 97.6 | Very high | 43 Ų | 43 | 46.5 Ų | 46.5 | 23% | 0.23 | 24% | 0.24 | C | C | . | . | trans | -88.2 | -173.8 | -178.7 | 76.3 | -19.5 | 0 | 0 | 0 | 111.8 | A12 V30 N61 S62 | A12-D59 CarbonylContact O-C 3.58Å; A12-D59 VanDerWaalsContact O-C 3.3Å; V30-D59 HydrophobicContact CB-CB 3.94Å; V30-D59 HydrophobicContact CG1-CB 4.15Å; D59-N61 PolarHBondContact O-N 3.26Å; D59-N61 PolarHBondContact OD1-N 3.06Å; D59-N61 VanDerWaalsContact OD1-N 3.15Å; D59-N61 PolarHBondContact OD2-ND2 3.39Å; D59-N61 VanDerWaalsContact OD2-ND2 3.08Å; D59-S62 PolarHBondContact N-OG 3.25Å; D59-S62 VanDerWaalsContact N-OG 3.1Å; D59-S62 WeakPolarHBondContact O-CB 3.33Å; D59-S62 PolarHBondContact O-N 3.47Å; D59-S62 PolarHBondContact O-OG 2.99Å; D59-S62 PolarHBondContact OD1-N 3.49Å; D59-S62 VanDerWaalsContact OD1-N 3.09Å; D59-S62 PolarHBondContact OD1-OG 3.22Å | ||
| 60 | E | 95.5 | Very high | 97.6 | Very high | 93 Ų | 93 | 47.9 Ų | 47.9 | 44% | 0.435 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -18.6 | -179.9 | 61.2 | -172.3 | -153.3 | 0 | 0 | 114.9 | A12 P14 | A12-E60 PolarHBondContact O-N 3.02Å; P14-E60 HydrophobicContact CB-CB 3.93Å; P14-E60 HydrophobicContact CG-CB 4.44Å |
| 61 | N | 96 | Very high | 97.5 | Very high | 121 Ų | 121 | 46.4 Ų | 46.4 | 65% | 0.647 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -12.5 | 179.1 | -58.6 | -62 | 0 | 0 | 0 | 112.7 | D59 | D59-N61 PolarHBondContact O-N 3.26Å; D59-N61 PolarHBondContact OD1-N 3.06Å; D59-N61 VanDerWaalsContact OD1-N 3.15Å; D59-N61 PolarHBondContact OD2-ND2 3.39Å; D59-N61 VanDerWaalsContact OD2-ND2 3.08Å |
| 62 | S | 97.3 | Very high | 97.6 | Very high | 5 Ų | 5 | 43.1 Ų | 43.1 | 4% | 0.035 | 22% | 0.219 | C | C | . | . | trans | -70.9 | 131.6 | -176.1 | -60.8 | 0 | 0 | 0 | 0 | 111.6 | D59 | D59-S62 PolarHBondContact N-OG 3.25Å; D59-S62 VanDerWaalsContact N-OG 3.1Å; D59-S62 WeakPolarHBondContact O-CB 3.33Å; D59-S62 PolarHBondContact O-N 3.47Å; D59-S62 PolarHBondContact O-OG 2.99Å; D59-S62 PolarHBondContact OD1-N 3.49Å; D59-S62 VanDerWaalsContact OD1-N 3.09Å; D59-S62 PolarHBondContact OD1-OG 3.22Å | ||
| 63 | T | 97.7 | Very high | 97.6 | Very high | 32 Ų | 32 | 46.3 Ų | 46.3 | 20% | 0.196 | 23% | 0.231 | C | C | . | . | trans | -84.9 | 154.8 | -179.8 | 67 | 0 | 0 | 0 | 0 | 111.6 | E65 Q66 I67 F109 | T63-E65 PolarHBondContact O-N 3.31Å; T63-Q66 PolarHBondContact O-N 3.31Å; T63-Q66 WeakPolarHBondContact OG1-CB 3.44Å; T63-Q66 PolarHBondContact OG1-N 3.4Å; T63-Q66 VanDerWaalsContact OG1-N 3.09Å; T63-I67 WeakPolarHBondContact O-CG1 2.95Å; T63-I67 PolarHBondContact O-N 3.09Å; T63-F109 HydrophobicContact CG2-CB 4.49Å; T63-F109 HydrophobicContact CG2-CD2 3.54Å; T63-F109 HydrophobicContact CG2-CE2 4.13Å; T63-F109 HydrophobicContact CG2-CG 4.32Å | ||
| 64 | T | 98 | Very high | 97.5 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.1 | -30.5 | 173.6 | -52.5 | 0 | 0 | 0 | 0 | 111.4 | R11 I67 Y68 F109 Q110 K111 V113 | R11-T64 PolarHBondContact NH1-OG1 3.43Å; R11-T64 PolarHBondContact NH2-OG1 3.14Å; T64-I67 PolarHBondContact O-N 3.23Å; T64-Y68 VanDerWaalsContact O-CB 3.28Å; T64-Y68 WeakPolarHBondContact O-CB 3.38Å; T64-Y68 PolarHBondContact O-N 3.27Å; T64-F109 PolarHBondContact N-O 3.01Å; T64-Q110 VanDerWaalsContact N-OE1 3.08Å; T64-Q110 PolarHBondContact OG1-OE1 2.96Å; T64-K111 VanDerWaalsContact CG2-O 3.31Å; T64-K111 WeakPolarHBondContact CG2-O 3.34Å; T64-V113 HydrophobicContact CG2-CG2 4.39Å |
| 65 | E | 98.1 | Very high | 97.5 | Very high | 79 Ų | 79 | 43.2 Ų | 43.2 | 37% | 0.369 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -57.3 | -50.5 | 170.2 | -177.7 | 154.1 | -106.2 | 0 | 0 | 113.7 | T63 I67 Y68 N69 F109 R116 | T63-E65 PolarHBondContact O-N 3.31Å; E65-I67 VanDerWaalsContact C-N 3.35Å; E65-I67 PolarHBondContact O-N 2.91Å; E65-Y68 WeakPolarHBondContact O-CB 3.48Å; E65-Y68 PolarHBondContact O-N 3.22Å; E65-N69 VanDerWaalsContact O-CG 3.31Å; E65-N69 PolarHBondContact O-N 3.08Å; E65-N69 PolarHBondContact O-ND2 2.99Å; E65-F109 HydrophobicContact CB-CB 4.39Å; E65-F109 PolarHBondContact N-O 3Å; E65-F109 VanDerWaalsContact N-O 3.13Å; E65-R116 IonicContact OE1-CZ 3.82Å; E65-R116 IonicContact OE1-NH1 2.95Å; E65-R116 PolarHBondContact OE1-NH1 3.06Å; E65-R116 IonicContact OE1-NH2 3.76Å |
| 66 | Q | 98 | Very high | 97.5 | Very high | 74 Ų | 74 | 38.7 Ų | 38.7 | 35% | 0.346 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -59.2 | -48.8 | 178.3 | -179.3 | -176.9 | -1.5 | 0 | 0 | 110.7 | Y58 T63 Y68 N69 D70 | Y58-Q66 HydrophobicContact CE1-CG 4.33Å; T63-Q66 PolarHBondContact O-N 3.31Å; T63-Q66 WeakPolarHBondContact OG1-CB 3.44Å; T63-Q66 PolarHBondContact OG1-N 3.4Å; T63-Q66 VanDerWaalsContact OG1-N 3.09Å; Q66-Y68 VanDerWaalsContact C-N 3.26Å; Q66-Y68 PolarHBondContact O-N 3.01Å; Q66-N69 PolarHBondContact O-N 3.37Å; Q66-D70 WeakPolarHBondContact O-CB 3.41Å; Q66-D70 PolarHBondContact O-N 2.87Å |
| 67 | I | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.8 | -40.9 | 177.9 | -66.2 | 170.7 | 0 | 0 | 0 | 111.3 | I9 R11 Y58 T63 T64 E65 A71 | I9-I67 HydrophobicContact CD1-CG2 3.49Å; I9-I67 VanDerWaalsContact CD1-CG2 3.49Å; R11-I67 HydrophobicContact CB-CD1 4.38Å; R11-I67 HydrophobicContact CG-CD1 3.76Å; Y58-I67 HydrophobicContact CD1-CD1 4.37Å; Y58-I67 HydrophobicContact CD1-CG1 3.58Å; Y58-I67 HydrophobicContact CD2-CD1 4.21Å; Y58-I67 HydrophobicContact CD2-CG1 3.75Å; Y58-I67 HydrophobicContact CE1-CG1 3.87Å; Y58-I67 HydrophobicContact CE2-CG1 4.04Å; Y58-I67 HydrophobicContact CE2-CG2 4.41Å; Y58-I67 HydrophobicContact CG-CD1 3.92Å; Y58-I67 HydrophobicContact CG-CG1 3.51Å; T63-I67 WeakPolarHBondContact O-CG1 2.95Å; T63-I67 PolarHBondContact O-N 3.09Å; T64-I67 PolarHBondContact O-N 3.23Å; E65-I67 VanDerWaalsContact C-N 3.35Å; E65-I67 PolarHBondContact O-N 2.91Å; I67-A71 WeakPolarHBondContact O-CB 3.46Å; I67-A71 PolarHBondContact O-N 2.85Å |
| 68 | Y | 98.6 | Very high | 97.3 | Very high | 7 Ų | 7 | 42.3 Ų | 42.3 | 3% | 0.027 | 22% | 0.215 | C | C | . | . | I | π-helix | trans | -63 | -51.6 | 178.6 | -173.7 | -87.6 | 0 | 0 | 0 | 111 | T64 E65 Q66 D70 C72 Y73 V113 R116 A117 Q120 | T64-Y68 VanDerWaalsContact O-CB 3.28Å; T64-Y68 WeakPolarHBondContact O-CB 3.38Å; T64-Y68 PolarHBondContact O-N 3.27Å; E65-Y68 WeakPolarHBondContact O-CB 3.48Å; E65-Y68 PolarHBondContact O-N 3.22Å; Q66-Y68 VanDerWaalsContact C-N 3.26Å; Q66-Y68 PolarHBondContact O-N 3.01Å; Y68-D70 PolarHBondContact O-N 3.24Å; Y68-C72 HydrophobicContact CD2-CB 3.59Å; Y68-C72 HydrophobicContact CE2-CB 3.81Å; Y68-C72 HydrophobicContact CG-CB 4.05Å; Y68-C72 CarbonylContact O-C 3.59Å; Y68-C72 WeakPolarHBondContact O-CA 3.47Å; Y68-C72 WeakPolarHBondContact O-CB 3.48Å; Y68-C72 PolarHBondContact O-N 3.46Å; Y68-Y73 HydrophobicContact CE1-CD2 4.11Å; Y68-Y73 PolarHBondContact O-N 3.1Å; Y68-V113 HydrophobicContact CD2-CB 4.46Å; Y68-V113 HydrophobicContact CD2-CG1 4.19Å; Y68-V113 HydrophobicContact CD2-CG2 4.47Å; Y68-V113 HydrophobicContact CE2-CG1 4.28Å; Y68-R116 HydrophobicContact CD1-CB 4.22Å; Y68-R116 HydrophobicContact CD2-CB 3.56Å; Y68-R116 HydrophobicContact CD2-CG 4.4Å; Y68-R116 HydrophobicContact CE1-CB 4.18Å; Y68-R116 HydrophobicContact CE2-CB 3.49Å; Y68-R116 VanDerWaalsContact CE2-CB 3.49Å; Y68-R116 HydrophobicContact CG-CB 3.94Å; Y68-R116 HydrophobicContact CG-CG 4.45Å; Y68-R116 PolarHBondContact OH-O 3.26Å; Y68-A117 HydrophobicContact CE2-CB 4.37Å; Y68-A117 WeakPolarHBondContact OH-CA 3.18Å; Y68-A117 PolarHBondContact OH-N 2.98Å; Y68-Q120 VanDerWaalsContact CZ-OE1 3.32Å; Y68-Q120 PolarHBondContact OH-OE1 2.82Å |
| 69 | N | 98.1 | Very high | 97.2 | Very high | 87 Ų | 87 | 41.8 Ų | 41.8 | 47% | 0.465 | 21% | 0.213 | S | C | . | . | I | π-helix | trans | -63.2 | -42.9 | -178 | -67.7 | -18.2 | 0 | 0 | 0 | 112.1 | E65 Q66 | E65-N69 VanDerWaalsContact O-CG 3.31Å; E65-N69 PolarHBondContact O-N 3.08Å; E65-N69 PolarHBondContact O-ND2 2.99Å; Q66-N69 PolarHBondContact O-N 3.37Å |
| 70 | D | 97 | Very high | 97 | Very high | 94 Ų | 94 | 40.2 Ų | 40.2 | 50% | 0.503 | 21% | 0.205 | S | C | . | . | I | π-helix | trans | -72.6 | -39.5 | -176.4 | -67.8 | -9.3 | 0 | 0 | 0 | 112.9 | Y58 Q66 Y68 | Y58-D70 WeakPolarHBondContact CE1-OD2 3.35Å; Y58-D70 WeakPolarHBondContact OH-CB 3.44Å; Y58-D70 PolarHBondContact OH-OD2 2.98Å; Q66-D70 WeakPolarHBondContact O-CB 3.41Å; Q66-D70 PolarHBondContact O-N 2.87Å; Y68-D70 PolarHBondContact O-N 3.24Å |
| 71 | A | 96.2 | Very high | 96.9 | Very high | 9 Ų | 9 | 39.7 Ų | 39.7 | 7% | 0.074 | 20% | 0.202 | C | C | . | . | I | π-helix | trans | -120.5 | -34.7 | -167.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | I9 I67 L315 | I9-A71 HydrophobicContact CD1-CB 4.02Å; I9-A71 HydrophobicContact CG2-CB 3.95Å; I67-A71 WeakPolarHBondContact O-CB 3.46Å; I67-A71 PolarHBondContact O-N 2.85Å; A71-L315 HydrophobicContact CB-CD1 4.31Å; A71-L315 HydrophobicContact CB-CD2 4.03Å |
| 72 | C | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | I | π-helix | trans | -91.5 | -37.5 | -173.4 | -54.5 | 0 | 0 | 0 | 0 | 112.3 | Y68 S74 L75 V76 I87 V113 L315 | Y68-C72 HydrophobicContact CD2-CB 3.59Å; Y68-C72 HydrophobicContact CE2-CB 3.81Å; Y68-C72 HydrophobicContact CG-CB 4.05Å; Y68-C72 CarbonylContact O-C 3.59Å; Y68-C72 WeakPolarHBondContact O-CA 3.47Å; Y68-C72 WeakPolarHBondContact O-CB 3.48Å; Y68-C72 PolarHBondContact O-N 3.46Å; C72-S74 PolarHBondContact O-N 3.09Å; C72-L75 WeakPolarHBondContact O-CB 3.31Å; C72-L75 PolarHBondContact O-N 3.47Å; C72-V76 WeakPolarHBondContact O-CG2 3.36Å; C72-V76 PolarHBondContact O-N 3.21Å; C72-I87 HydrophobicContact CB-CD1 3.94Å; C72-V113 HydrophobicContact CB-CG1 4.48Å; C72-L315 HydrophobicContact CB-CD2 4.47Å |
| 73 | Y | 98.2 | Very high | 96.4 | Very high | 92 Ų | 92 | 36 Ų | 36 | 36% | 0.361 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -54.2 | -51.5 | -170.5 | -174.2 | -80.8 | 0 | 0 | 0 | 112.6 | Y68 L75 V76 E77 Q120 | Y68-Y73 HydrophobicContact CE1-CD2 4.11Å; Y68-Y73 PolarHBondContact O-N 3.1Å; Y73-L75 VanDerWaalsContact C-N 3.27Å; Y73-L75 PolarHBondContact O-N 3.36Å; Y73-V76 PolarHBondContact O-N 3.01Å; Y73-E77 WeakPolarHBondContact O-CB 3.4Å; Y73-E77 PolarHBondContact O-N 2.91Å; Y73-Q120 HydrophobicContact CD2-CG 4.48Å; Y73-Q120 HydrophobicContact CE2-CG 4.14Å; Y73-Q120 PolarHBondContact O-NE2 3.38Å |
| 74 | S | 96.7 | Very high | 96.1 | Very high | 48 Ų | 48 | 35.4 Ų | 35.4 | 34% | 0.336 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -64.4 | -28.9 | 179.2 | 62.5 | 0 | 0 | 0 | 0 | 113.8 | C72 G78 | C72-S74 PolarHBondContact O-N 3.09Å; S74-G78 PolarHBondContact O-N 3.44Å |
| 75 | L | 96.9 | Very high | 95.9 | Very high | 10 Ų | 10 | 35.4 Ų | 35.4 | 5% | 0.052 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -72 | -47.4 | 175.5 | -176.5 | 157.2 | 0 | 0 | 0 | 109.8 | C72 Y73 E77 G78 V79 I87 L238 K313 L315 | C72-L75 WeakPolarHBondContact O-CB 3.31Å; C72-L75 PolarHBondContact O-N 3.47Å; Y73-L75 VanDerWaalsContact C-N 3.27Å; Y73-L75 PolarHBondContact O-N 3.36Å; L75-E77 VanDerWaalsContact C-N 3.34Å; L75-G78 PolarHBondContact O-N 2.88Å; L75-V79 HydrophobicContact CD2-CG2 4.33Å; L75-V79 WeakPolarHBondContact O-CG2 3.48Å; L75-V79 PolarHBondContact O-N 3.36Å; L75-V79 VanDerWaalsContact O-N 3.14Å; L75-I87 HydrophobicContact CD1-CG1 4.02Å; L75-I87 HydrophobicContact CD2-CD1 4.14Å; L75-I87 HydrophobicContact CD2-CG1 3.88Å; L75-L238 HydrophobicContact CD2-CD1 3.77Å; L75-K313 HydrophobicContact CD1-CB 4.35Å; L75-K313 HydrophobicContact CG-CB 4.16Å; L75-L315 HydrophobicContact CD1-CB 3.72Å |
| 76 | V | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.1 | -38.8 | 178.8 | 177.8 | 0 | 0 | 0 | 0 | 111.2 | C72 Y73 G78 V79 T80 I87 A117 Q120 I121 L238 | C72-V76 WeakPolarHBondContact O-CG2 3.36Å; C72-V76 PolarHBondContact O-N 3.21Å; Y73-V76 PolarHBondContact O-N 3.01Å; V76-G78 VanDerWaalsContact C-N 3.31Å; V76-G78 PolarHBondContact O-N 3.45Å; V76-V79 WeakPolarHBondContact O-CA 3.42Å; V76-V79 WeakPolarHBondContact O-CB 3.32Å; V76-V79 PolarHBondContact O-N 3.5Å; V76-T80 PolarHBondContact O-N 3.41Å; V76-T80 VanDerWaalsContact O-N 3.1Å; V76-I87 HydrophobicContact CG2-CD1 4.35Å; V76-A117 HydrophobicContact CG1-CB 4.45Å; V76-A117 HydrophobicContact CG2-CB 4.13Å; V76-Q120 HydrophobicContact CG1-CB 4.32Å; V76-Q120 HydrophobicContact CG1-CG 4.16Å; V76-I121 HydrophobicContact CG1-CD1 4.3Å; V76-I121 HydrophobicContact CG1-CG1 3.89Å; V76-L238 HydrophobicContact CG1-CD2 4.43Å; V76-L238 HydrophobicContact CG2-CD2 3.98Å |
| 77 | E | 96.5 | Very high | 95.5 | Very high | 83 Ų | 83 | 28.1 Ų | 28.1 | 39% | 0.388 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -56.3 | -46.8 | 171.7 | -177.2 | 175 | -128.6 | 0 | 0 | 110.6 | Y73 L75 V79 T80 E81 | Y73-E77 WeakPolarHBondContact O-CB 3.4Å; Y73-E77 PolarHBondContact O-N 2.91Å; L75-E77 VanDerWaalsContact C-N 3.34Å; E77-V79 VanDerWaalsContact C-N 3.25Å; E77-V79 PolarHBondContact O-N 3.01Å; E77-T80 CarbonylContact O-C 3.53Å; E77-T80 WeakPolarHBondContact O-CA 3.5Å; E77-T80 PolarHBondContact O-N 3.2Å; E77-T80 PolarHBondContact O-OG1 3Å; E77-E81 PolarHBondContact O-N 2.89Å |
| 78 | G | 95.4 | Very high | 95.2 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.01 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -56.9 | -36.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | S74 L75 V76 T80 E81 G82 Y83 | S74-G78 PolarHBondContact O-N 3.44Å; L75-G78 PolarHBondContact O-N 2.88Å; V76-G78 VanDerWaalsContact C-N 3.31Å; V76-G78 PolarHBondContact O-N 3.45Å; G78-T80 VanDerWaalsContact C-N 3.31Å; G78-T80 PolarHBondContact O-N 3.45Å; G78-E81 WeakPolarHBondContact O-CB 3.32Å; G78-E81 PolarHBondContact O-N 3.45Å; G78-G82 PolarHBondContact O-N 3.24Å; G78-Y83 WeakPolarHBondContact O-CB 3.26Å; G78-Y83 VanDerWaalsContact O-CD2 3.25Å; G78-Y83 WeakPolarHBondContact O-CD2 3Å; G78-Y83 PolarHBondContact O-N 3.27Å |
| 79 | V | 95.5 | Very high | 95 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.7 | -38.7 | 176.1 | -176.3 | 0 | 0 | 0 | 0 | 111 | L75 V76 E77 E81 G82 Y83 L218 L238 | L75-V79 HydrophobicContact CD2-CG2 4.33Å; L75-V79 WeakPolarHBondContact O-CG2 3.48Å; L75-V79 PolarHBondContact O-N 3.36Å; L75-V79 VanDerWaalsContact O-N 3.14Å; V76-V79 WeakPolarHBondContact O-CA 3.42Å; V76-V79 WeakPolarHBondContact O-CB 3.32Å; V76-V79 PolarHBondContact O-N 3.5Å; E77-V79 VanDerWaalsContact C-N 3.25Å; E77-V79 PolarHBondContact O-N 3.01Å; V79-E81 PolarHBondContact O-N 3.15Å; V79-G82 PolarHBondContact O-N 3.49Å; V79-Y83 WeakPolarHBondContact CA-O 3.49Å; V79-L218 HydrophobicContact CG1-CD1 3.87Å; V79-L218 HydrophobicContact CG1-CG 4.42Å; V79-L238 HydrophobicContact CB-CB 4.46Å; V79-L238 HydrophobicContact CG1-CB 3.9Å; V79-L238 HydrophobicContact CG2-CB 4.04Å; V79-L238 HydrophobicContact CG2-CD1 4.24Å |
| 80 | T | 93.7 | Very high | 94.8 | Very high | 10 Ų | 10 | 24.7 Ų | 24.7 | 6% | 0.061 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -69.8 | -7.6 | 173.8 | 65.7 | 0 | 0 | 0 | 0 | 114.1 | V76 E77 G78 I121 T124 L218 | V76-T80 PolarHBondContact O-N 3.41Å; V76-T80 VanDerWaalsContact O-N 3.1Å; E77-T80 CarbonylContact O-C 3.53Å; E77-T80 WeakPolarHBondContact O-CA 3.5Å; E77-T80 PolarHBondContact O-N 3.2Å; E77-T80 PolarHBondContact O-OG1 3Å; G78-T80 VanDerWaalsContact C-N 3.31Å; G78-T80 PolarHBondContact O-N 3.45Å; T80-I121 HydrophobicContact CG2-CG1 3.99Å; T80-T124 HydrophobicContact CG2-CG2 4.2Å; T80-L218 HydrophobicContact CG2-CD1 4.12Å |
| 81 | E | 92.1 | Very high | 94.6 | Very high | 81 Ų | 81 | 20.2 Ų | 20.2 | 38% | 0.379 | 10% | 0.098 | S | C | . | . | H | α-helix | trans | -97.5 | -9.8 | 171.1 | -63.4 | 173.4 | 161.4 | 0 | 0 | 112.9 | E77 G78 V79 Y83 R234 | E77-E81 PolarHBondContact O-N 2.89Å; G78-E81 WeakPolarHBondContact O-CB 3.32Å; G78-E81 PolarHBondContact O-N 3.45Å; V79-E81 PolarHBondContact O-N 3.15Å; E81-Y83 HydrophobicContact CB-CD2 4.25Å; E81-Y83 HydrophobicContact CB-CE2 4.4Å; E81-R234 PolarHBondContact O-NH1 2.97Å |
| 82 | G | 91.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 106 | 15 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | G78 V79 M220 A235 I349 N350 | G78-G82 PolarHBondContact O-N 3.24Å; V79-G82 PolarHBondContact O-N 3.49Å; G82-M220 VanDerWaalsContact CA-CE 3.4Å; G82-A235 CarbonylContact C-O 3.57Å; G82-A235 WeakPolarHBondContact CA-O 3.38Å; G82-I349 CarbonylContact O-C 3.52Å; G82-I349 WeakPolarHBondContact O-CA 3.45Å; G82-N350 PolarHBondContact O-N 3.05Å; G82-N350 PolarHBondContact O-ND2 2.84Å; G82-N350 VanDerWaalsContact O-ND2 3.17Å |
| 83 | Y | 92.9 | Very high | 93.9 | Very high | 49 Ų | 49 | 22.5 Ų | 22.5 | 19% | 0.192 | 11% | 0.11 | C | C | . | . | B | Isolated β-bridge | trans | -81.6 | 155.1 | 169.7 | -68.1 | -82.3 | 0 | 0 | 0 | 111.7 | G78 V79 E81 G236 K237 K313 P347 K348 I349 | G78-Y83 WeakPolarHBondContact O-CB 3.26Å; G78-Y83 VanDerWaalsContact O-CD2 3.25Å; G78-Y83 WeakPolarHBondContact O-CD2 3Å; G78-Y83 PolarHBondContact O-N 3.27Å; V79-Y83 WeakPolarHBondContact CA-O 3.49Å; E81-Y83 HydrophobicContact CB-CD2 4.25Å; E81-Y83 HydrophobicContact CB-CE2 4.4Å; Y83-G236 WeakPolarHBondContact O-CA 3.18Å; Y83-K237 PolarHBondContact O-N 2.98Å; Y83-K313 HydrophobicContact CG-CD 4.47Å; Y83-P347 HydrophobicContact CD1-CB 3.94Å; Y83-P347 HydrophobicContact CE1-CB 4.29Å; Y83-K348 WeakPolarHBondContact CD1-O 3.38Å; Y83-I349 HydrophobicContact CD1-CG1 4.3Å; Y83-I349 HydrophobicContact CD2-CG1 4.2Å; Y83-I349 HydrophobicContact CE1-CG1 3.79Å; Y83-I349 HydrophobicContact CE2-CD1 4.16Å; Y83-I349 HydrophobicContact CE2-CG1 3.66Å; Y83-I349 HydrophobicContact CG-CG1 4.49Å; Y83-I349 VanDerWaalsContact CZ-CG1 3.42Å |
| 84 | N | 90.9 | Very high | 93.5 | Very high | 19 Ų | 19 | 20.5 Ų | 20.5 | 10% | 0.102 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 141.2 | 158.5 | -54.9 | -42.2 | 0 | 0 | 0 | 109.7 | K237 N311 T312 K313 N350 | N84-K237 CarbonylContact C-O 3.55Å; N84-K237 VanDerWaalsContact CA-O 3.3Å; N84-K237 WeakPolarHBondContact CA-O 3.06Å; N84-K237 WeakPolarHBondContact OD1-CB 3.28Å; N84-N311 VanDerWaalsContact CB-O 3.29Å; N84-N311 WeakPolarHBondContact CB-O 3.49Å; N84-N311 PolarHBondContact ND2-ND2 2.71Å; N84-N311 PolarHBondContact ND2-O 3.46Å; N84-T312 HydrophobicContact CB-CG2 4.07Å; N84-T312 WeakPolarHBondContact CB-OG1 3.35Å; N84-K313 PolarHBondContact O-N 3.44Å; N84-N350 VanDerWaalsContact CG-ND2 3.34Å; N84-N350 PolarHBondContact ND2-OD1 3.17Å; N84-N350 PolarHBondContact OD1-ND2 3.17Å |
| 85 | G | 92.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 140.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | K237 L238 N239 K313 | G85-K237 PolarHBondContact N-O 3.05Å; G85-L238 CarbonylContact O-C 3.6Å; G85-L238 VanDerWaalsContact O-CA 3.28Å; G85-L238 WeakPolarHBondContact O-CA 3.29Å; G85-N239 PolarHBondContact O-N 2.92Å; G85-K313 CarbonylContact C-O 3.59Å; G85-K313 VanDerWaalsContact CA-O 3.29Å; G85-K313 WeakPolarHBondContact CA-O 3.32Å |
| 86 | T | 93.4 | Very high | 93.3 | Very high | 1 Ų | 1 | 18.7 Ų | 18.7 | 1% | 0.006 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 128.9 | 167 | -63.5 | 0 | 0 | 0 | 0 | 109.8 | F88 N239 V241 S307 K313 T314 L315 | T86-F88 HydrophobicContact CG2-CD1 4.06Å; T86-N239 CarbonylContact C-O 3.34Å; T86-N239 WeakPolarHBondContact CA-O 3.39Å; T86-N239 HydrophobicContact CG2-CB 4.13Å; T86-N239 PolarHBondContact OG1-ND2 3.45Å; T86-V241 HydrophobicContact CG2-CG2 4.38Å; T86-S307 WeakPolarHBondContact CG2-OG 3.39Å; T86-S307 WeakPolarHBondContact OG1-CB 3.29Å; T86-S307 PolarHBondContact OG1-OG 2.91Å; T86-K313 PolarHBondContact N-O 2.85Å; T86-T314 CarbonylContact O-C 3.5Å; T86-T314 WeakPolarHBondContact O-CA 3.45Å; T86-L315 PolarHBondContact O-N 3.46Å |
| 87 | I | 95.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 122.5 | 167.1 | -53.2 | 175.5 | 0 | 0 | 0 | 107.5 | C72 L75 V76 M101 V113 L238 N239 L240 V241 L315 I317 | C72-I87 HydrophobicContact CB-CD1 3.94Å; L75-I87 HydrophobicContact CD1-CG1 4.02Å; L75-I87 HydrophobicContact CD2-CD1 4.14Å; L75-I87 HydrophobicContact CD2-CG1 3.88Å; V76-I87 HydrophobicContact CG2-CD1 4.35Å; I87-M101 HydrophobicContact CG2-CE 4.38Å; I87-M101 HydrophobicContact CG2-SD 4.35Å; I87-V113 HydrophobicContact CD1-CG1 3.88Å; I87-V113 HydrophobicContact CG2-CG1 4.34Å; I87-L238 HydrophobicContact CG1-CD1 4.41Å; I87-N239 PolarHBondContact N-O 3.46Å; I87-L240 HydrophobicContact CB-CD2 4.16Å; I87-L240 HydrophobicContact CD1-CD2 4.07Å; I87-L240 HydrophobicContact CG1-CD2 4.43Å; I87-L240 WeakPolarHBondContact O-CA 3.23Å; I87-V241 PolarHBondContact O-N 3.19Å; I87-L315 WeakPolarHBondContact CA-O 3.47Å; I87-L315 HydrophobicContact CD1-CD2 4.5Å; I87-L315 HydrophobicContact CG1-CB 4.24Å; I87-L315 HydrophobicContact CG1-CD2 4.33Å; I87-L315 HydrophobicContact CG2-CB 4.44Å; I87-L315 HydrophobicContact CG2-CD2 4.05Å; I87-L315 HydrophobicContact CG2-CG 4.33Å; I87-I317 HydrophobicContact CG2-CD1 3.65Å; I87-I317 HydrophobicContact CG2-CG1 4.1Å |
| 88 | F | 92.6 | Very high | 92.9 | Very high | 9 Ų | 9 | 17.4 Ų | 17.4 | 4% | 0.039 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 135 | 178.1 | 67.1 | -89.9 | 0 | 0 | 0 | 112.6 | T86 V241 L243 L308 T314 L315 M316 I317 | T86-F88 HydrophobicContact CG2-CD1 4.06Å; F88-V241 CarbonylContact C-O 3.56Å; F88-V241 VanDerWaalsContact CA-O 3.31Å; F88-V241 WeakPolarHBondContact CA-O 3.23Å; F88-V241 HydrophobicContact CB-CB 3.7Å; F88-V241 HydrophobicContact CB-CG1 4.34Å; F88-V241 HydrophobicContact CB-CG2 4.36Å; F88-L243 HydrophobicContact CD2-CD1 3.76Å; F88-L243 HydrophobicContact CE2-CD1 4.43Å; F88-L308 HydrophobicContact CE1-CD2 4.27Å; F88-L308 HydrophobicContact CZ-CD2 4.46Å; F88-T314 HydrophobicContact CD1-CG2 4.13Å; F88-T314 HydrophobicContact CE1-CG2 3.59Å; F88-L315 PolarHBondContact N-O 3.39Å; F88-M316 HydrophobicContact CD2-CG 4.22Å; F88-M316 HydrophobicContact CE1-CB 4.05Å; F88-M316 HydrophobicContact CE2-CB 3.82Å; F88-M316 HydrophobicContact CE2-CG 3.48Å; F88-M316 VanDerWaalsContact CE2-CG 3.48Å; F88-M316 HydrophobicContact CE2-SD 4Å; F88-M316 HydrophobicContact CZ-CB 3.53Å; F88-M316 HydrophobicContact CZ-CG 3.72Å; F88-M316 HydrophobicContact CZ-SD 4.18Å; F88-I317 PolarHBondContact O-N 3.12Å |
| 89 | A | 94.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 133.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | K97 M101 V241 L243 I317 | A89-K97 HydrophobicContact CB-CB 3.85Å; A89-K97 HydrophobicContact CB-CG 4.16Å; A89-M101 HydrophobicContact CB-CG 3.66Å; A89-M101 HydrophobicContact CB-SD 4Å; A89-V241 PolarHBondContact N-O 3.16Å; A89-L243 WeakPolarHBondContact O-CB 3.45Å; A89-L243 PolarHBondContact O-N 2.98Å; A89-I317 WeakPolarHBondContact CA-O 3.3Å |
| 90 | Y | 92.6 | Very high | 93 | Very high | 12 Ų | 12 | 21.7 Ų | 21.7 | 5% | 0.047 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 144.4 | -176.7 | 179.4 | -86 | 0 | 0 | 0 | 111.6 | L243 S246 L269 M316 I317 A318 C319 T333 Y336 | Y90-L243 HydrophobicContact CD2-CD1 3.78Å; Y90-L243 HydrophobicContact CG-CD1 4.47Å; Y90-S246 VanDerWaalsContact CZ-CB 3.49Å; Y90-S246 WeakPolarHBondContact OH-CB 3.43Å; Y90-L269 HydrophobicContact CE2-CD2 4.14Å; Y90-M316 HydrophobicContact CD1-CE 3.63Å; Y90-M316 HydrophobicContact CG-CE 3.81Å; Y90-I317 PolarHBondContact N-O 3.14Å; Y90-A318 CarbonylContact O-C 3.57Å; Y90-A318 WeakPolarHBondContact O-CA 3.29Å; Y90-C319 PolarHBondContact O-N 3Å; Y90-T333 HydrophobicContact CD1-CG2 3.98Å; Y90-T333 HydrophobicContact CE1-CG2 4.19Å; Y90-Y336 HydrophobicContact CD1-CD1 4.1Å; Y90-Y336 HydrophobicContact CD1-CE1 4.47Å; Y90-Y336 HydrophobicContact CD2-CE1 4.22Å; Y90-Y336 AromaticContact CE1-CD1 3.9Å; Y90-Y336 HydrophobicContact CE1-CD1 3.9Å; Y90-Y336 HydrophobicContact CE1-CD2 4.35Å; Y90-Y336 HydrophobicContact CE1-CE1 4.4Å; Y90-Y336 AromaticContact CE1-CG 3.86Å; Y90-Y336 HydrophobicContact CE1-CG 3.86Å; Y90-Y336 HydrophobicContact CE2-CD1 4.39Å; Y90-Y336 HydrophobicContact CE2-CD2 4.46Å; Y90-Y336 HydrophobicContact CE2-CE1 4.11Å; Y90-Y336 HydrophobicContact CE2-CE2 4.19Å; Y90-Y336 HydrophobicContact CG-CD1 4.47Å; Y90-Y336 HydrophobicContact CG-CE1 4.4Å; Y90-Y336 AromaticContact CZ-CD2 3.9Å; Y90-Y336 AromaticContact CZ-CG 3.88Å |
| 91 | G | 92.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 12% | 0.12 | C | C | . | . | S | Bend | trans | 145.6 | 177.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | K97 S246 | G91-K97 WeakPolarHBondContact O-CE 3.25Å; G91-K97 PolarHBondContact O-NZ 3.45Å; G91-S246 WeakPolarHBondContact CA-OG 3.43Å; G91-S246 PolarHBondContact O-N 2.96Å; G91-S246 VanDerWaalsContact O-N 3.16Å |
| 92 | Q | 91.1 | Very high | 93.1 | Very high | 14 Ų | 14 | 20.5 Ų | 20.5 | 7% | 0.065 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -63 | 164.9 | -178.7 | 66.4 | 171.8 | 88.7 | 0 | 0 | 113.7 | G94 C95 K97 S246 E247 N326 E329 | Q92-G94 PolarHBondContact O-N 3.09Å; Q92-C95 HydrophobicContact CG-CB 3.8Å; Q92-C95 PolarHBondContact O-N 3.02Å; Q92-C95 PolarHBondContact O-SG 2.7Å; Q92-K97 VanDerWaalsContact C-NZ 3.35Å; Q92-K97 PolarHBondContact O-NZ 2.98Å; Q92-S246 PolarHBondContact N-OG 3.41Å; Q92-E247 WeakPolarHBondContact CA-OE2 3.44Å; Q92-E247 HydrophobicContact CB-CB 4.08Å; Q92-N326 VanDerWaalsContact NE2-CG 3.26Å; Q92-N326 PolarHBondContact NE2-ND2 2.85Å; Q92-N326 PolarHBondContact NE2-OD1 2.9Å; Q92-E329 HydrophobicContact CB-CB 4.22Å; Q92-E329 VanDerWaalsContact OE1-CB 3.23Å |
| 93 | T | 90.1 | Very high | 93.2 | Very high | 44 Ų | 44 | 21.1 Ų | 21.1 | 27% | 0.27 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | 137.2 | 169.3 | -59.9 | 0 | 0 | 0 | 0 | 111 | C95 S208 E247 | T93-C95 VanDerWaalsContact C-N 3.28Å; T93-C95 PolarHBondContact O-N 3.04Å; T93-S208 VanDerWaalsContact CG2-CB 3.46Å; T93-S208 VanDerWaalsContact OG1-CB 3.25Å; T93-S208 WeakPolarHBondContact OG1-CB 3.42Å; T93-E247 WeakPolarHBondContact CB-OE1 3.21Å; T93-E247 PolarHBondContact N-OE2 3.19Å; T93-E247 VanDerWaalsContact OG1-CD 3.3Å; T93-E247 PolarHBondContact OG1-OE1 3.44Å; T93-E247 PolarHBondContact OG1-OE2 3.24Å |
| 94 | G | 90.2 | Very high | 93.1 | Very high | 50 Ų | 50 | 21.5 Ų | 21.5 | 52% | 0.515 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | 9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | R13 Q92 G96 | R13-G94 PolarHBondContact NE-O 3.21Å; R13-G94 PolarHBondContact NH2-O 2.91Å; Q92-G94 PolarHBondContact O-N 3.09Å; G94-G96 VanDerWaalsContact C-N 3.33Å |
| 95 | C | 93.1 | Very high | 93 | Very high | 2 Ų | 2 | 26.2 Ų | 26.2 | 1% | 0.014 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -83.4 | -1.9 | 175 | 70.2 | 0 | 0 | 0 | 0 | 114.9 | Q92 T93 C319 | Q92-C95 HydrophobicContact CG-CB 3.8Å; Q92-C95 PolarHBondContact O-N 3.02Å; Q92-C95 PolarHBondContact O-SG 2.7Å; T93-C95 VanDerWaalsContact C-N 3.28Å; T93-C95 PolarHBondContact O-N 3.04Å; C95-C319 HydrophobicContact CB-CB 4.22Å; C95-C319 WeakPolarHBondContact SG-CB 3.39Å; C95-C319 PolarHBondContact SG-O 3.33Å |
| 96 | G | 94.3 | Very high | 92.9 | Very high | 17 Ų | 17 | 33 Ų | 33 | 18% | 0.175 | 19% | 0.192 | C | C | . | . | S | Bend | trans | 103.2 | 18.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | G94 Y99 T100 | G94-G96 VanDerWaalsContact C-N 3.33Å; G96-Y99 PolarHBondContact O-N 3.26Å; G96-T100 WeakPolarHBondContact O-CB 3.39Å; G96-T100 PolarHBondContact O-N 2.92Å; G96-T100 PolarHBondContact O-OG1 3.03Å |
| 97 | K | 94.3 | Very high | 93 | Very high | 10 Ų | 10 | 35.2 Ų | 35.2 | 4% | 0.043 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -57.5 | -60.2 | 175.3 | -60.8 | -173.5 | -62.9 | -70.1 | 0 | 112.7 | A89 G91 Q92 Y99 T100 M101 D242 L243 C319 | A89-K97 HydrophobicContact CB-CB 3.85Å; A89-K97 HydrophobicContact CB-CG 4.16Å; G91-K97 WeakPolarHBondContact O-CE 3.25Å; G91-K97 PolarHBondContact O-NZ 3.45Å; Q92-K97 VanDerWaalsContact C-NZ 3.35Å; Q92-K97 PolarHBondContact O-NZ 2.98Å; K97-Y99 VanDerWaalsContact C-N 3.29Å; K97-Y99 PolarHBondContact O-N 3.4Å; K97-T100 WeakPolarHBondContact O-CA 3.46Å; K97-T100 WeakPolarHBondContact O-CB 3.48Å; K97-T100 PolarHBondContact O-N 3.03Å; K97-M101 PolarHBondContact O-N 3.49Å; K97-D242 VanDerWaalsContact CB-OD1 3.24Å; K97-D242 WeakPolarHBondContact CB-OD1 3.19Å; K97-L243 WeakPolarHBondContact CE-O 3.39Å; K97-C319 HydrophobicContact CG-CB 4.04Å |
| 98 | S | 92.8 | Very high | 93 | Very high | 46 Ų | 46 | 39 Ų | 39 | 32% | 0.322 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.3 | -36.3 | 178.4 | -41.8 | 0 | 0 | 0 | 0 | 111.6 | T100 M101 Q102 G103 D242 | S98-T100 PolarHBondContact O-N 2.89Å; S98-M101 PolarHBondContact O-N 2.96Å; S98-Q102 WeakPolarHBondContact O-CA 3.37Å; S98-Q102 VanDerWaalsContact O-CB 3.25Å; S98-Q102 WeakPolarHBondContact O-CB 3.36Å; S98-Q102 PolarHBondContact O-N 3.18Å; S98-G103 PolarHBondContact O-N 2.92Å; S98-D242 PolarHBondContact OG-OD2 2.92Å |
| 99 | Y | 94.6 | Very high | 93.2 | Very high | 91 Ų | 91 | 43 Ų | 43 | 36% | 0.357 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -59.7 | -33.9 | 171 | -175.6 | -91.6 | 0 | 0 | 0 | 112.6 | G96 K97 G103 V104 Q110 | G96-Y99 PolarHBondContact O-N 3.26Å; K97-Y99 VanDerWaalsContact C-N 3.29Å; K97-Y99 PolarHBondContact O-N 3.4Å; Y99-G103 WeakPolarHBondContact O-CA 3.42Å; Y99-G103 PolarHBondContact O-N 3.3Å; Y99-V104 HydrophobicContact CD2-CG1 4.22Å; Y99-V104 HydrophobicContact CE2-CG1 3.9Å; Y99-V104 HydrophobicContact CE2-CG2 4.2Å; Y99-Q110 WeakPolarHBondContact OH-CB 3.13Å; Y99-Q110 WeakPolarHBondContact OH-CG 3.21Å; Y99-Q110 PolarHBondContact OH-OE1 2.99Å |
| 100 | T | 97.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -76.6 | -46.6 | 176.9 | -57.7 | 0 | 0 | 0 | 0 | 111.7 | R11 G96 K97 S98 G112 V113 I317 | R11-T100 VanDerWaalsContact CD-OG1 3.29Å; R11-T100 WeakPolarHBondContact CD-OG1 3.41Å; R11-T100 PolarHBondContact NH1-OG1 3.49Å; G96-T100 WeakPolarHBondContact O-CB 3.39Å; G96-T100 PolarHBondContact O-N 2.92Å; G96-T100 PolarHBondContact O-OG1 3.03Å; K97-T100 WeakPolarHBondContact O-CA 3.46Å; K97-T100 WeakPolarHBondContact O-CB 3.48Å; K97-T100 PolarHBondContact O-N 3.03Å; S98-T100 PolarHBondContact O-N 2.89Å; T100-G112 WeakPolarHBondContact O-CA 3.42Å; T100-V113 HydrophobicContact CG2-CG2 4.17Å; T100-V113 WeakPolarHBondContact O-CG2 3.43Å; T100-V113 PolarHBondContact O-N 3.33Å; T100-I317 HydrophobicContact CG2-CD1 3.92Å; T100-I317 HydrophobicContact CG2-CG2 3.97Å |
| 101 | M | 95.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -74.5 | -44.2 | -175.4 | -63.5 | -55.5 | -67.4 | 0 | 0 | 112.6 | I87 A89 K97 S98 G112 V113 I114 L240 D242 | I87-M101 HydrophobicContact CG2-CE 4.38Å; I87-M101 HydrophobicContact CG2-SD 4.35Å; A89-M101 HydrophobicContact CB-CG 3.66Å; A89-M101 HydrophobicContact CB-SD 4Å; K97-M101 PolarHBondContact O-N 3.49Å; S98-M101 PolarHBondContact O-N 2.96Å; M101-G112 CarbonylContact O-C 3.55Å; M101-V113 PolarHBondContact O-N 3.48Å; M101-V113 VanDerWaalsContact O-N 3.14Å; M101-V113 HydrophobicContact SD-CB 4.36Å; M101-I114 HydrophobicContact CB-CD1 4Å; M101-I114 HydrophobicContact CB-CG1 4.43Å; M101-I114 HydrophobicContact CE-CD1 4.44Å; M101-I114 HydrophobicContact CE-CG1 4.16Å; M101-I114 WeakPolarHBondContact O-CB 3.29Å; M101-I114 WeakPolarHBondContact O-CG1 3.34Å; M101-I114 PolarHBondContact O-N 3.09Å; M101-L240 HydrophobicContact CE-CB 3.8Å; M101-L240 HydrophobicContact CE-CD2 4.05Å; M101-D242 HydrophobicContact CG-CB 4.32Å |
| 102 | Q | 92.7 | Very high | 93.7 | Very high | 66 Ų | 66 | 45.3 Ų | 45.3 | 31% | 0.308 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -41.4 | -177.9 | -179.6 | 174.8 | 7.6 | 0 | 0 | 112.3 | S98 G112 W193 | S98-Q102 WeakPolarHBondContact O-CA 3.37Å; S98-Q102 VanDerWaalsContact O-CB 3.25Å; S98-Q102 WeakPolarHBondContact O-CB 3.36Å; S98-Q102 PolarHBondContact O-N 3.18Å; Q102-G112 VanDerWaalsContact C-CA 3.41Å; Q102-G112 VanDerWaalsContact O-CA 3.27Å; Q102-G112 WeakPolarHBondContact O-CA 3.4Å; Q102-G112 PolarHBondContact O-N 2.94Å; Q102-G112 VanDerWaalsContact O-N 3.1Å; Q102-W193 HydrophobicContact CB-CH2 3.65Å; Q102-W193 HydrophobicContact CB-CZ2 3.7Å; Q102-W193 HydrophobicContact CB-CZ3 4.1Å; Q102-W193 HydrophobicContact CG-CD2 4.28Å; Q102-W193 HydrophobicContact CG-CE3 4Å; Q102-W193 HydrophobicContact CG-CH2 3.61Å; Q102-W193 HydrophobicContact CG-CZ2 3.91Å; Q102-W193 HydrophobicContact CG-CZ3 3.5Å |
| 103 | G | 93 | Very high | 94 | Very high | 14 Ų | 14 | 44.6 Ų | 44.6 | 14% | 0.144 | 26% | 0.256 | C | S | . | . | B | Isolated β-bridge | trans | 69.7 | -164.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | S98 Y99 Q110 | S98-G103 PolarHBondContact O-N 2.92Å; Y99-G103 WeakPolarHBondContact O-CA 3.42Å; Y99-G103 PolarHBondContact O-N 3.3Å; G103-Q110 VanDerWaalsContact CA-O 3.23Å; G103-Q110 WeakPolarHBondContact CA-O 3.25Å |
| 104 | V | 92.2 | Very high | 94.3 | Very high | 56 Ų | 56 | 42.7 Ų | 42.7 | 34% | 0.339 | 24% | 0.244 | S | C | . | . | trans | -122.3 | 153 | 174.3 | -66.7 | 0 | 0 | 0 | 0 | 109 | Y99 E106 Q110 K111 | Y99-V104 HydrophobicContact CD2-CG1 4.22Å; Y99-V104 HydrophobicContact CE2-CG1 3.9Å; Y99-V104 HydrophobicContact CE2-CG2 4.2Å; V104-E106 VanDerWaalsContact CG2-O 3.3Å; V104-E106 WeakPolarHBondContact CG2-O 3.09Å; V104-Q110 HydrophobicContact CG2-CB 3.54Å; V104-Q110 PolarHBondContact N-O 3.21Å; V104-Q110 VanDerWaalsContact N-O 3.08Å; V104-Q110 CarbonylContact O-C 3.52Å; V104-K111 WeakPolarHBondContact O-CA 3.4Å; V104-K111 PolarHBondContact O-N 3.33Å | ||
| 105 | V | 87.9 | Confident | 94.5 | Very high | 119 Ų | 119 | 40.5 Ų | 40.5 | 72% | 0.721 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -69.3 | -42.2 | 177.4 | -178.7 | 0 | 0 | 0 | 0 | 110.3 | ||
| 106 | E | 91.8 | Very high | 94.6 | Very high | 141 Ų | 141 | 41.6 Ų | 41.6 | 66% | 0.659 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -122.4 | 128.9 | 178.9 | -71.2 | -62.3 | 155.7 | 0 | 0 | 110.6 | V104 P108 | V104-E106 VanDerWaalsContact CG2-O 3.3Å; V104-E106 WeakPolarHBondContact CG2-O 3.09Å; E106-P108 WeakPolarHBondContact OE2-CD 3.24Å |
| 107 | P | 95.5 | Very high | 94.7 | Very high | 48 Ų | 48 | 40.8 Ų | 40.8 | 31% | 0.312 | 22% | 0.216 | S | C | . | . | S | Bend | cis | -78.3 | 157 | -0.9 | 33.1 | -35.8 | 0 | 0 | 0 | 113.1 | F109 Q110 | P107-F109 VanDerWaalsContact C-N 3.29Å; P107-F109 HydrophobicContact CB-CD1 3.85Å; P107-F109 HydrophobicContact CB-CE1 3.37Å; P107-F109 HydrophobicContact CB-CE2 4.19Å; P107-F109 HydrophobicContact CB-CG 4.44Å; P107-F109 HydrophobicContact CB-CZ 3.56Å; P107-F109 HydrophobicContact CG-CD1 4.21Å; P107-F109 HydrophobicContact CG-CD2 4.1Å; P107-F109 HydrophobicContact CG-CE1 3.64Å; P107-F109 HydrophobicContact CG-CE2 3.5Å; P107-F109 HydrophobicContact CG-CG 4.42Å; P107-F109 HydrophobicContact CG-CZ 3.24Å; P107-F109 PolarHBondContact O-N 3.21Å; P107-Q110 HydrophobicContact CG-CB 4.32Å; P107-Q110 HydrophobicContact CG-CG 3.98Å; P107-Q110 PolarHBondContact O-N 3Å |
| 108 | P | 94.9 | Very high | 94.7 | Very high | 79 Ų | 79 | 40.3 Ų | 40.3 | 51% | 0.513 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -60.9 | -32.8 | -173 | -26.2 | 36.1 | 0 | 0 | 0 | 114.3 | E106 Q110 K111 R116 | E106-P108 WeakPolarHBondContact OE2-CD 3.24Å; P108-Q110 PolarHBondContact O-N 3.43Å; P108-Q110 VanDerWaalsContact O-N 3.07Å; P108-K111 WeakPolarHBondContact O-CB 3.44Å; P108-K111 PolarHBondContact O-N 3.36Å; P108-R116 PolarHBondContact O-NH2 3.38Å |
| 109 | F | 96.6 | Very high | 94.8 | Very high | 93 Ų | 93 | 40.6 Ų | 40.6 | 41% | 0.408 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -66 | -8 | 176.1 | 58.4 | -100.4 | 0 | 0 | 0 | 113.6 | T63 T64 E65 P107 R116 | T63-F109 HydrophobicContact CG2-CB 4.49Å; T63-F109 HydrophobicContact CG2-CD2 3.54Å; T63-F109 HydrophobicContact CG2-CE2 4.13Å; T63-F109 HydrophobicContact CG2-CG 4.32Å; T64-F109 PolarHBondContact N-O 3.01Å; E65-F109 HydrophobicContact CB-CB 4.39Å; E65-F109 PolarHBondContact N-O 3Å; E65-F109 VanDerWaalsContact N-O 3.13Å; P107-F109 VanDerWaalsContact C-N 3.29Å; P107-F109 HydrophobicContact CB-CD1 3.85Å; P107-F109 HydrophobicContact CB-CE1 3.37Å; P107-F109 HydrophobicContact CB-CE2 4.19Å; P107-F109 HydrophobicContact CB-CG 4.44Å; P107-F109 HydrophobicContact CB-CZ 3.56Å; P107-F109 HydrophobicContact CG-CD1 4.21Å; P107-F109 HydrophobicContact CG-CD2 4.1Å; P107-F109 HydrophobicContact CG-CE1 3.64Å; P107-F109 HydrophobicContact CG-CE2 3.5Å; P107-F109 HydrophobicContact CG-CG 4.42Å; P107-F109 HydrophobicContact CG-CZ 3.24Å; P107-F109 PolarHBondContact O-N 3.21Å; F109-R116 PolarHBondContact O-NH2 2.7Å |
| 110 | Q | 96.7 | Very high | 94.9 | Very high | 21 Ų | 21 | 36.6 Ų | 36.6 | 10% | 0.098 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -107 | 9.1 | 172 | -63.1 | -65.1 | 1.3 | 0 | 0 | 114 | T64 Y99 G103 V104 P107 P108 G112 | T64-Q110 VanDerWaalsContact N-OE1 3.08Å; T64-Q110 PolarHBondContact OG1-OE1 2.96Å; Y99-Q110 WeakPolarHBondContact OH-CB 3.13Å; Y99-Q110 WeakPolarHBondContact OH-CG 3.21Å; Y99-Q110 PolarHBondContact OH-OE1 2.99Å; G103-Q110 VanDerWaalsContact CA-O 3.23Å; G103-Q110 WeakPolarHBondContact CA-O 3.25Å; V104-Q110 HydrophobicContact CG2-CB 3.54Å; V104-Q110 PolarHBondContact N-O 3.21Å; V104-Q110 VanDerWaalsContact N-O 3.08Å; V104-Q110 CarbonylContact O-C 3.52Å; P107-Q110 HydrophobicContact CG-CB 4.32Å; P107-Q110 HydrophobicContact CG-CG 3.98Å; P107-Q110 PolarHBondContact O-N 3Å; P108-Q110 PolarHBondContact O-N 3.43Å; P108-Q110 VanDerWaalsContact O-N 3.07Å; Q110-G112 PolarHBondContact O-N 3.46Å |
| 111 | K | 95.8 | Very high | 94.8 | Very high | 40 Ų | 40 | 36.6 Ų | 36.6 | 17% | 0.174 | 20% | 0.197 | C | C | . | . | B | Isolated β-bridge | trans | -52.3 | 134.1 | 163 | -177.7 | 175.9 | -178.4 | -177.6 | 0 | 109.7 | T64 V104 P108 P115 R116 D119 | T64-K111 VanDerWaalsContact CG2-O 3.31Å; T64-K111 WeakPolarHBondContact CG2-O 3.34Å; V104-K111 WeakPolarHBondContact O-CA 3.4Å; V104-K111 PolarHBondContact O-N 3.33Å; P108-K111 WeakPolarHBondContact O-CB 3.44Å; P108-K111 PolarHBondContact O-N 3.36Å; K111-P115 HydrophobicContact CD-CB 4.44Å; K111-P115 HydrophobicContact CD-CG 4.4Å; K111-P115 WeakPolarHBondContact CE-O 3.47Å; K111-P115 HydrophobicContact CG-CB 4.23Å; K111-P115 HydrophobicContact CG-CG 3.66Å; K111-R116 HydrophobicContact CD-CG 4.41Å; K111-R116 HydrophobicContact CG-CG 4.24Å; K111-R116 PolarHBondContact O-NE 2.81Å; K111-D119 WeakPolarHBondContact CE-OD2 3.47Å; K111-D119 IonicContact NZ-OD1 2.7Å; K111-D119 PolarHBondContact NZ-OD1 2.93Å; K111-D119 IonicContact NZ-OD2 2.94Å; K111-D119 PolarHBondContact NZ-OD2 3.02Å |
| 112 | G | 96.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | -73.9 | 174.1 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | T100 M101 Q102 Q110 I114 P115 R116 | T100-G112 WeakPolarHBondContact O-CA 3.42Å; M101-G112 CarbonylContact O-C 3.55Å; Q102-G112 VanDerWaalsContact C-CA 3.41Å; Q102-G112 VanDerWaalsContact O-CA 3.27Å; Q102-G112 WeakPolarHBondContact O-CA 3.4Å; Q102-G112 PolarHBondContact O-N 2.94Å; Q102-G112 VanDerWaalsContact O-N 3.1Å; Q110-G112 PolarHBondContact O-N 3.46Å; G112-I114 PolarHBondContact O-N 2.99Å; G112-P115 WeakPolarHBondContact O-CD 3.4Å; G112-P115 WeakPolarHBondContact O-CG 3.31Å; G112-R116 WeakPolarHBondContact O-CB 3.34Å; G112-R116 VanDerWaalsContact O-CG 3.27Å; G112-R116 WeakPolarHBondContact O-CG 3.29Å; G112-R116 PolarHBondContact O-N 3.12Å | ||
| 113 | V | 97.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.6 | -43.9 | 177.9 | 175.2 | 0 | 0 | 0 | 0 | 112.3 | T64 Y68 C72 I87 T100 M101 R116 A117 L240 I317 | T64-V113 HydrophobicContact CG2-CG2 4.39Å; Y68-V113 HydrophobicContact CD2-CB 4.46Å; Y68-V113 HydrophobicContact CD2-CG1 4.19Å; Y68-V113 HydrophobicContact CD2-CG2 4.47Å; Y68-V113 HydrophobicContact CE2-CG1 4.28Å; C72-V113 HydrophobicContact CB-CG1 4.48Å; I87-V113 HydrophobicContact CD1-CG1 3.88Å; I87-V113 HydrophobicContact CG2-CG1 4.34Å; T100-V113 HydrophobicContact CG2-CG2 4.17Å; T100-V113 WeakPolarHBondContact O-CG2 3.43Å; T100-V113 PolarHBondContact O-N 3.33Å; M101-V113 PolarHBondContact O-N 3.48Å; M101-V113 VanDerWaalsContact O-N 3.14Å; M101-V113 HydrophobicContact SD-CB 4.36Å; V113-R116 PolarHBondContact O-N 3.44Å; V113-A117 WeakPolarHBondContact O-CB 3.35Å; V113-A117 PolarHBondContact O-N 3.34Å; V113-L240 HydrophobicContact CG1-CD2 4.01Å; V113-I317 HydrophobicContact CG2-CD1 4.25Å |
| 114 | I | 95.4 | Very high | 94.8 | Very high | 3 Ų | 3 | 41.6 Ų | 41.6 | 2% | 0.015 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.9 | -58.5 | -178.3 | -66.5 | 164 | 0 | 0 | 0 | 111.1 | M101 G112 R116 A117 F118 M189 W193 F214 L240 | M101-I114 HydrophobicContact CB-CD1 4Å; M101-I114 HydrophobicContact CB-CG1 4.43Å; M101-I114 HydrophobicContact CE-CD1 4.44Å; M101-I114 HydrophobicContact CE-CG1 4.16Å; M101-I114 WeakPolarHBondContact O-CB 3.29Å; M101-I114 WeakPolarHBondContact O-CG1 3.34Å; M101-I114 PolarHBondContact O-N 3.09Å; G112-I114 PolarHBondContact O-N 2.99Å; I114-R116 VanDerWaalsContact C-N 3.26Å; I114-R116 PolarHBondContact O-N 3.09Å; I114-A117 WeakPolarHBondContact O-CB 3.33Å; I114-A117 PolarHBondContact O-N 3.05Å; I114-A117 VanDerWaalsContact O-N 3.17Å; I114-F118 HydrophobicContact CG2-CD2 4.28Å; I114-F118 HydrophobicContact CG2-CE2 4.21Å; I114-F118 WeakPolarHBondContact O-CD2 3.38Å; I114-F118 PolarHBondContact O-N 3.44Å; I114-M189 HydrophobicContact CB-SD 4.48Å; I114-M189 HydrophobicContact CG2-CG 4.49Å; I114-M189 HydrophobicContact CG2-SD 3.74Å; I114-W193 HydrophobicContact CD1-CH2 3.6Å; I114-W193 HydrophobicContact CD1-CZ2 3.8Å; I114-F214 HydrophobicContact CD1-CB 4.41Å; I114-F214 HydrophobicContact CG2-CD1 4.34Å; I114-F214 HydrophobicContact CG2-CG 4.38Å; I114-L240 HydrophobicContact CB-CD1 4.3Å; I114-L240 HydrophobicContact CD1-CB 4.3Å; I114-L240 HydrophobicContact CG1-CB 3.72Å; I114-L240 HydrophobicContact CG1-CD1 3.95Å; I114-L240 HydrophobicContact CG1-CD2 4.36Å; I114-L240 HydrophobicContact CG1-CG 4.21Å; I114-L240 HydrophobicContact CG2-CD1 4.21Å |
| 115 | P | 94.9 | Very high | 94.6 | Very high | 5 Ų | 5 | 41 Ų | 41 | 3% | 0.032 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -71.7 | -20.1 | -176.8 | 32.9 | -41 | 0 | 0 | 0 | 113 | K111 G112 D119 M189 | K111-P115 HydrophobicContact CD-CB 4.44Å; K111-P115 HydrophobicContact CD-CG 4.4Å; K111-P115 WeakPolarHBondContact CE-O 3.47Å; K111-P115 HydrophobicContact CG-CB 4.23Å; K111-P115 HydrophobicContact CG-CG 3.66Å; G112-P115 WeakPolarHBondContact O-CD 3.4Å; G112-P115 WeakPolarHBondContact O-CG 3.31Å; P115-D119 VanDerWaalsContact O-CG 3.29Å; P115-D119 PolarHBondContact O-N 3.39Å; P115-M189 HydrophobicContact CB-CE 3.99Å; P115-M189 HydrophobicContact CB-SD 3.97Å; P115-M189 HydrophobicContact CG-CE 4.33Å; P115-M189 HydrophobicContact CG-SD 4.36Å |
| 116 | R | 96 | Very high | 94.7 | Very high | 24 Ų | 24 | 40 Ų | 40 | 9% | 0.091 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -72.5 | -37.9 | 168.5 | -74.8 | 179.6 | -173.2 | -84 | -8.3 | 113 | E65 Y68 P108 F109 K111 G112 V113 I114 F118 D119 Q120 | E65-R116 IonicContact OE1-CZ 3.82Å; E65-R116 IonicContact OE1-NH1 2.95Å; E65-R116 PolarHBondContact OE1-NH1 3.06Å; E65-R116 IonicContact OE1-NH2 3.76Å; Y68-R116 HydrophobicContact CD1-CB 4.22Å; Y68-R116 HydrophobicContact CD2-CB 3.56Å; Y68-R116 HydrophobicContact CD2-CG 4.4Å; Y68-R116 HydrophobicContact CE1-CB 4.18Å; Y68-R116 HydrophobicContact CE2-CB 3.49Å; Y68-R116 VanDerWaalsContact CE2-CB 3.49Å; Y68-R116 HydrophobicContact CG-CB 3.94Å; Y68-R116 HydrophobicContact CG-CG 4.45Å; Y68-R116 PolarHBondContact OH-O 3.26Å; P108-R116 PolarHBondContact O-NH2 3.38Å; F109-R116 PolarHBondContact O-NH2 2.7Å; K111-R116 HydrophobicContact CD-CG 4.41Å; K111-R116 HydrophobicContact CG-CG 4.24Å; K111-R116 PolarHBondContact O-NE 2.81Å; G112-R116 WeakPolarHBondContact O-CB 3.34Å; G112-R116 VanDerWaalsContact O-CG 3.27Å; G112-R116 WeakPolarHBondContact O-CG 3.29Å; G112-R116 PolarHBondContact O-N 3.12Å; V113-R116 PolarHBondContact O-N 3.44Å; I114-R116 VanDerWaalsContact C-N 3.26Å; I114-R116 PolarHBondContact O-N 3.09Å; R116-F118 PolarHBondContact O-N 2.94Å; R116-D119 PolarHBondContact O-N 3.48Å; R116-D119 VanDerWaalsContact O-N 3.16Å; R116-Q120 PolarHBondContact O-N 2.83Å |
| 117 | A | 96.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58 | -39.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y68 V76 V113 I114 I121 L238 L240 | Y68-A117 HydrophobicContact CE2-CB 4.37Å; Y68-A117 WeakPolarHBondContact OH-CA 3.18Å; Y68-A117 PolarHBondContact OH-N 2.98Å; V76-A117 HydrophobicContact CG1-CB 4.45Å; V76-A117 HydrophobicContact CG2-CB 4.13Å; V113-A117 WeakPolarHBondContact O-CB 3.35Å; V113-A117 PolarHBondContact O-N 3.34Å; I114-A117 WeakPolarHBondContact O-CB 3.33Å; I114-A117 PolarHBondContact O-N 3.05Å; I114-A117 VanDerWaalsContact O-N 3.17Å; A117-I121 WeakPolarHBondContact O-CB 3.43Å; A117-I121 WeakPolarHBondContact O-CD1 3.29Å; A117-I121 WeakPolarHBondContact O-CG1 3.46Å; A117-I121 PolarHBondContact O-N 3.25Å; A117-L238 HydrophobicContact CB-CD2 3.98Å; A117-L240 HydrophobicContact CB-CD1 4.32Å |
| 118 | F | 94.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.9 | -46 | 172.8 | -82.8 | -74.1 | 0 | 0 | 0 | 113.7 | I114 R116 Q120 I121 F122 A137 I179 C185 F214 I216 | I114-F118 HydrophobicContact CG2-CD2 4.28Å; I114-F118 HydrophobicContact CG2-CE2 4.21Å; I114-F118 WeakPolarHBondContact O-CD2 3.38Å; I114-F118 PolarHBondContact O-N 3.44Å; R116-F118 PolarHBondContact O-N 2.94Å; F118-Q120 VanDerWaalsContact C-N 3.28Å; F118-Q120 PolarHBondContact O-N 3.03Å; F118-I121 PolarHBondContact O-N 3.43Å; F118-F122 HydrophobicContact CD1-CD2 4.27Å; F118-F122 AromaticContact CD1-CE2 3.87Å; F118-F122 HydrophobicContact CD1-CE2 3.87Å; F118-F122 HydrophobicContact CE1-CE2 4.49Å; F118-F122 VanDerWaalsContact O-CD2 3.31Å; F118-F122 WeakPolarHBondContact O-CD2 3.21Å; F118-F122 PolarHBondContact O-N 2.93Å; F118-A137 HydrophobicContact CZ-CB 4.4Å; F118-I179 HydrophobicContact CE1-CD1 3.55Å; F118-I179 HydrophobicContact CZ-CD1 3.72Å; F118-C185 HydrophobicContact CB-CB 4.42Å; F118-C185 HydrophobicContact CD1-CB 3.78Å; F118-C185 HydrophobicContact CD2-CB 4.22Å; F118-C185 WeakPolarHBondContact CD2-SG 3.47Å; F118-C185 HydrophobicContact CE1-CB 3.87Å; F118-C185 HydrophobicContact CE2-CB 4.25Å; F118-C185 WeakPolarHBondContact CE2-SG 3.35Å; F118-C185 HydrophobicContact CG-CB 3.91Å; F118-C185 WeakPolarHBondContact CG-SG 3.17Å; F118-C185 HydrophobicContact CZ-CB 4.05Å; F118-F214 HydrophobicContact CE2-CD1 4.22Å; F118-F214 AromaticContact CE2-CE1 3.29Å; F118-F214 HydrophobicContact CE2-CE1 3.29Å; F118-F214 AromaticContact CE2-CZ 3.55Å; F118-F214 HydrophobicContact CE2-CZ 3.55Å; F118-F214 AromaticContact CZ-CE1 3.37Å; F118-F214 HydrophobicContact CZ-CE1 3.37Å; F118-F214 AromaticContact CZ-CZ 3.59Å; F118-F214 HydrophobicContact CZ-CZ 3.59Å; F118-I216 HydrophobicContact CD1-CD1 3.99Å; F118-I216 HydrophobicContact CD2-CD1 3.82Å; F118-I216 HydrophobicContact CE1-CD1 3.68Å; F118-I216 HydrophobicContact CE1-CG1 3.98Å; F118-I216 HydrophobicContact CE1-CG2 4.43Å; F118-I216 HydrophobicContact CE2-CD1 3.54Å; F118-I216 HydrophobicContact CE2-CG1 3.99Å; F118-I216 HydrophobicContact CG-CD1 4.09Å; F118-I216 HydrophobicContact CZ-CD1 3.5Å; F118-I216 VanDerWaalsContact CZ-CD1 3.5Å; F118-I216 HydrophobicContact CZ-CG1 3.6Å |
| 119 | D | 94.6 | Very high | 93.4 | Very high | 53 Ų | 53 | 42.3 Ų | 42.3 | 28% | 0.283 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -54.3 | -49.2 | 176 | -62.7 | -19 | 0 | 0 | 0 | 110.5 | K111 P115 R116 F122 E123 V182 | K111-D119 WeakPolarHBondContact CE-OD2 3.47Å; K111-D119 IonicContact NZ-OD1 2.7Å; K111-D119 PolarHBondContact NZ-OD1 2.93Å; K111-D119 IonicContact NZ-OD2 2.94Å; K111-D119 PolarHBondContact NZ-OD2 3.02Å; P115-D119 VanDerWaalsContact O-CG 3.29Å; P115-D119 PolarHBondContact O-N 3.39Å; R116-D119 PolarHBondContact O-N 3.48Å; R116-D119 VanDerWaalsContact O-N 3.16Å; D119-F122 PolarHBondContact O-N 2.86Å; D119-E123 VanDerWaalsContact O-CB 3.27Å; D119-E123 WeakPolarHBondContact O-CB 3.5Å; D119-E123 PolarHBondContact O-N 3.27Å; D119-V182 WeakPolarHBondContact OD1-CG1 3.5Å |
| 120 | Q | 96.3 | Very high | 92.8 | Very high | 6 Ų | 6 | 42.8 Ų | 42.8 | 3% | 0.028 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61 | -48.8 | 179.2 | -179.5 | 179.5 | -12.3 | 0 | 0 | 111.8 | Y68 Y73 V76 R116 F118 F122 E123 T124 | Y68-Q120 VanDerWaalsContact CZ-OE1 3.32Å; Y68-Q120 PolarHBondContact OH-OE1 2.82Å; Y73-Q120 HydrophobicContact CD2-CG 4.48Å; Y73-Q120 HydrophobicContact CE2-CG 4.14Å; Y73-Q120 PolarHBondContact O-NE2 3.38Å; V76-Q120 HydrophobicContact CG1-CB 4.32Å; V76-Q120 HydrophobicContact CG1-CG 4.16Å; R116-Q120 PolarHBondContact O-N 2.83Å; F118-Q120 VanDerWaalsContact C-N 3.28Å; F118-Q120 PolarHBondContact O-N 3.03Å; Q120-F122 VanDerWaalsContact C-N 3.35Å; Q120-F122 PolarHBondContact O-N 3.08Å; Q120-E123 WeakPolarHBondContact O-CB 3.47Å; Q120-E123 PolarHBondContact O-N 2.81Å; Q120-T124 PolarHBondContact O-N 3.03Å; Q120-T124 PolarHBondContact O-OG1 2.97Å |
| 121 | I | 95.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.6 | -48.3 | -179.7 | -73.1 | 166.5 | 0 | 0 | 0 | 110.4 | V76 T80 A117 F118 E123 T124 M125 I216 L218 L238 | V76-I121 HydrophobicContact CG1-CD1 4.3Å; V76-I121 HydrophobicContact CG1-CG1 3.89Å; T80-I121 HydrophobicContact CG2-CG1 3.99Å; A117-I121 WeakPolarHBondContact O-CB 3.43Å; A117-I121 WeakPolarHBondContact O-CD1 3.29Å; A117-I121 WeakPolarHBondContact O-CG1 3.46Å; A117-I121 PolarHBondContact O-N 3.25Å; F118-I121 PolarHBondContact O-N 3.43Å; I121-E123 VanDerWaalsContact C-N 3.34Å; I121-E123 PolarHBondContact O-N 2.61Å; I121-T124 PolarHBondContact O-N 3.02Å; I121-M125 HydrophobicContact CG2-CG 4.49Å; I121-M125 HydrophobicContact CG2-SD 3.84Å; I121-M125 WeakPolarHBondContact O-CG 3.42Å; I121-M125 PolarHBondContact O-N 2.89Å; I121-I216 HydrophobicContact CD1-CD1 3.89Å; I121-I216 HydrophobicContact CD1-CG2 4.09Å; I121-L218 HydrophobicContact CD1-CD1 4.24Å; I121-L218 HydrophobicContact CG1-CD1 4.29Å; I121-L218 HydrophobicContact CG2-CD1 4.15Å; I121-L218 HydrophobicContact CG2-CD2 3.78Å; I121-L238 HydrophobicContact CD1-CD2 4.37Å |
| 122 | F | 93.5 | Very high | 91.7 | Very high | 25 Ų | 25 | 45.7 Ų | 45.7 | 11% | 0.11 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.7 | -32.7 | -179.9 | -83.1 | -75.1 | 0 | 0 | 0 | 112.7 | F118 D119 Q120 M125 S126 I179 V182 | F118-F122 HydrophobicContact CD1-CD2 4.27Å; F118-F122 AromaticContact CD1-CE2 3.87Å; F118-F122 HydrophobicContact CD1-CE2 3.87Å; F118-F122 HydrophobicContact CE1-CE2 4.49Å; F118-F122 VanDerWaalsContact O-CD2 3.31Å; F118-F122 WeakPolarHBondContact O-CD2 3.21Å; F118-F122 PolarHBondContact O-N 2.93Å; D119-F122 PolarHBondContact O-N 2.86Å; Q120-F122 VanDerWaalsContact C-N 3.35Å; Q120-F122 PolarHBondContact O-N 3.08Å; F122-M125 HydrophobicContact CD1-CE 3.92Å; F122-M125 HydrophobicContact CD1-SD 4Å; F122-M125 HydrophobicContact CE1-CE 3.84Å; F122-M125 HydrophobicContact CE1-SD 4.19Å; F122-M125 HydrophobicContact CG-SD 4.49Å; F122-M125 PolarHBondContact O-N 3.35Å; F122-S126 WeakPolarHBondContact O-CB 3.39Å; F122-S126 PolarHBondContact O-N 3.02Å; F122-I179 HydrophobicContact CE2-CG2 3.99Å; F122-I179 HydrophobicContact CZ-CB 4.32Å; F122-I179 HydrophobicContact CZ-CG2 3.69Å; F122-V182 HydrophobicContact CB-CG2 3.72Å; F122-V182 HydrophobicContact CD2-CG2 3.71Å; F122-V182 HydrophobicContact CG-CG2 3.83Å |
| 123 | E | 94.2 | Very high | 91.2 | Very high | 122 Ų | 122 | 47.8 Ų | 47.8 | 57% | 0.57 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -62.6 | -50.4 | 171 | -176.6 | 174.2 | -168.7 | 0 | 0 | 110.8 | D119 Q120 I121 M125 S126 V127 | D119-E123 VanDerWaalsContact O-CB 3.27Å; D119-E123 WeakPolarHBondContact O-CB 3.5Å; D119-E123 PolarHBondContact O-N 3.27Å; Q120-E123 WeakPolarHBondContact O-CB 3.47Å; Q120-E123 PolarHBondContact O-N 2.81Å; I121-E123 VanDerWaalsContact C-N 3.34Å; I121-E123 PolarHBondContact O-N 2.61Å; E123-M125 VanDerWaalsContact C-N 3.29Å; E123-M125 PolarHBondContact O-N 2.91Å; E123-S126 PolarHBondContact O-N 3.21Å; E123-S126 PolarHBondContact O-OG 3.21Å; E123-V127 WeakPolarHBondContact O-CG2 3.45Å; E123-V127 PolarHBondContact O-N 3.13Å; E123-V127 VanDerWaalsContact O-N 3.13Å |
| 124 | T | 92.4 | Very high | 90.7 | Very high | 39 Ų | 39 | 50.5 Ų | 50.5 | 24% | 0.239 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.3 | -41.7 | 175.7 | -54.8 | 0 | 0 | 0 | 0 | 112 | T80 Q120 I121 S126 V127 S128 | T80-T124 HydrophobicContact CG2-CG2 4.2Å; Q120-T124 PolarHBondContact O-N 3.03Å; Q120-T124 PolarHBondContact O-OG1 2.97Å; I121-T124 PolarHBondContact O-N 3.02Å; T124-S126 VanDerWaalsContact C-N 3.3Å; T124-S126 PolarHBondContact O-N 3.4Å; T124-V127 PolarHBondContact O-N 2.86Å; T124-S128 WeakPolarHBondContact O-CB 3.39Å; T124-S128 PolarHBondContact O-N 3.07Å; T124-S128 VanDerWaalsContact O-N 3.11Å |
| 125 | M | 89.1 | Confident | 90.4 | Very high | 44 Ų | 44 | 50.4 Ų | 50.4 | 22% | 0.217 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62 | -36.3 | 175.6 | -72.1 | 171 | 52 | 0 | 0 | 112.8 | I121 F122 E123 Y133 V135 | I121-M125 HydrophobicContact CG2-CG 4.49Å; I121-M125 HydrophobicContact CG2-SD 3.84Å; I121-M125 WeakPolarHBondContact O-CG 3.42Å; I121-M125 PolarHBondContact O-N 2.89Å; F122-M125 HydrophobicContact CD1-CE 3.92Å; F122-M125 HydrophobicContact CD1-SD 4Å; F122-M125 HydrophobicContact CE1-CE 3.84Å; F122-M125 HydrophobicContact CE1-SD 4.19Å; F122-M125 HydrophobicContact CG-SD 4.49Å; F122-M125 PolarHBondContact O-N 3.35Å; E123-M125 VanDerWaalsContact C-N 3.29Å; E123-M125 PolarHBondContact O-N 2.91Å; M125-Y133 HydrophobicContact CB-CD2 4.15Å; M125-Y133 HydrophobicContact CB-CG 4.43Å; M125-Y133 HydrophobicContact CG-CD1 3.85Å; M125-Y133 HydrophobicContact CG-CD2 3.69Å; M125-Y133 HydrophobicContact CG-CE1 4.35Å; M125-Y133 HydrophobicContact CG-CE2 4.22Å; M125-Y133 HydrophobicContact CG-CG 3.5Å; M125-Y133 HydrophobicContact SD-CG 4.31Å; M125-V135 HydrophobicContact CE-CG2 3.87Å; M125-V135 HydrophobicContact SD-CG2 3.5Å; M125-V135 VanDerWaalsContact SD-CG2 3.5Å |
| 126 | S | 89.6 | Confident | 90.2 | Very high | 96 Ų | 96 | 52 Ų | 52 | 67% | 0.671 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -74.6 | -29.7 | -178.4 | 75.5 | 0 | 0 | 0 | 0 | 113.2 | F122 E123 T124 | F122-S126 WeakPolarHBondContact O-CB 3.39Å; F122-S126 PolarHBondContact O-N 3.02Å; E123-S126 PolarHBondContact O-N 3.21Å; E123-S126 PolarHBondContact O-OG 3.21Å; T124-S126 VanDerWaalsContact C-N 3.3Å; T124-S126 PolarHBondContact O-N 3.4Å |
| 127 | V | 90.3 | Very high | 90 | Very high | 108 Ų | 108 | 50.9 Ų | 50.9 | 66% | 0.655 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -85 | -24.8 | 179.4 | 177.3 | 0 | 0 | 0 | 0 | 111.7 | E123 T124 E129 | E123-V127 WeakPolarHBondContact O-CG2 3.45Å; E123-V127 PolarHBondContact O-N 3.13Å; E123-V127 VanDerWaalsContact O-N 3.13Å; T124-V127 PolarHBondContact O-N 2.86Å; V127-E129 PolarHBondContact O-N 2.98Å |
| 128 | S | 84.6 | Confident | 89.7 | Confident | 34 Ų | 34 | 50.9 Ų | 50.9 | 24% | 0.238 | 26% | 0.262 | C | S | . | . | trans | -76 | 112.6 | -177.6 | -170.9 | 0 | 0 | 0 | 0 | 112.7 | T124 T131 | T124-S128 WeakPolarHBondContact O-CB 3.39Å; T124-S128 PolarHBondContact O-N 3.07Å; T124-S128 VanDerWaalsContact O-N 3.11Å; S128-T131 VanDerWaalsContact OG-CB 3.23Å; S128-T131 WeakPolarHBondContact OG-CB 3.44Å; S128-T131 PolarHBondContact OG-N 3.05Å; S128-T131 PolarHBondContact OG-OG1 3.48Å | ||
| 129 | E | 80.8 | Confident | 89.6 | Confident | 175 Ų | 175 | 50.9 Ų | 50.9 | 82% | 0.818 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -82.2 | -34.5 | 178.6 | -63.1 | -177.8 | 172.3 | 0 | 0 | 112.9 | V127 | V127-E129 PolarHBondContact O-N 2.98Š|
| 130 | K | 82.6 | Confident | 89.4 | Confident | 104 Ų | 104 | 48.5 Ų | 48.5 | 45% | 0.452 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -94.9 | -22.6 | -172 | -59.6 | -166.4 | -178 | -164.8 | 0 | 113.7 | R223 D225 | K130-R223 VanDerWaalsContact O-CB 3.31Å; K130-R223 WeakPolarHBondContact O-CB 3.25Å; K130-R223 WeakPolarHBondContact O-CG 3.36Å; K130-R223 PolarHBondContact O-N 3.28Å; K130-D225 IonicContact NZ-OD1 2.77Å; K130-D225 IonicContact NZ-OD2 2.59Å; K130-D225 PolarHBondContact NZ-OD2 3.23Å |
| 131 | T | 85.1 | Confident | 89 | Confident | 14 Ų | 14 | 49.2 Ų | 49.2 | 9% | 0.086 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 133.5 | -175.6 | -46.7 | 0 | 0 | 0 | 0 | 110.6 | S128 Y133 M220 I221 D222 | S128-T131 VanDerWaalsContact OG-CB 3.23Å; S128-T131 WeakPolarHBondContact OG-CB 3.44Å; S128-T131 PolarHBondContact OG-N 3.05Å; S128-T131 PolarHBondContact OG-OG1 3.48Å; T131-Y133 HydrophobicContact CG2-CD2 4.2Å; T131-Y133 HydrophobicContact CG2-CE1 4.21Å; T131-Y133 HydrophobicContact CG2-CE2 3.65Å; T131-M220 HydrophobicContact CG2-CB 3.93Å; T131-M220 HydrophobicContact CG2-CG 4.2Å; T131-I221 CarbonylContact C-O 3.6Å; T131-I221 WeakPolarHBondContact CA-O 3.44Å; T131-D222 WeakPolarHBondContact CB-OD1 3.43Å; T131-D222 VanDerWaalsContact CG2-OD1 3.25Å; T131-D222 WeakPolarHBondContact CG2-OD1 3.35Å; T131-D222 PolarHBondContact OG1-OD1 3.24Å |
| 132 | K | 84.6 | Confident | 88.5 | Confident | 107 Ų | 107 | 49.5 Ų | 49.5 | 47% | 0.465 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 138.2 | 167.5 | -65.6 | -59.5 | -179.7 | -165.9 | 0 | 109.4 | M220 I221 | K132-M220 CarbonylContact O-C 3.6Å; K132-M220 WeakPolarHBondContact O-CA 3.48Å; K132-I221 HydrophobicContact CB-CB 4.49Å; K132-I221 PolarHBondContact N-O 3.4Å; K132-I221 PolarHBondContact O-N 3.45Å |
| 133 | Y | 87.4 | Confident | 88 | Confident | 45 Ų | 45 | 50.2 Ų | 50.2 | 18% | 0.176 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 141.1 | -176.8 | -62.1 | -103.3 | 0 | 0 | 0 | 110.1 | M125 T131 E219 M220 | M125-Y133 HydrophobicContact CB-CD2 4.15Å; M125-Y133 HydrophobicContact CB-CG 4.43Å; M125-Y133 HydrophobicContact CG-CD1 3.85Å; M125-Y133 HydrophobicContact CG-CD2 3.69Å; M125-Y133 HydrophobicContact CG-CE1 4.35Å; M125-Y133 HydrophobicContact CG-CE2 4.22Å; M125-Y133 HydrophobicContact CG-CG 3.5Å; M125-Y133 HydrophobicContact SD-CG 4.31Å; T131-Y133 HydrophobicContact CG2-CD2 4.2Å; T131-Y133 HydrophobicContact CG2-CE1 4.21Å; T131-Y133 HydrophobicContact CG2-CE2 3.65Å; Y133-E219 CarbonylContact C-O 3.59Å; Y133-E219 VanDerWaalsContact CA-O 3.3Å; Y133-E219 WeakPolarHBondContact CA-O 3.44Å; Y133-M220 HydrophobicContact CD1-CG 3.45Å; Y133-M220 VanDerWaalsContact CD1-CG 3.45Å; Y133-M220 HydrophobicContact CD1-SD 4.21Å; Y133-M220 HydrophobicContact CE1-CG 3.48Å; Y133-M220 VanDerWaalsContact CE1-CG 3.48Å; Y133-M220 HydrophobicContact CE1-SD 3.76Å; Y133-M220 HydrophobicContact CG-CG 4.35Å |
| 134 | L | 86.4 | Confident | 87.2 | Confident | 56 Ų | 56 | 46.8 Ų | 46.8 | 29% | 0.293 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 120.2 | 166.5 | 176.7 | 61.5 | 0 | 0 | 0 | 108.2 | K178 E219 | L134-K178 HydrophobicContact CD1-CD 4.06Å; L134-K178 HydrophobicContact CD1-CG 4.15Å; L134-E219 HydrophobicContact CB-CB 4.25Å; L134-E219 PolarHBondContact N-O 2.66Å; L134-E219 PolarHBondContact O-N 2.8Å |
| 135 | V | 90 | Very high | 86.4 | Confident | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.012 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 125.8 | -175.8 | -173.1 | 0 | 0 | 0 | 0 | 109.5 | M125 K178 I179 I216 Y217 L218 | M125-V135 HydrophobicContact CE-CG2 3.87Å; M125-V135 HydrophobicContact SD-CG2 3.5Å; M125-V135 VanDerWaalsContact SD-CG2 3.5Å; V135-K178 WeakPolarHBondContact O-CA 3.46Å; V135-I179 HydrophobicContact CG1-CB 4.29Å; V135-I179 PolarHBondContact O-N 2.95Å; V135-I216 HydrophobicContact CG1-CG2 3.89Å; V135-Y217 WeakPolarHBondContact CA-O 3.3Å; V135-L218 HydrophobicContact CB-CD2 4.19Å; V135-L218 HydrophobicContact CG1-CD2 3.9Å; V135-L218 HydrophobicContact CG2-CD2 3.64Å |
| 136 | H | 89.5 | Confident | 86 | Confident | 39 Ų | 39 | 47 Ų | 47 | 18% | 0.181 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 152.8 | 166.3 | -61 | 97.1 | 0 | 0 | 0 | 110.2 | M176 H177 I216 Y217 | H136-M176 HydrophobicContact CB-CE 3.76Å; H136-H177 CarbonylContact C-O 3.59Å; H136-H177 VanDerWaalsContact CA-O 3.27Å; H136-H177 WeakPolarHBondContact CA-O 3.17Å; H136-I216 WeakPolarHBondContact O-CA 3.46Å; H136-Y217 PolarHBondContact N-O 3.17Å; H136-Y217 PolarHBondContact O-N 3.4Å |
| 137 | A | 92 | Very high | 85.8 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 152.6 | 165.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | F118 H177 I179 I188 F214 T215 | F118-A137 HydrophobicContact CZ-CB 4.4Å; A137-H177 PolarHBondContact N-O 2.97Å; A137-H177 PolarHBondContact O-N 3.48Å; A137-I179 HydrophobicContact CB-CD1 3.47Å; A137-I179 VanDerWaalsContact CB-CD1 3.47Å; A137-I179 HydrophobicContact CB-CG1 4.42Å; A137-I188 HydrophobicContact CB-CD1 3.86Å; A137-F214 HydrophobicContact CB-CE1 3.8Å; A137-F214 HydrophobicContact CB-CZ 3.79Å; A137-T215 CarbonylContact C-O 3.49Å; A137-T215 WeakPolarHBondContact CA-O 3.32Å; A137-T215 WeakPolarHBondContact CB-O 3.37Å |
| 138 | S | 91.1 | Very high | 85.8 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 149 | 167.7 | 63.8 | 0 | 0 | 0 | 0 | 108.9 | T215 Y217 | S138-T215 PolarHBondContact N-O 3.35Å; S138-T215 PolarHBondContact O-N 3.23Å; S138-Y217 WeakPolarHBondContact OG-CE2 3.48Å |
| 139 | F | 93.1 | Very high | 86.1 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 117.7 | 172.8 | -168 | -170.8 | 0 | 0 | 0 | 108.8 | L150 L151 W193 I213 F214 | F139-L150 HydrophobicContact CB-CB 4.37Å; F139-L150 HydrophobicContact CD1-CB 4.29Å; F139-L150 HydrophobicContact CD1-CD1 4.03Å; F139-L150 HydrophobicContact CD2-CD1 3.77Å; F139-L150 HydrophobicContact CE1-CD1 4.01Å; F139-L150 HydrophobicContact CE2-CD1 3.79Å; F139-L150 HydrophobicContact CG-CB 4.23Å; F139-L150 HydrophobicContact CG-CD1 3.9Å; F139-L150 HydrophobicContact CZ-CD1 3.9Å; F139-L150 WeakPolarHBondContact O-CB 3.45Å; F139-L150 PolarHBondContact O-N 2.99Å; F139-L151 HydrophobicContact CB-CD1 3.79Å; F139-L151 HydrophobicContact CB-CD2 4.31Å; F139-L151 HydrophobicContact CB-CG 3.77Å; F139-W193 HydrophobicContact CE1-CD2 4.07Å; F139-W193 HydrophobicContact CE1-CG 4.37Å; F139-W193 HydrophobicContact CE1-CZ2 4.49Å; F139-W193 HydrophobicContact CZ-CD2 4.24Å; F139-W193 AromaticContact CZ-CE2 3.86Å; F139-W193 HydrophobicContact CZ-CZ2 4.06Å; F139-I213 WeakPolarHBondContact CD2-O 3.2Å; F139-F214 HydrophobicContact CB-CD2 3.75Å; F139-F214 HydrophobicContact CB-CE2 4.11Å; F139-F214 AromaticContact CD1-CD2 3.65Å; F139-F214 HydrophobicContact CD1-CD2 3.65Å; F139-F214 HydrophobicContact CD1-CE2 4.12Å; F139-F214 HydrophobicContact CD2-CB 3.83Å; F139-F214 AromaticContact CD2-CD2 3.82Å; F139-F214 HydrophobicContact CD2-CD2 3.82Å; F139-F214 HydrophobicContact CD2-CG 4.28Å; F139-F214 HydrophobicContact CE1-CD2 4.14Å; F139-F214 HydrophobicContact CE2-CB 4.02Å; F139-F214 HydrophobicContact CE2-CD2 4.25Å; F139-F214 HydrophobicContact CG-CB 4.37Å; F139-F214 AromaticContact CG-CD2 3.49Å; F139-F214 HydrophobicContact CG-CD2 3.49Å; F139-F214 VanDerWaalsContact CG-CD2 3.49Å; F139-F214 HydrophobicContact CG-CE2 4.18Å; F139-F214 HydrophobicContact CG-CG 4.33Å; F139-F214 HydrophobicContact CZ-CD2 4.42Å |
| 140 | L | 90.1 | Very high | 86.7 | Confident | 3 Ų | 3 | 30.1 Ų | 30.1 | 2% | 0.016 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 158.4 | -177.8 | 70.2 | 83.4 | 0 | 0 | 0 | 111.7 | I142 I147 R148 V171 L174 S212 I213 L302 | L140-I142 HydrophobicContact CD1-CD1 4.26Å; L140-I142 HydrophobicContact CD1-CG1 3.7Å; L140-I147 HydrophobicContact CD1-CG2 4.4Å; L140-R148 VanDerWaalsContact CA-O 3.25Å; L140-R148 WeakPolarHBondContact CA-O 3.49Å; L140-R148 WeakPolarHBondContact CB-O 3.45Å; L140-V171 HydrophobicContact CD2-CG2 4.12Å; L140-L174 HydrophobicContact CB-CD1 3.96Å; L140-L174 HydrophobicContact CD2-CD1 4.25Å; L140-L174 HydrophobicContact CD2-CD2 3.87Å; L140-S212 WeakPolarHBondContact O-CA 3.46Å; L140-I213 HydrophobicContact CD1-CB 3.93Å; L140-I213 HydrophobicContact CD1-CD1 3.98Å; L140-I213 HydrophobicContact CD1-CG1 4.17Å; L140-I213 HydrophobicContact CG-CB 4.03Å; L140-I213 PolarHBondContact N-O 2.61Å; L140-I213 PolarHBondContact O-N 3.03Å; L140-L302 HydrophobicContact CD1-CD2 4.3Å; L140-L302 HydrophobicContact CD2-CD2 3.78Å |
| 141 | E | 88 | Confident | 87.2 | Confident | 20 Ų | 20 | 25.4 Ų | 25.4 | 9% | 0.093 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 137 | 174.3 | -173.7 | -179.6 | -145.4 | 0 | 0 | 109.5 | I147 R148 L150 S210 H211 | E141-I147 WeakPolarHBondContact O-CA 3.05Å; E141-R148 PolarHBondContact N-O 3.49Å; E141-R148 PolarHBondContact O-N 3.01Å; E141-L150 HydrophobicContact CB-CD1 4.07Å; E141-L150 HydrophobicContact CB-CD2 3.88Å; E141-L150 HydrophobicContact CB-CG 3.97Å; E141-S210 WeakPolarHBondContact OE1-CB 3.44Å; E141-S210 PolarHBondContact OE1-OG 2.85Å; E141-H211 CarbonylContact C-O 3.59Å; E141-H211 WeakPolarHBondContact CA-O 3.36Å |
| 142 | I | 84.8 | Confident | 87.4 | Confident | 7 Ų | 7 | 25.4 Ų | 25.4 | 4% | 0.036 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 109.6 | 167.1 | -50.5 | 179 | 0 | 0 | 0 | 107.2 | L140 E146 I147 S210 H211 I213 | L140-I142 HydrophobicContact CD1-CD1 4.26Å; L140-I142 HydrophobicContact CD1-CG1 3.7Å; I142-E146 WeakPolarHBondContact CA-O 3.42Å; I142-I147 HydrophobicContact CG1-CG1 4.41Å; I142-S210 CarbonylContact O-C 3.59Å; I142-S210 WeakPolarHBondContact O-CA 3.35Å; I142-H211 HydrophobicContact CB-CB 4.27Å; I142-H211 PolarHBondContact N-O 3.42Å; I142-H211 PolarHBondContact O-N 3.39Å; I142-I213 HydrophobicContact CD1-CD1 3.88Å |
| 143 | Y | 82.3 | Confident | 87.4 | Confident | 40 Ų | 40 | 31.7 Ų | 31.7 | 16% | 0.157 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 124.7 | 178.9 | 173.9 | -105.3 | 0 | 0 | 0 | 109.6 | E145 E146 R209 E261 | Y143-E145 VanDerWaalsContact C-N 3.26Å; Y143-E145 PolarHBondContact O-N 3.42Å; Y143-E146 PolarHBondContact N-O 3.05Å; Y143-E146 WeakPolarHBondContact O-CB 3.3Å; Y143-E146 PolarHBondContact O-N 2.84Å; Y143-R209 HydrophobicContact CD2-CB 4.25Å; Y143-R209 HydrophobicContact CE2-CB 3.86Å; Y143-E261 VanDerWaalsContact CE2-OE1 3.32Å; Y143-E261 WeakPolarHBondContact CE2-OE1 3.33Å; Y143-E261 VanDerWaalsContact CZ-OE1 3.31Å; Y143-E261 PolarHBondContact OH-OE1 2.82Å |
| 144 | N | 77.2 | Confident | 87.3 | Confident | 49 Ų | 49 | 34 Ų | 34 | 26% | 0.262 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 41.6 | -179.8 | -176 | 44.3 | 0 | 0 | 0 | 113.4 | E146 K264 | N144-E146 PolarHBondContact O-N 3.03Å; N144-K264 WeakPolarHBondContact OD1-CD 3.22Å; N144-K264 PolarHBondContact OD1-NZ 3.06Å |
| 145 | E | 74.9 | Confident | 87.1 | Confident | 43 Ų | 43 | 34.3 Ų | 34.3 | 20% | 0.201 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.8 | 14.9 | -173.9 | -55.4 | -60.7 | 124 | 0 | 0 | 114.7 | Y143 S268 F297 N299 | Y143-E145 VanDerWaalsContact C-N 3.26Å; Y143-E145 PolarHBondContact O-N 3.42Å; E145-S268 WeakPolarHBondContact OE1-CB 3.44Å; E145-F297 HydrophobicContact CG-CD1 4.48Å; E145-N299 PolarHBondContact O-ND2 3.41Å |
| 146 | E | 82 | Confident | 86.7 | Confident | 44 Ų | 44 | 40.1 Ų | 40.1 | 21% | 0.206 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 134.7 | 170.5 | -59.1 | -176.4 | 166.9 | 0 | 0 | 109.8 | I142 Y143 N144 R148 K158 | I142-E146 WeakPolarHBondContact CA-O 3.42Å; Y143-E146 PolarHBondContact N-O 3.05Å; Y143-E146 WeakPolarHBondContact O-CB 3.3Å; Y143-E146 PolarHBondContact O-N 2.84Å; N144-E146 PolarHBondContact O-N 3.03Å; E146-R148 IonicContact OE2-CZ 3.89Å; E146-R148 IonicContact OE2-NE 2.79Å; E146-R148 IonicContact OE2-NH2 4Å; E146-R148 PolarHBondContact OE2-NH2 3.43Å; E146-K158 VanDerWaalsContact CD-CE 3.43Å; E146-K158 HydrophobicContact CG-CD 4.33Å; E146-K158 WeakPolarHBondContact OE1-CE 3.44Å; E146-K158 IonicContact OE1-NZ 2.61Å; E146-K158 PolarHBondContact OE1-NZ 3.08Å; E146-K158 WeakPolarHBondContact OE2-CE 3.42Å; E146-K158 IonicContact OE2-NZ 3.77Å |
| 147 | I | 85.8 | Confident | 86.6 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 133.8 | 175.7 | -56.3 | 176.9 | 0 | 0 | 0 | 108.7 | L140 E141 I142 L159 L161 V171 N299 | L140-I147 HydrophobicContact CD1-CG2 4.4Å; E141-I147 WeakPolarHBondContact O-CA 3.05Å; I142-I147 HydrophobicContact CG1-CG1 4.41Å; I147-L159 HydrophobicContact CB-CB 4.22Å; I147-L159 HydrophobicContact CG2-CB 4.11Å; I147-L159 HydrophobicContact CG2-CD1 4.24Å; I147-L159 PolarHBondContact O-N 2.89Å; I147-L161 HydrophobicContact CD1-CD1 4.38Å; I147-L161 HydrophobicContact CD1-CD2 3.67Å; I147-L161 HydrophobicContact CD1-CG 3.59Å; I147-V171 HydrophobicContact CD1-CG2 4.35Å; I147-V171 HydrophobicContact CG2-CG1 3.83Å; I147-V171 HydrophobicContact CG2-CG2 4.38Å; I147-N299 HydrophobicContact CD1-CB 4.23Å; I147-N299 HydrophobicContact CG1-CB 4.4Å |
| 148 | R | 89.2 | Confident | 86.4 | Confident | 50 Ų | 50 | 46.5 Ų | 46.5 | 19% | 0.189 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 142.8 | 178.2 | -59.3 | -179.9 | -175.5 | -148.2 | -3.5 | 110.6 | L140 E141 E146 | L140-R148 VanDerWaalsContact CA-O 3.25Å; L140-R148 WeakPolarHBondContact CA-O 3.49Å; L140-R148 WeakPolarHBondContact CB-O 3.45Å; E141-R148 PolarHBondContact N-O 3.49Å; E141-R148 PolarHBondContact O-N 3.01Å; E146-R148 IonicContact OE2-CZ 3.89Å; E146-R148 IonicContact OE2-NE 2.79Å; E146-R148 IonicContact OE2-NH2 4Å; E146-R148 PolarHBondContact OE2-NH2 3.43Å |
| 149 | D | 91.8 | Very high | 86.2 | Confident | 6 Ų | 6 | 47.9 Ų | 47.9 | 3% | 0.032 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 112.3 | 172.9 | -171.2 | -12.4 | 0 | 0 | 0 | 110.3 | L151 G152 Y155 L159 L174 S175 | D149-L151 PolarHBondContact O-N 3.42Å; D149-L151 WeakPolarHBondContact OD1-CA 3.3Å; D149-L151 PolarHBondContact OD1-N 3.16Å; D149-G152 PolarHBondContact OD1-N 3.49Å; D149-G152 WeakPolarHBondContact OD2-CA 3.35Å; D149-G152 PolarHBondContact OD2-N 3.16Å; D149-Y155 VanDerWaalsContact O-CA 3.23Å; D149-Y155 WeakPolarHBondContact O-CA 3.31Å; D149-Y155 VanDerWaalsContact O-CB 3.23Å; D149-Y155 WeakPolarHBondContact O-CB 3.14Å; D149-L159 HydrophobicContact CB-CD1 3.93Å; D149-L174 HydrophobicContact CB-CD1 4.22Å; D149-S175 VanDerWaalsContact CG-OG 3.26Å; D149-S175 PolarHBondContact OD1-OG 2.86Å; D149-S175 WeakPolarHBondContact OD2-CA 3.45Å; D149-S175 WeakPolarHBondContact OD2-CB 3.47Å; D149-S175 PolarHBondContact OD2-N 2.98Å; D149-S175 PolarHBondContact OD2-OG 2.84Å |
| 150 | L | 93.1 | Very high | 85.8 | Confident | 2 Ų | 2 | 54.2 Ų | 54.2 | 1% | 0.01 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -73.8 | -13.2 | 178.4 | -63.5 | 176 | 0 | 0 | 0 | 112.7 | F139 E141 N195 R196 | F139-L150 HydrophobicContact CB-CB 4.37Å; F139-L150 HydrophobicContact CD1-CB 4.29Å; F139-L150 HydrophobicContact CD1-CD1 4.03Å; F139-L150 HydrophobicContact CD2-CD1 3.77Å; F139-L150 HydrophobicContact CE1-CD1 4.01Å; F139-L150 HydrophobicContact CE2-CD1 3.79Å; F139-L150 HydrophobicContact CG-CB 4.23Å; F139-L150 HydrophobicContact CG-CD1 3.9Å; F139-L150 HydrophobicContact CZ-CD1 3.9Å; F139-L150 WeakPolarHBondContact O-CB 3.45Å; F139-L150 PolarHBondContact O-N 2.99Å; E141-L150 HydrophobicContact CB-CD1 4.07Å; E141-L150 HydrophobicContact CB-CD2 3.88Å; E141-L150 HydrophobicContact CB-CG 3.97Å; L150-N195 HydrophobicContact CD2-CB 4.36Å; L150-N195 PolarHBondContact O-ND2 2.79Å; L150-R196 HydrophobicContact CD1-CB 4.05Å; L150-R196 HydrophobicContact CD2-CB 3.9Å |
| 151 | L | 93 | Very high | 85.3 | Confident | 5 Ų | 5 | 55.9 Ų | 55.9 | 3% | 0.026 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -110.7 | -7.3 | 179.6 | -58.9 | -177.3 | 0 | 0 | 0 | 113.3 | F139 D149 H177 I188 R191 | F139-L151 HydrophobicContact CB-CD1 3.79Å; F139-L151 HydrophobicContact CB-CD2 4.31Å; F139-L151 HydrophobicContact CB-CG 3.77Å; D149-L151 PolarHBondContact O-N 3.42Å; D149-L151 WeakPolarHBondContact OD1-CA 3.3Å; D149-L151 PolarHBondContact OD1-N 3.16Å; L151-H177 VanDerWaalsContact CB-NE2 3.31Å; L151-H177 WeakPolarHBondContact CB-NE2 3.29Å; L151-H177 PolarHBondContact O-NE2 2.7Å; L151-I188 HydrophobicContact CD1-CB 4.37Å; L151-I188 HydrophobicContact CD1-CD1 4.4Å; L151-I188 HydrophobicContact CD2-CB 4.16Å; L151-I188 WeakPolarHBondContact CD2-O 3.41Å; L151-R191 PolarHBondContact O-NH2 3.41Å |
| 152 | G | 88.2 | Confident | 84.8 | Confident | 14 Ų | 14 | 59.4 Ų | 59.4 | 14% | 0.144 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -69 | 161.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | D149 | D149-G152 PolarHBondContact OD1-N 3.49Å; D149-G152 WeakPolarHBondContact OD2-CA 3.35Å; D149-G152 PolarHBondContact OD2-N 3.16Å |
| 153 | Y | 84.7 | Confident | 84.1 | Confident | 240 Ų | 240 | 65.8 Ų | 65.8 | 94% | 0.941 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -47 | 176 | -179.6 | -95.9 | 0 | 0 | 0 | 111.5 | ||
| 154 | D | 86.4 | Confident | 83.3 | Confident | 93 Ų | 93 | 66.2 Ų | 66.2 | 50% | 0.497 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | 85.4 | 169.4 | -173.9 | 2.8 | 0 | 0 | 0 | 110.5 | K156 A157 | D154-K156 PolarHBondContact O-N 3.49Å; D154-K156 VanDerWaalsContact O-N 3.1Å; D154-K156 WeakPolarHBondContact OD1-CB 3.47Å; D154-K156 PolarHBondContact OD1-N 3.02Å; D154-A157 HydrophobicContact CB-CB 4.06Å; D154-A157 VanDerWaalsContact O-CB 3.3Å; D154-A157 WeakPolarHBondContact O-CB 3.41Å; D154-A157 PolarHBondContact O-N 3.25Å; D154-A157 VanDerWaalsContact O-N 3.08Å; D154-A157 PolarHBondContact OD1-N 3.18Å |
| 155 | Y | 82 | Confident | 82.6 | Confident | 63 Ų | 63 | 70.2 Ų | 70.2 | 25% | 0.247 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -1.8 | 177.6 | 67.5 | -86.5 | 0 | 0 | 0 | 114.1 | D149 N195 | D149-Y155 VanDerWaalsContact O-CA 3.23Å; D149-Y155 WeakPolarHBondContact O-CA 3.31Å; D149-Y155 VanDerWaalsContact O-CB 3.23Å; D149-Y155 WeakPolarHBondContact O-CB 3.14Å; Y155-N195 HydrophobicContact CD2-CB 3.97Å; Y155-N195 HydrophobicContact CE2-CB 4.43Å; Y155-N195 HydrophobicContact CG-CB 4.14Å |
| 156 | K | 82 | Confident | 81.8 | Confident | 124 Ų | 124 | 75.4 Ų | 75.4 | 54% | 0.539 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | -13.1 | 172.8 | -62.2 | -179.8 | -178.6 | 175.7 | 0 | 112.3 | D154 | D154-K156 PolarHBondContact O-N 3.49Å; D154-K156 VanDerWaalsContact O-N 3.1Å; D154-K156 WeakPolarHBondContact OD1-CB 3.47Å; D154-K156 PolarHBondContact OD1-N 3.02Å |
| 157 | A | 86.3 | Confident | 80.8 | Confident | 35 Ų | 35 | 81 Ų | 81 | 29% | 0.289 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -62.8 | 142.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | D154 | D154-A157 HydrophobicContact CB-CB 4.06Å; D154-A157 VanDerWaalsContact O-CB 3.3Å; D154-A157 WeakPolarHBondContact O-CB 3.41Å; D154-A157 PolarHBondContact O-N 3.25Å; D154-A157 VanDerWaalsContact O-N 3.08Å; D154-A157 PolarHBondContact OD1-N 3.18Å |
| 158 | K | 88.7 | Confident | 79.8 | Confident | 137 Ų | 137 | 82.4 Ų | 82.4 | 60% | 0.596 | 41% | 0.405 | S | S | * | . | trans | -85.7 | 136.3 | 174.1 | -57.7 | -175.2 | -168.7 | -172.5 | 0 | 108.9 | E146 | E146-K158 VanDerWaalsContact CD-CE 3.43Å; E146-K158 HydrophobicContact CG-CD 4.33Å; E146-K158 WeakPolarHBondContact OE1-CE 3.44Å; E146-K158 IonicContact OE1-NZ 2.61Å; E146-K158 PolarHBondContact OE1-NZ 3.08Å; E146-K158 WeakPolarHBondContact OE2-CE 3.42Å; E146-K158 IonicContact OE2-NZ 3.77Å | ||
| 159 | L | 87.8 | Confident | 78.9 | Confident | 29 Ų | 29 | 80.9 Ų | 80.9 | 15% | 0.152 | 40% | 0.401 | C | S | . | . | B | Isolated β-bridge | trans | -106.3 | 157.5 | 173.2 | -53 | 176.8 | 0 | 0 | 0 | 110.6 | I147 D149 V171 L174 | I147-L159 HydrophobicContact CB-CB 4.22Å; I147-L159 HydrophobicContact CG2-CB 4.11Å; I147-L159 HydrophobicContact CG2-CD1 4.24Å; I147-L159 PolarHBondContact O-N 2.89Å; D149-L159 HydrophobicContact CB-CD1 3.93Å; L159-V171 HydrophobicContact CB-CG1 3.62Å; L159-V171 HydrophobicContact CD1-CG1 3.55Å; L159-V171 HydrophobicContact CG-CG1 4.25Å; L159-L174 HydrophobicContact CD1-CB 4.35Å; L159-L174 HydrophobicContact CD1-CD1 4.22Å |
| 160 | E | 83.8 | Confident | 78.1 | Confident | 133 Ų | 133 | 84.9 Ų | 84.9 | 62% | 0.621 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 142.8 | 179.5 | -64.2 | -177.2 | 160.8 | 0 | 0 | 110.7 | A172 | E160-A172 PolarHBondContact O-N 2.99Å |
| 161 | L | 78.9 | Confident | 77.6 | Confident | 38 Ų | 38 | 85.4 Ų | 85.4 | 20% | 0.199 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 138.5 | 163.1 | -75.7 | -170.7 | 0 | 0 | 0 | 110.3 | I147 V169 Y170 V171 P298 N299 L302 | I147-L161 HydrophobicContact CD1-CD1 4.38Å; I147-L161 HydrophobicContact CD1-CD2 3.67Å; I147-L161 HydrophobicContact CD1-CG 3.59Å; L161-V169 HydrophobicContact CD1-CG1 3.95Å; L161-V169 HydrophobicContact CD2-CG1 3.91Å; L161-V169 HydrophobicContact CG-CG1 4.38Å; L161-Y170 WeakPolarHBondContact CA-O 3.49Å; L161-V171 HydrophobicContact CD2-CB 4.49Å; L161-V171 HydrophobicContact CD2-CG2 3.65Å; L161-P298 VanDerWaalsContact CD1-O 3.29Å; L161-P298 WeakPolarHBondContact CD1-O 3.28Å; L161-N299 HydrophobicContact CD1-CB 4.34Å; L161-N299 VanDerWaalsContact CD1-OD1 3.27Å; L161-N299 WeakPolarHBondContact CD1-OD1 3.41Å; L161-N299 WeakPolarHBondContact CG-OD1 3.29Å; L161-L302 HydrophobicContact CD2-CD1 3.85Å |
| 162 | K | 78.5 | Confident | 77 | Confident | 95 Ų | 95 | 86.2 Ų | 86.2 | 41% | 0.413 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 156.1 | 171.6 | -64.8 | -167.5 | -177.6 | -175.2 | 0 | 109.7 | V169 Y170 A172 | K162-V169 CarbonylContact O-C 3.59Å; K162-V169 WeakPolarHBondContact O-CA 3.32Å; K162-Y170 HydrophobicContact CB-CD1 4.24Å; K162-Y170 HydrophobicContact CB-CE1 3.57Å; K162-Y170 HydrophobicContact CB-CE2 4.14Å; K162-Y170 PolarHBondContact N-O 3.48Å; K162-Y170 VanDerWaalsContact O-CD1 3.32Å; K162-Y170 WeakPolarHBondContact O-CD1 3.47Å; K162-Y170 PolarHBondContact O-N 3.08Å; K162-Y170 VanDerWaalsContact O-O 3.13Å; K162-A172 HydrophobicContact CD-CB 3.76Å; K162-A172 HydrophobicContact CG-CB 4Å |
| 163 | E | 70.7 | Confident | 76.8 | Confident | 141 Ų | 141 | 88.8 Ų | 88.8 | 66% | 0.659 | 45% | 0.454 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 139.6 | 173.8 | -73.5 | 175.6 | -165 | 0 | 0 | 109.5 | V169 | E163-V169 HydrophobicContact CG-CG2 3.83Å |
| 164 | N | 65.3 | Low | 76.9 | Confident | 49 Ų | 49 | 78.6 Ų | 78.6 | 26% | 0.262 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 134.5 | 169.9 | -179.9 | -65.8 | 0 | 0 | 0 | 108.1 | D166 K167 G168 Y170 | N164-D166 PolarHBondContact O-N 3.38Å; N164-D166 WeakPolarHBondContact OD1-CA 3.27Å; N164-D166 WeakPolarHBondContact OD1-CB 3.39Å; N164-D166 PolarHBondContact OD1-N 2.6Å; N164-K167 HydrophobicContact CB-CB 4.09Å; N164-K167 PolarHBondContact OD1-N 2.89Å; N164-K167 VanDerWaalsContact OD1-N 3.08Å; N164-G168 PolarHBondContact N-O 2.89Å; N164-G168 VanDerWaalsContact O-CA 3.3Å; N164-G168 WeakPolarHBondContact O-CA 3.41Å; N164-G168 PolarHBondContact O-N 2.88Å; N164-Y170 HydrophobicContact CB-CD1 3.96Å; N164-Y170 HydrophobicContact CB-CE1 3.71Å |
| 165 | P | 60.9 | Low | 77 | Confident | 132 Ų | 132 | 75.6 Ų | 75.6 | 86% | 0.857 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -35.2 | 179.8 | -26.3 | 34.6 | 0 | 0 | 0 | 114.3 | ||
| 166 | D | 58.9 | Low | 77.2 | Confident | 153 Ų | 153 | 76.7 Ų | 76.7 | 82% | 0.818 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | -40 | -175.2 | -54.3 | -44.9 | 0 | 0 | 0 | 112.4 | N164 | N164-D166 PolarHBondContact O-N 3.38Å; N164-D166 WeakPolarHBondContact OD1-CA 3.27Å; N164-D166 WeakPolarHBondContact OD1-CB 3.39Å; N164-D166 PolarHBondContact OD1-N 2.6Å |
| 167 | K | 60.1 | Low | 77.6 | Confident | 162 Ų | 162 | 73 Ų | 73 | 70% | 0.704 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | -10.8 | -175.2 | -61.3 | -175.1 | 179 | -178.5 | 0 | 114.2 | N164 | N164-K167 HydrophobicContact CB-CB 4.09Å; N164-K167 PolarHBondContact OD1-N 2.89Å; N164-K167 VanDerWaalsContact OD1-N 3.08Å |
| 168 | G | 65.2 | Low | 77.6 | Confident | 29 Ų | 29 | 77.7 Ų | 77.7 | 30% | 0.299 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 72.6 | -153.6 | -171 | 0 | 0 | 0 | 0 | 0 | 112.8 | N164 | N164-G168 PolarHBondContact N-O 2.89Å; N164-G168 VanDerWaalsContact O-CA 3.3Å; N164-G168 WeakPolarHBondContact O-CA 3.41Å; N164-G168 PolarHBondContact O-N 2.88Å |
| 169 | V | 70.5 | Confident | 77.6 | Confident | 18 Ų | 18 | 71.5 Ų | 71.5 | 11% | 0.109 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 126.9 | 178.3 | 176.3 | 0 | 0 | 0 | 0 | 110.4 | L161 K162 E163 L302 Q305 | L161-V169 HydrophobicContact CD1-CG1 3.95Å; L161-V169 HydrophobicContact CD2-CG1 3.91Å; L161-V169 HydrophobicContact CG-CG1 4.38Å; K162-V169 CarbonylContact O-C 3.59Å; K162-V169 WeakPolarHBondContact O-CA 3.32Å; E163-V169 HydrophobicContact CG-CG2 3.83Å; V169-L302 HydrophobicContact CG1-CD1 4.44Å; V169-Q305 VanDerWaalsContact CG2-OE1 3.22Å |
| 170 | Y | 74.6 | Confident | 77.5 | Confident | 90 Ų | 90 | 74.1 Ų | 74.1 | 35% | 0.353 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 159.9 | 177.5 | 72.4 | -78.7 | 0 | 0 | 0 | 111.7 | L161 K162 N164 A172 | L161-Y170 WeakPolarHBondContact CA-O 3.49Å; K162-Y170 HydrophobicContact CB-CD1 4.24Å; K162-Y170 HydrophobicContact CB-CE1 3.57Å; K162-Y170 HydrophobicContact CB-CE2 4.14Å; K162-Y170 PolarHBondContact N-O 3.48Å; K162-Y170 VanDerWaalsContact O-CD1 3.32Å; K162-Y170 WeakPolarHBondContact O-CD1 3.47Å; K162-Y170 PolarHBondContact O-N 3.08Å; K162-Y170 VanDerWaalsContact O-O 3.13Å; N164-Y170 HydrophobicContact CB-CD1 3.96Å; N164-Y170 HydrophobicContact CB-CE1 3.71Å; Y170-A172 HydrophobicContact CE2-CB 4.34Å |
| 171 | V | 82.7 | Confident | 77.6 | Confident | 14 Ų | 14 | 69.7 Ų | 69.7 | 9% | 0.085 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 115.4 | 176.9 | -176.6 | 0 | 0 | 0 | 0 | 108.7 | L140 I147 L159 L161 L174 L302 | L140-V171 HydrophobicContact CD2-CG2 4.12Å; I147-V171 HydrophobicContact CD1-CG2 4.35Å; I147-V171 HydrophobicContact CG2-CG1 3.83Å; I147-V171 HydrophobicContact CG2-CG2 4.38Å; L159-V171 HydrophobicContact CB-CG1 3.62Å; L159-V171 HydrophobicContact CD1-CG1 3.55Å; L159-V171 HydrophobicContact CG-CG1 4.25Å; L161-V171 HydrophobicContact CD2-CB 4.49Å; L161-V171 HydrophobicContact CD2-CG2 3.65Å; V171-L174 HydrophobicContact CB-CB 3.9Å; V171-L174 HydrophobicContact CB-CD2 4.13Å; V171-L174 HydrophobicContact CG1-CB 3.92Å; V171-L174 HydrophobicContact CG2-CD2 4.45Å; V171-L174 PolarHBondContact O-N 2.89Å; V171-L302 HydrophobicContact CG2-CD1 3.84Å; V171-L302 HydrophobicContact CG2-CD2 3.9Å |
| 172 | A | 81.9 | Confident | 78 | Confident | 22 Ų | 22 | 69.9 Ų | 69.9 | 18% | 0.182 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 132.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | E160 K162 Y170 L174 | E160-A172 PolarHBondContact O-N 2.99Å; K162-A172 HydrophobicContact CD-CB 3.76Å; K162-A172 HydrophobicContact CG-CB 4Å; Y170-A172 HydrophobicContact CE2-CB 4.34Å; A172-L174 VanDerWaalsContact C-N 3.27Å; A172-L174 PolarHBondContact O-N 3.27Å |
| 173 | G | 83 | Confident | 78.5 | Confident | 68 Ų | 68 | 67.8 Ų | 67.8 | 70% | 0.701 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.2 | 5.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | S175 | G173-S175 PolarHBondContact O-N 2.92Š|
| 174 | L | 85.8 | Confident | 79.4 | Confident | 26 Ų | 26 | 64.7 Ų | 64.7 | 14% | 0.136 | 37% | 0.371 | C | S | . | . | trans | -65.3 | 123.3 | 173.1 | -178.3 | 64.8 | 0 | 0 | 0 | 110.2 | L140 D149 L159 V171 A172 | L140-L174 HydrophobicContact CB-CD1 3.96Å; L140-L174 HydrophobicContact CD2-CD1 4.25Å; L140-L174 HydrophobicContact CD2-CD2 3.87Å; D149-L174 HydrophobicContact CB-CD1 4.22Å; L159-L174 HydrophobicContact CD1-CB 4.35Å; L159-L174 HydrophobicContact CD1-CD1 4.22Å; V171-L174 HydrophobicContact CB-CB 3.9Å; V171-L174 HydrophobicContact CB-CD2 4.13Å; V171-L174 HydrophobicContact CG1-CB 3.92Å; V171-L174 HydrophobicContact CG2-CD2 4.45Å; V171-L174 PolarHBondContact O-N 2.89Å; A172-L174 VanDerWaalsContact C-N 3.27Å; A172-L174 PolarHBondContact O-N 3.27Å | ||
| 175 | S | 88.5 | Confident | 80.5 | Confident | 29 Ų | 29 | 62.4 Ų | 62.4 | 20% | 0.203 | 36% | 0.359 | C | S | . | . | trans | -72.4 | 138.8 | 179.7 | 67.5 | 0 | 0 | 0 | 0 | 112 | D149 G173 H177 | D149-S175 VanDerWaalsContact CG-OG 3.26Å; D149-S175 PolarHBondContact OD1-OG 2.86Å; D149-S175 WeakPolarHBondContact OD2-CA 3.45Å; D149-S175 WeakPolarHBondContact OD2-CB 3.47Å; D149-S175 PolarHBondContact OD2-N 2.98Å; D149-S175 PolarHBondContact OD2-OG 2.84Å; G173-S175 PolarHBondContact O-N 2.92Å; S175-H177 WeakPolarHBondContact CB-NE2 3.23Å; S175-H177 PolarHBondContact OG-NE2 3.42Å | ||
| 176 | M | 87.4 | Confident | 81.8 | Confident | 86 Ų | 86 | 59.5 Ų | 59.5 | 42% | 0.424 | 33% | 0.334 | S | S | . | . | trans | -113.9 | 116.2 | 178.4 | -63.3 | -64.5 | -66.2 | 0 | 0 | 108.3 | H136 Y217 | H136-M176 HydrophobicContact CB-CE 3.76Å; M176-Y217 HydrophobicContact CE-CD1 4.25Å; M176-Y217 HydrophobicContact CE-CD2 3.15Å; M176-Y217 HydrophobicContact CE-CE1 4.35Å; M176-Y217 HydrophobicContact CE-CE2 3.26Å; M176-Y217 HydrophobicContact CE-CG 3.67Å; M176-Y217 HydrophobicContact SD-CD2 4.24Å; M176-Y217 HydrophobicContact SD-CE2 3.77Å | ||
| 177 | H | 89.5 | Confident | 83.4 | Confident | 46 Ų | 46 | 57.1 Ų | 57.1 | 21% | 0.213 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 118.3 | -176.2 | -64.5 | -97.3 | 0 | 0 | 0 | 109 | H136 A137 L151 S175 R191 | H136-H177 CarbonylContact C-O 3.59Å; H136-H177 VanDerWaalsContact CA-O 3.27Å; H136-H177 WeakPolarHBondContact CA-O 3.17Å; A137-H177 PolarHBondContact N-O 2.97Å; A137-H177 PolarHBondContact O-N 3.48Å; L151-H177 VanDerWaalsContact CB-NE2 3.31Å; L151-H177 WeakPolarHBondContact CB-NE2 3.29Å; L151-H177 PolarHBondContact O-NE2 2.7Å; S175-H177 WeakPolarHBondContact CB-NE2 3.23Å; S175-H177 PolarHBondContact OG-NE2 3.42Å; H177-R191 PolarHBondContact CE1-NH2 3.43Å; H177-R191 PolarHBondContact ND1-NH2 2.8Å |
| 178 | K | 87.5 | Confident | 84.9 | Confident | 135 Ų | 135 | 50.3 Ų | 50.3 | 59% | 0.587 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 132.4 | 171.7 | -179.2 | 178.4 | 176.4 | 179 | 0 | 109.5 | L134 V135 T180 | L134-K178 HydrophobicContact CD1-CD 4.06Å; L134-K178 HydrophobicContact CD1-CG 4.15Å; V135-K178 WeakPolarHBondContact O-CA 3.46Å; K178-T180 HydrophobicContact CG-CG2 4.48Å |
| 179 | I | 88.5 | Confident | 86.1 | Confident | 6 Ų | 6 | 49.6 Ų | 49.6 | 3% | 0.031 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 129.7 | -179.9 | -50.5 | 173.9 | 0 | 0 | 0 | 108.9 | F118 F122 V135 A137 S181 E184 C185 I188 | F118-I179 HydrophobicContact CE1-CD1 3.55Å; F118-I179 HydrophobicContact CZ-CD1 3.72Å; F122-I179 HydrophobicContact CE2-CG2 3.99Å; F122-I179 HydrophobicContact CZ-CB 4.32Å; F122-I179 HydrophobicContact CZ-CG2 3.69Å; V135-I179 HydrophobicContact CG1-CB 4.29Å; V135-I179 PolarHBondContact O-N 2.95Å; A137-I179 HydrophobicContact CB-CD1 3.47Å; A137-I179 VanDerWaalsContact CB-CD1 3.47Å; A137-I179 HydrophobicContact CB-CG1 4.42Å; I179-S181 VanDerWaalsContact CG2-O 3.26Å; I179-S181 WeakPolarHBondContact CG2-O 3.02Å; I179-E184 HydrophobicContact CG2-CB 4.04Å; I179-C185 HydrophobicContact CD1-CB 4.49Å; I179-C185 HydrophobicContact CG2-CB 4.02Å; I179-I188 HydrophobicContact CD1-CD1 3.43Å; I179-I188 VanDerWaalsContact CD1-CD1 3.43Å; I179-I188 HydrophobicContact CG1-CD1 3.99Å |
| 180 | T | 84.5 | Confident | 87 | Confident | 84 Ų | 84 | 54.2 Ų | 54.2 | 52% | 0.515 | 30% | 0.302 | S | S | . | . | trans | -115.8 | -12.4 | -178.8 | 66.9 | 0 | 0 | 0 | 0 | 113.3 | K178 E184 | K178-T180 HydrophobicContact CG-CG2 4.48Å; T180-E184 PolarHBondContact N-OE2 2.91Å; T180-E184 VanDerWaalsContact OG1-CD 3.23Å; T180-E184 PolarHBondContact OG1-OE1 2.89Å; T180-E184 PolarHBondContact OG1-OE2 3.19Å | ||
| 181 | S | 86.2 | Confident | 87.9 | Confident | 41 Ų | 41 | 54.8 Ų | 54.8 | 29% | 0.287 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -148.6 | 160.7 | 177.6 | 68.8 | 0 | 0 | 0 | 0 | 113.3 | I179 A183 E184 C185 | I179-S181 VanDerWaalsContact CG2-O 3.26Å; I179-S181 WeakPolarHBondContact CG2-O 3.02Å; S181-A183 PolarHBondContact O-N 3.25Å; S181-E184 PolarHBondContact O-N 3.45Å; S181-E184 WeakPolarHBondContact OG-CG 2.99Å; S181-E184 PolarHBondContact OG-N 2.85Å; S181-C185 PolarHBondContact O-N 3.48Å; S181-C185 VanDerWaalsContact O-N 3.16Å |
| 182 | V | 87.7 | Confident | 88.3 | Confident | 41 Ų | 41 | 54.1 Ų | 54.1 | 25% | 0.248 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.3 | -35.5 | 173.3 | 178.9 | 0 | 0 | 0 | 0 | 111.8 | D119 F122 C185 Q186 | D119-V182 WeakPolarHBondContact OD1-CG1 3.5Å; F122-V182 HydrophobicContact CB-CG2 3.72Å; F122-V182 HydrophobicContact CD2-CG2 3.71Å; F122-V182 HydrophobicContact CG-CG2 3.83Å; V182-C185 VanDerWaalsContact O-CB 3.29Å; V182-C185 WeakPolarHBondContact O-CB 3.34Å; V182-C185 PolarHBondContact O-N 2.79Å; V182-Q186 WeakPolarHBondContact O-CG 3.4Å; V182-Q186 PolarHBondContact O-N 2.92Å |
| 183 | A | 89.4 | Confident | 88.5 | Confident | 52 Ų | 52 | 54.3 Ų | 54.3 | 43% | 0.43 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -67 | -41.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | S181 C185 Q186 N187 | S181-A183 PolarHBondContact O-N 3.25Å; A183-C185 VanDerWaalsContact C-N 3.3Å; A183-C185 PolarHBondContact O-N 3.21Å; A183-Q186 PolarHBondContact O-N 3.35Å; A183-N187 VanDerWaalsContact O-CG 3.3Å; A183-N187 PolarHBondContact O-N 3.16Å; A183-N187 PolarHBondContact O-ND2 3.1Å |
| 184 | E | 89.3 | Confident | 88.7 | Confident | 75 Ų | 75 | 58 Ų | 58 | 35% | 0.35 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.9 | -40.8 | 173.6 | -76.3 | 178.2 | 173.2 | 0 | 0 | 111.7 | I179 T180 S181 Q186 N187 I188 | I179-E184 HydrophobicContact CG2-CB 4.04Å; T180-E184 PolarHBondContact N-OE2 2.91Å; T180-E184 VanDerWaalsContact OG1-CD 3.23Å; T180-E184 PolarHBondContact OG1-OE1 2.89Å; T180-E184 PolarHBondContact OG1-OE2 3.19Å; S181-E184 PolarHBondContact O-N 3.45Å; S181-E184 WeakPolarHBondContact OG-CG 2.99Å; S181-E184 PolarHBondContact OG-N 2.85Å; E184-Q186 PolarHBondContact O-N 3.02Å; E184-N187 PolarHBondContact O-N 2.83Å; E184-I188 PolarHBondContact O-N 3.22Å |
| 185 | C | 87.5 | Confident | 88.9 | Confident | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.007 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -55.3 | -51.9 | 172.1 | 152.9 | 0 | 0 | 0 | 0 | 111.2 | F118 I179 S181 V182 A183 N187 I188 M189 | F118-C185 HydrophobicContact CB-CB 4.42Å; F118-C185 HydrophobicContact CD1-CB 3.78Å; F118-C185 HydrophobicContact CD2-CB 4.22Å; F118-C185 WeakPolarHBondContact CD2-SG 3.47Å; F118-C185 HydrophobicContact CE1-CB 3.87Å; F118-C185 HydrophobicContact CE2-CB 4.25Å; F118-C185 WeakPolarHBondContact CE2-SG 3.35Å; F118-C185 HydrophobicContact CG-CB 3.91Å; F118-C185 WeakPolarHBondContact CG-SG 3.17Å; F118-C185 HydrophobicContact CZ-CB 4.05Å; I179-C185 HydrophobicContact CD1-CB 4.49Å; I179-C185 HydrophobicContact CG2-CB 4.02Å; S181-C185 PolarHBondContact O-N 3.48Å; S181-C185 VanDerWaalsContact O-N 3.16Å; V182-C185 VanDerWaalsContact O-CB 3.29Å; V182-C185 WeakPolarHBondContact O-CB 3.34Å; V182-C185 PolarHBondContact O-N 2.79Å; A183-C185 VanDerWaalsContact C-N 3.3Å; A183-C185 PolarHBondContact O-N 3.21Å; C185-N187 VanDerWaalsContact C-N 3.25Å; C185-N187 PolarHBondContact O-N 3.4Å; C185-I188 WeakPolarHBondContact O-CG1 3.28Å; C185-I188 PolarHBondContact O-N 2.88Å; C185-M189 WeakPolarHBondContact O-CB 3.34Å; C185-M189 PolarHBondContact O-N 3.27Å |
| 186 | Q | 88.5 | Confident | 88.7 | Confident | 72 Ų | 72 | 57.1 Ų | 57.1 | 34% | 0.336 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -57.9 | -41.4 | -180 | -72.7 | 177.1 | -27 | 0 | 0 | 111.4 | V182 A183 E184 M189 E190 | V182-Q186 WeakPolarHBondContact O-CG 3.4Å; V182-Q186 PolarHBondContact O-N 2.92Å; A183-Q186 PolarHBondContact O-N 3.35Å; E184-Q186 PolarHBondContact O-N 3.02Å; Q186-M189 WeakPolarHBondContact O-CB 3.34Å; Q186-M189 PolarHBondContact O-N 3.12Å; Q186-E190 WeakPolarHBondContact O-CB 3.48Å; Q186-E190 WeakPolarHBondContact O-CG 3.37Å; Q186-E190 PolarHBondContact O-N 3.28Å |
| 187 | N | 92.2 | Very high | 88 | Confident | 102 Ų | 102 | 57.1 Ų | 57.1 | 55% | 0.545 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.3 | -47.8 | 178.1 | -69.4 | -27.4 | 0 | 0 | 0 | 113.2 | A183 E184 C185 M189 R191 | A183-N187 VanDerWaalsContact O-CG 3.3Å; A183-N187 PolarHBondContact O-N 3.16Å; A183-N187 PolarHBondContact O-ND2 3.1Å; E184-N187 PolarHBondContact O-N 2.83Å; C185-N187 VanDerWaalsContact C-N 3.25Å; C185-N187 PolarHBondContact O-N 3.4Å; N187-M189 PolarHBondContact O-N 3.04Å; N187-R191 WeakPolarHBondContact O-CB 3.23Å; N187-R191 PolarHBondContact O-N 3.44Å |
| 188 | I | 92.4 | Very high | 86.9 | Confident | 19 Ų | 19 | 58 Ų | 58 | 10% | 0.097 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.1 | -35.5 | 178.3 | 63.2 | 166.6 | 0 | 0 | 0 | 111 | A137 L151 I179 E184 C185 R191 G192 F214 | A137-I188 HydrophobicContact CB-CD1 3.86Å; L151-I188 HydrophobicContact CD1-CB 4.37Å; L151-I188 HydrophobicContact CD1-CD1 4.4Å; L151-I188 HydrophobicContact CD2-CB 4.16Å; L151-I188 WeakPolarHBondContact CD2-O 3.41Å; I179-I188 HydrophobicContact CD1-CD1 3.43Å; I179-I188 VanDerWaalsContact CD1-CD1 3.43Å; I179-I188 HydrophobicContact CG1-CD1 3.99Å; E184-I188 PolarHBondContact O-N 3.22Å; C185-I188 WeakPolarHBondContact O-CG1 3.28Å; C185-I188 PolarHBondContact O-N 2.88Å; I188-R191 PolarHBondContact O-N 3.42Å; I188-G192 PolarHBondContact O-N 2.85Å; I188-F214 HydrophobicContact CD1-CE2 4.4Å; I188-F214 HydrophobicContact CD1-CZ 3.93Å; I188-F214 HydrophobicContact CG1-CZ 4.47Å |
| 189 | M | 90.6 | Very high | 85.2 | Confident | 14 Ų | 14 | 53.2 Ų | 53.2 | 7% | 0.069 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -68.1 | -48.8 | -177.5 | 179 | -173.4 | 82.7 | 0 | 0 | 110.1 | I114 P115 C185 Q186 N187 R191 G192 W193 F214 | I114-M189 HydrophobicContact CB-SD 4.48Å; I114-M189 HydrophobicContact CG2-CG 4.49Å; I114-M189 HydrophobicContact CG2-SD 3.74Å; P115-M189 HydrophobicContact CB-CE 3.99Å; P115-M189 HydrophobicContact CB-SD 3.97Å; P115-M189 HydrophobicContact CG-CE 4.33Å; P115-M189 HydrophobicContact CG-SD 4.36Å; C185-M189 WeakPolarHBondContact O-CB 3.34Å; C185-M189 PolarHBondContact O-N 3.27Å; Q186-M189 WeakPolarHBondContact O-CB 3.34Å; Q186-M189 PolarHBondContact O-N 3.12Å; N187-M189 PolarHBondContact O-N 3.04Å; M189-R191 PolarHBondContact O-N 3.39Å; M189-G192 PolarHBondContact O-N 3.22Å; M189-W193 HydrophobicContact CB-CE3 4.43Å; M189-W193 HydrophobicContact CB-CZ3 4.2Å; M189-W193 HydrophobicContact CE-CZ3 3.82Å; M189-W193 HydrophobicContact CG-CE3 3.39Å; M189-W193 HydrophobicContact CG-CH2 3.64Å; M189-W193 HydrophobicContact CG-CZ3 2.85Å; M189-W193 PolarHBondContact O-N 2.98Å; M189-W193 HydrophobicContact SD-CE3 4.38Å; M189-W193 HydrophobicContact SD-CH2 3.93Å; M189-W193 HydrophobicContact SD-CZ3 3.38Å; M189-W193 WeakPolarHBondContact SD-CZ3 3.31Å; M189-F214 HydrophobicContact CB-CE2 4.34Å |
| 190 | E | 90.4 | Very high | 83.4 | Confident | 115 Ų | 115 | 54.5 Ų | 54.5 | 54% | 0.537 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.4 | -42.3 | 171.9 | -73.9 | 178.7 | -172.3 | 0 | 0 | 112.6 | Q186 W193 K194 | Q186-E190 WeakPolarHBondContact O-CB 3.48Å; Q186-E190 WeakPolarHBondContact O-CG 3.37Å; Q186-E190 PolarHBondContact O-N 3.28Å; E190-W193 PolarHBondContact O-N 3.23Å; E190-K194 WeakPolarHBondContact O-CB 3.4Å; E190-K194 PolarHBondContact O-N 2.95Å |
| 191 | R | 92.5 | Very high | 81.5 | Confident | 102 Ų | 102 | 54.7 Ų | 54.7 | 39% | 0.385 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -58.9 | -50.5 | 176.1 | -175.7 | 178.1 | 78.6 | -167.5 | 0.9 | 111.3 | L151 H177 N187 I188 M189 W193 K194 N195 | L151-R191 PolarHBondContact O-NH2 3.41Å; H177-R191 PolarHBondContact CE1-NH2 3.43Å; H177-R191 PolarHBondContact ND1-NH2 2.8Å; N187-R191 WeakPolarHBondContact O-CB 3.23Å; N187-R191 PolarHBondContact O-N 3.44Å; I188-R191 PolarHBondContact O-N 3.42Å; M189-R191 PolarHBondContact O-N 3.39Å; R191-W193 VanDerWaalsContact C-N 3.32Å; R191-W193 PolarHBondContact O-N 3.01Å; R191-K194 PolarHBondContact O-N 3.47Å; R191-N195 PolarHBondContact O-N 3.27Å |
| 192 | G | 91.5 | Very high | 79.5 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63 | -38.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | I188 M189 N195 R196 | I188-G192 PolarHBondContact O-N 2.85Å; M189-G192 PolarHBondContact O-N 3.22Å; G192-N195 PolarHBondContact O-N 3.39Å; G192-R196 WeakPolarHBondContact O-CB 3.36Å; G192-R196 PolarHBondContact O-N 3.49Å |
| 193 | W | 85.6 | Confident | 77.3 | Confident | 27 Ų | 27 | 67 Ų | 67 | 10% | 0.102 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -67.2 | -40.4 | 173.9 | -92.3 | -65.1 | 0 | 0 | 0 | 113.7 | Q102 I114 F139 M189 E190 R191 N195 R196 S197 | Q102-W193 HydrophobicContact CB-CH2 3.65Å; Q102-W193 HydrophobicContact CB-CZ2 3.7Å; Q102-W193 HydrophobicContact CB-CZ3 4.1Å; Q102-W193 HydrophobicContact CG-CD2 4.28Å; Q102-W193 HydrophobicContact CG-CE3 4Å; Q102-W193 HydrophobicContact CG-CH2 3.61Å; Q102-W193 HydrophobicContact CG-CZ2 3.91Å; Q102-W193 HydrophobicContact CG-CZ3 3.5Å; I114-W193 HydrophobicContact CD1-CH2 3.6Å; I114-W193 HydrophobicContact CD1-CZ2 3.8Å; F139-W193 HydrophobicContact CE1-CD2 4.07Å; F139-W193 HydrophobicContact CE1-CG 4.37Å; F139-W193 HydrophobicContact CE1-CZ2 4.49Å; F139-W193 HydrophobicContact CZ-CD2 4.24Å; F139-W193 AromaticContact CZ-CE2 3.86Å; F139-W193 HydrophobicContact CZ-CZ2 4.06Å; M189-W193 HydrophobicContact CB-CE3 4.43Å; M189-W193 HydrophobicContact CB-CZ3 4.2Å; M189-W193 HydrophobicContact CE-CZ3 3.82Å; M189-W193 HydrophobicContact CG-CE3 3.39Å; M189-W193 HydrophobicContact CG-CH2 3.64Å; M189-W193 HydrophobicContact CG-CZ3 2.85Å; M189-W193 PolarHBondContact O-N 2.98Å; M189-W193 HydrophobicContact SD-CE3 4.38Å; M189-W193 HydrophobicContact SD-CH2 3.93Å; M189-W193 HydrophobicContact SD-CZ3 3.38Å; M189-W193 WeakPolarHBondContact SD-CZ3 3.31Å; E190-W193 PolarHBondContact O-N 3.23Å; R191-W193 VanDerWaalsContact C-N 3.32Å; R191-W193 PolarHBondContact O-N 3.01Å; W193-N195 VanDerWaalsContact C-N 3.27Å; W193-N195 PolarHBondContact O-N 3.38Å; W193-R196 PolarHBondContact O-N 2.95Å; W193-S197 WeakPolarHBondContact O-CB 3.27Å; W193-S197 PolarHBondContact O-N 3.29Å |
| 194 | K | 87.1 | Confident | 75.4 | Confident | 145 Ų | 145 | 67.6 Ų | 67.6 | 63% | 0.63 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -60.8 | -40.9 | 173.4 | -174 | 178.7 | 178.6 | -179.3 | 0 | 110.7 | E190 R191 S197 T198 | E190-K194 WeakPolarHBondContact O-CB 3.4Å; E190-K194 PolarHBondContact O-N 2.95Å; R191-K194 PolarHBondContact O-N 3.47Å; K194-S197 PolarHBondContact O-N 3.1Å; K194-T198 HydrophobicContact CG-CG2 4.18Å; K194-T198 WeakPolarHBondContact O-CB 3.45Å; K194-T198 VanDerWaalsContact O-CG2 3.24Å; K194-T198 WeakPolarHBondContact O-CG2 3.23Å; K194-T198 PolarHBondContact O-N 3.08Å; K194-T198 PolarHBondContact O-OG1 2.78Å |
| 195 | N | 89.2 | Confident | 73.5 | Confident | 24 Ų | 24 | 67.1 Ų | 67.1 | 13% | 0.128 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -66.3 | -42.8 | 177 | -71 | -10.1 | 0 | 0 | 0 | 111.9 | L150 Y155 R191 G192 W193 S197 T198 G199 | L150-N195 HydrophobicContact CD2-CB 4.36Å; L150-N195 PolarHBondContact O-ND2 2.79Å; Y155-N195 HydrophobicContact CD2-CB 3.97Å; Y155-N195 HydrophobicContact CE2-CB 4.43Å; Y155-N195 HydrophobicContact CG-CB 4.14Å; R191-N195 PolarHBondContact O-N 3.27Å; G192-N195 PolarHBondContact O-N 3.39Å; W193-N195 VanDerWaalsContact C-N 3.27Å; W193-N195 PolarHBondContact O-N 3.38Å; N195-S197 VanDerWaalsContact C-N 3.3Å; N195-S197 PolarHBondContact O-N 3.13Å; N195-T198 WeakPolarHBondContact CA-OG1 3.32Å; N195-T198 PolarHBondContact O-N 3.41Å; N195-T198 PolarHBondContact O-OG1 3.29Å; N195-G199 PolarHBondContact O-N 2.51Å |
| 196 | R | 85.8 | Confident | 72.5 | Confident | 12 Ų | 12 | 70.2 Ų | 70.2 | 5% | 0.045 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -57.9 | -42.6 | 172.2 | -173.5 | 179.5 | 175.5 | -162 | -6 | 111.5 | L150 G192 W193 S207 S210 S212 D242 | L150-R196 HydrophobicContact CD1-CB 4.05Å; L150-R196 HydrophobicContact CD2-CB 3.9Å; G192-R196 WeakPolarHBondContact O-CB 3.36Å; G192-R196 PolarHBondContact O-N 3.49Å; W193-R196 PolarHBondContact O-N 2.95Å; R196-S207 PolarHBondContact NH2-O 2.84Å; R196-S210 PolarHBondContact NE-OG 3.5Å; R196-S210 PolarHBondContact NH2-O 2.78Å; R196-S210 PolarHBondContact NH2-OG 2.88Å; R196-S212 PolarHBondContact NH1-OG 3.09Å; R196-D242 IonicContact CZ-OD2 3.68Å; R196-D242 IonicContact NH1-OD2 2.89Å; R196-D242 PolarHBondContact NH1-OD2 3.04Å; R196-D242 IonicContact NH2-OD2 2.67Å; R196-D242 PolarHBondContact NH2-OD2 2.88Å |
| 197 | S | 72.9 | Confident | 71.7 | Confident | 86 Ų | 86 | 69.5 Ų | 69.5 | 60% | 0.601 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -73.5 | -34.4 | 179.5 | -178.7 | 0 | 0 | 0 | 0 | 113.4 | W193 K194 N195 A200 | W193-S197 WeakPolarHBondContact O-CB 3.27Å; W193-S197 PolarHBondContact O-N 3.29Å; K194-S197 PolarHBondContact O-N 3.1Å; N195-S197 VanDerWaalsContact C-N 3.3Å; N195-S197 PolarHBondContact O-N 3.13Å; S197-A200 WeakPolarHBondContact O-CB 3.42Å |
| 198 | T | 65.1 | Low | 71.1 | Confident | 66 Ų | 66 | 65.4 Ų | 65.4 | 41% | 0.405 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -91 | -17.4 | -175.1 | 55.2 | 0 | 0 | 0 | 0 | 114.6 | K194 N195 A200 | K194-T198 HydrophobicContact CG-CG2 4.18Å; K194-T198 WeakPolarHBondContact O-CB 3.45Å; K194-T198 VanDerWaalsContact O-CG2 3.24Å; K194-T198 WeakPolarHBondContact O-CG2 3.23Å; K194-T198 PolarHBondContact O-N 3.08Å; K194-T198 PolarHBondContact O-OG1 2.78Å; N195-T198 WeakPolarHBondContact CA-OG1 3.32Å; N195-T198 PolarHBondContact O-N 3.41Å; N195-T198 PolarHBondContact O-OG1 3.29Å; T198-A200 PolarHBondContact O-N 2.81Å |
| 199 | G | 52.9 | Low | 70.5 | Confident | 34 Ų | 34 | 65.7 Ų | 65.7 | 35% | 0.351 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -56.5 | -15.5 | 167.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | N195 T201 | N195-G199 PolarHBondContact O-N 2.51Å; G199-T201 PolarHBondContact O-N 3.34Å |
| 200 | A | 49.7 | Very low | 70.2 | Confident | 33 Ų | 33 | 65 Ų | 65 | 27% | 0.273 | 36% | 0.361 | S | S | . | . | trans | -65.4 | 101.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | S197 T198 A205 | S197-A200 WeakPolarHBondContact O-CB 3.42Å; T198-A200 PolarHBondContact O-N 2.81Å; A200-A205 VanDerWaalsContact CB-CA 3.45Å; A200-A205 HydrophobicContact CB-CB 3.52Å | ||
| 201 | T | 45 | Very low | 70 | Confident | 87 Ų | 87 | 60 Ų | 60 | 53% | 0.534 | 34% | 0.337 | S | S | . | . | trans | -62.1 | 150.8 | 149.9 | 55.1 | 0 | 0 | 0 | 0 | 109.3 | G199 M203 N204 | G199-T201 PolarHBondContact O-N 3.34Å; T201-M203 PolarHBondContact O-N 3.49Å; T201-N204 PolarHBondContact O-N 3.42Å | ||
| 202 | L | 43.7 | Very low | 69.9 | Low | 192 Ų | 192 | 55.2 Ų | 55.2 | 100% | 1.005 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -43 | -22.2 | 176.9 | -95.5 | 118.2 | 0 | 0 | 0 | 115.2 | ||
| 203 | M | 42.7 | Very low | 69.8 | Low | 149 Ų | 149 | 55.4 Ų | 55.4 | 73% | 0.734 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -24.8 | -179 | -140 | 174.3 | -128.8 | 0 | 0 | 114.8 | T201 | T201-M203 PolarHBondContact O-N 3.49Š|
| 204 | N | 48.1 | Very low | 70.2 | Confident | 65 Ų | 65 | 54.1 Ų | 54.1 | 35% | 0.348 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -130.2 | 19.3 | -164.2 | -62.9 | -30 | 0 | 0 | 0 | 114.1 | T201 D206 | T201-N204 PolarHBondContact O-N 3.42Å; N204-D206 VanDerWaalsContact C-N 3.31Å; N204-D206 PolarHBondContact O-N 2.91Å |
| 205 | A | 51 | Low | 70.4 | Confident | 65 Ų | 65 | 47.4 Ų | 47.4 | 54% | 0.537 | 29% | 0.287 | S | S | . | . | trans | -74.3 | 66 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | A200 | A200-A205 VanDerWaalsContact CB-CA 3.45Å; A200-A205 HydrophobicContact CB-CB 3.52Å | ||
| 206 | D | 65.6 | Low | 70.6 | Confident | 65 Ų | 65 | 46.3 Ų | 46.3 | 35% | 0.348 | 28% | 0.28 | S | S | . | . | trans | -141.3 | 106.3 | 169.8 | -152 | -11.3 | 0 | 0 | 0 | 113.9 | N204 S208 R209 | N204-D206 VanDerWaalsContact C-N 3.31Å; N204-D206 PolarHBondContact O-N 2.91Å; D206-S208 PolarHBondContact O-N 2.84Å; D206-S208 WeakPolarHBondContact OD1-CB 3.5Å; D206-S208 PolarHBondContact OD1-N 3.01Å; D206-S208 PolarHBondContact OD1-OG 2.83Å; D206-S208 VanDerWaalsContact OD1-OG 3.08Å; D206-S208 WeakPolarHBondContact OD2-CB 3.16Å; D206-S208 PolarHBondContact OD2-OG 2.8Å; D206-R209 HydrophobicContact CB-CG 4.38Å; D206-R209 WeakPolarHBondContact O-CB 3.23Å; D206-R209 PolarHBondContact O-N 2.65Å | ||
| 207 | S | 72.6 | Confident | 70.8 | Confident | 57 Ų | 57 | 48.4 Ų | 48.4 | 40% | 0.399 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -55.5 | -15.9 | 166.6 | 51.8 | 0 | 0 | 0 | 0 | 112.4 | R196 R209 S210 | R196-S207 PolarHBondContact NH2-O 2.84Å; S207-R209 PolarHBondContact O-N 2.88Å; S207-S210 PolarHBondContact O-OG 2.79Å |
| 208 | S | 78.3 | Confident | 71.7 | Confident | 16 Ų | 16 | 44.4 Ų | 44.4 | 11% | 0.112 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -63.6 | -20.8 | 171.8 | 82.2 | 0 | 0 | 0 | 0 | 114.4 | T93 D206 A244 G245 | T93-S208 VanDerWaalsContact CG2-CB 3.46Å; T93-S208 VanDerWaalsContact OG1-CB 3.25Å; T93-S208 WeakPolarHBondContact OG1-CB 3.42Å; D206-S208 PolarHBondContact O-N 2.84Å; D206-S208 WeakPolarHBondContact OD1-CB 3.5Å; D206-S208 PolarHBondContact OD1-N 3.01Å; D206-S208 PolarHBondContact OD1-OG 2.83Å; D206-S208 VanDerWaalsContact OD1-OG 3.08Å; D206-S208 WeakPolarHBondContact OD2-CB 3.16Å; D206-S208 PolarHBondContact OD2-OG 2.8Å; S208-A244 CarbonylContact O-C 3.59Å; S208-A244 VanDerWaalsContact O-CA 3.26Å; S208-A244 WeakPolarHBondContact O-CA 3.25Å; S208-A244 WeakPolarHBondContact O-CB 3.45Å; S208-G245 PolarHBondContact O-N 3.1Å |
| 209 | R | 79.9 | Confident | 72.8 | Confident | 26 Ų | 26 | 45.9 Ų | 45.9 | 10% | 0.098 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -99.1 | -8.4 | -174.5 | -69.4 | -169.5 | 178.7 | -170.4 | -11.4 | 114.2 | Y143 D206 S207 E261 I265 | Y143-R209 HydrophobicContact CD2-CB 4.25Å; Y143-R209 HydrophobicContact CE2-CB 3.86Å; D206-R209 HydrophobicContact CB-CG 4.38Å; D206-R209 WeakPolarHBondContact O-CB 3.23Å; D206-R209 PolarHBondContact O-N 2.65Å; S207-R209 PolarHBondContact O-N 2.88Å; R209-E261 WeakPolarHBondContact CD-OE1 3.13Å; R209-E261 IonicContact CZ-OE1 2.9Å; R209-E261 IonicContact CZ-OE2 3.74Å; R209-E261 IonicContact NE-OE1 3.42Å; R209-E261 IonicContact NH1-OE1 3.28Å; R209-E261 PolarHBondContact NH1-OE1 3.4Å; R209-E261 IonicContact NH1-OE2 3.76Å; R209-E261 PolarHBondContact NH1-OE2 2.83Å; R209-I265 HydrophobicContact CB-CD1 3.49Å; R209-I265 VanDerWaalsContact CB-CD1 3.49Å; R209-I265 HydrophobicContact CG-CD1 3.85Å; R209-I265 VanDerWaalsContact O-CD1 3.31Å; R209-I265 WeakPolarHBondContact O-CD1 3.4Å |
| 210 | S | 84.7 | Confident | 74.4 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -105.2 | 143.6 | 178.4 | 64.2 | 0 | 0 | 0 | 0 | 110.2 | E141 I142 R196 S207 | E141-S210 WeakPolarHBondContact OE1-CB 3.44Å; E141-S210 PolarHBondContact OE1-OG 2.85Å; I142-S210 CarbonylContact O-C 3.59Å; I142-S210 WeakPolarHBondContact O-CA 3.35Å; R196-S210 PolarHBondContact NE-OG 3.5Å; R196-S210 PolarHBondContact NH2-O 2.78Å; R196-S210 PolarHBondContact NH2-OG 2.88Å; S207-S210 PolarHBondContact O-OG 2.79Å |
| 211 | H | 86.7 | Confident | 76 | Confident | 8 Ų | 8 | 45.9 Ų | 45.9 | 4% | 0.037 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 139.7 | 159.6 | -50.6 | -86.9 | 0 | 0 | 0 | 108.6 | E141 I142 D242 L243 A244 | E141-H211 CarbonylContact C-O 3.59Å; E141-H211 WeakPolarHBondContact CA-O 3.36Å; I142-H211 HydrophobicContact CB-CB 4.27Å; I142-H211 PolarHBondContact N-O 3.42Å; I142-H211 PolarHBondContact O-N 3.39Å; H211-D242 WeakPolarHBondContact CA-O 3.25Å; H211-L243 WeakPolarHBondContact ND1-CA 3.36Å; H211-L243 VanDerWaalsContact ND1-CD2 3.31Å; H211-L243 WeakPolarHBondContact ND1-CD2 3.48Å; H211-A244 PolarHBondContact CE1-N 2.7Å; H211-A244 PolarHBondContact ND1-N 2.88Å |
| 212 | S | 89 | Confident | 77.8 | Confident | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.014 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 132.6 | 170 | 75.9 | 0 | 0 | 0 | 0 | 110.4 | L140 R196 V241 D242 | L140-S212 WeakPolarHBondContact O-CA 3.46Å; R196-S212 PolarHBondContact NH1-OG 3.09Å; S212-V241 WeakPolarHBondContact O-CA 3.48Å; S212-D242 PolarHBondContact N-O 2.9Å; S212-D242 PolarHBondContact O-N 3.01Å |
| 213 | I | 91.3 | Very high | 79 | Confident | 5 Ų | 5 | 40.7 Ų | 40.7 | 3% | 0.026 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 108.4 | -177.9 | -58.1 | 172.8 | 0 | 0 | 0 | 107.2 | F139 L140 I142 V241 L302 L303 | F139-I213 WeakPolarHBondContact CD2-O 3.2Å; L140-I213 HydrophobicContact CD1-CB 3.93Å; L140-I213 HydrophobicContact CD1-CD1 3.98Å; L140-I213 HydrophobicContact CD1-CG1 4.17Å; L140-I213 HydrophobicContact CG-CB 4.03Å; L140-I213 PolarHBondContact N-O 2.61Å; L140-I213 PolarHBondContact O-N 3.03Å; I142-I213 HydrophobicContact CD1-CD1 3.88Å; I213-V241 HydrophobicContact CG1-CG1 4.02Å; I213-V241 HydrophobicContact CG1-CG2 4.15Å; I213-V241 HydrophobicContact CG2-CG2 4.25Å; I213-L302 HydrophobicContact CD1-CD2 3.98Å; I213-L303 HydrophobicContact CD1-CD2 3.45Å; I213-L303 VanDerWaalsContact CD1-CD2 3.45Å; I213-L303 HydrophobicContact CD1-CG 3.99Å; I213-L303 HydrophobicContact CG1-CD2 3.97Å |
| 214 | F | 92.7 | Very high | 79.9 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 118.1 | 170.7 | -168.1 | -72.1 | 0 | 0 | 0 | 107.7 | I114 F118 A137 F139 I188 M189 I216 L240 | I114-F214 HydrophobicContact CD1-CB 4.41Å; I114-F214 HydrophobicContact CG2-CD1 4.34Å; I114-F214 HydrophobicContact CG2-CG 4.38Å; F118-F214 HydrophobicContact CE2-CD1 4.22Å; F118-F214 AromaticContact CE2-CE1 3.29Å; F118-F214 HydrophobicContact CE2-CE1 3.29Å; F118-F214 AromaticContact CE2-CZ 3.55Å; F118-F214 HydrophobicContact CE2-CZ 3.55Å; F118-F214 AromaticContact CZ-CE1 3.37Å; F118-F214 HydrophobicContact CZ-CE1 3.37Å; F118-F214 AromaticContact CZ-CZ 3.59Å; F118-F214 HydrophobicContact CZ-CZ 3.59Å; A137-F214 HydrophobicContact CB-CE1 3.8Å; A137-F214 HydrophobicContact CB-CZ 3.79Å; F139-F214 HydrophobicContact CB-CD2 3.75Å; F139-F214 HydrophobicContact CB-CE2 4.11Å; F139-F214 AromaticContact CD1-CD2 3.65Å; F139-F214 HydrophobicContact CD1-CD2 3.65Å; F139-F214 HydrophobicContact CD1-CE2 4.12Å; F139-F214 HydrophobicContact CD2-CB 3.83Å; F139-F214 AromaticContact CD2-CD2 3.82Å; F139-F214 HydrophobicContact CD2-CD2 3.82Å; F139-F214 HydrophobicContact CD2-CG 4.28Å; F139-F214 HydrophobicContact CE1-CD2 4.14Å; F139-F214 HydrophobicContact CE2-CB 4.02Å; F139-F214 HydrophobicContact CE2-CD2 4.25Å; F139-F214 HydrophobicContact CG-CB 4.37Å; F139-F214 AromaticContact CG-CD2 3.49Å; F139-F214 HydrophobicContact CG-CD2 3.49Å; F139-F214 VanDerWaalsContact CG-CD2 3.49Å; F139-F214 HydrophobicContact CG-CE2 4.18Å; F139-F214 HydrophobicContact CG-CG 4.33Å; F139-F214 HydrophobicContact CZ-CD2 4.42Å; I188-F214 HydrophobicContact CD1-CE2 4.4Å; I188-F214 HydrophobicContact CD1-CZ 3.93Å; I188-F214 HydrophobicContact CG1-CZ 4.47Å; M189-F214 HydrophobicContact CB-CE2 4.34Å; F214-I216 HydrophobicContact CD1-CG1 4.13Å; F214-I216 HydrophobicContact CE1-CD1 4.41Å; F214-I216 HydrophobicContact CE1-CG1 3.77Å; F214-L240 HydrophobicContact CB-CB 4.3Å; F214-L240 HydrophobicContact CD1-CD1 4.28Å; F214-L240 PolarHBondContact N-O 2.7Å; F214-L240 WeakPolarHBondContact O-CB 3.28Å; F214-L240 PolarHBondContact O-N 2.88Å |
| 215 | T | 92 | Very high | 80.4 | Confident | 4 Ų | 4 | 38.5 Ų | 38.5 | 3% | 0.025 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 130.9 | -178 | -54.6 | 0 | 0 | 0 | 0 | 110.2 | A137 S138 Y217 K237 L238 N239 | A137-T215 CarbonylContact C-O 3.49Å; A137-T215 WeakPolarHBondContact CA-O 3.32Å; A137-T215 WeakPolarHBondContact CB-O 3.37Å; S138-T215 PolarHBondContact N-O 3.35Å; S138-T215 PolarHBondContact O-N 3.23Å; T215-Y217 HydrophobicContact CG2-CD1 4.39Å; T215-Y217 HydrophobicContact CG2-CD2 3.9Å; T215-Y217 HydrophobicContact CG2-CE1 3.9Å; T215-Y217 HydrophobicContact CG2-CE2 3.36Å; T215-Y217 HydrophobicContact CG2-CG 4.4Å; T215-K237 HydrophobicContact CG2-CD 4.47Å; T215-K237 HydrophobicContact CG2-CG 3.82Å; T215-L238 CarbonylContact C-O 3.49Å; T215-L238 VanDerWaalsContact CA-O 3.28Å; T215-L238 WeakPolarHBondContact CA-O 3.46Å; T215-N239 WeakPolarHBondContact CG2-OD1 3.39Å; T215-N239 PolarHBondContact OG1-OD1 2.66Å |
| 216 | I | 93.1 | Very high | 80.6 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 128.3 | 170.6 | -54 | 172.1 | 0 | 0 | 0 | 107.8 | F118 I121 V135 H136 F214 L218 K237 L238 L240 | F118-I216 HydrophobicContact CD1-CD1 3.99Å; F118-I216 HydrophobicContact CD2-CD1 3.82Å; F118-I216 HydrophobicContact CE1-CD1 3.68Å; F118-I216 HydrophobicContact CE1-CG1 3.98Å; F118-I216 HydrophobicContact CE1-CG2 4.43Å; F118-I216 HydrophobicContact CE2-CD1 3.54Å; F118-I216 HydrophobicContact CE2-CG1 3.99Å; F118-I216 HydrophobicContact CG-CD1 4.09Å; F118-I216 HydrophobicContact CZ-CD1 3.5Å; F118-I216 VanDerWaalsContact CZ-CD1 3.5Å; F118-I216 HydrophobicContact CZ-CG1 3.6Å; I121-I216 HydrophobicContact CD1-CD1 3.89Å; I121-I216 HydrophobicContact CD1-CG2 4.09Å; V135-I216 HydrophobicContact CG1-CG2 3.89Å; H136-I216 WeakPolarHBondContact O-CA 3.46Å; F214-I216 HydrophobicContact CD1-CG1 4.13Å; F214-I216 HydrophobicContact CE1-CD1 4.41Å; F214-I216 HydrophobicContact CE1-CG1 3.77Å; I216-L218 HydrophobicContact CG2-CD2 3.88Å; I216-L218 HydrophobicContact CG2-CG 4.31Å; I216-K237 CarbonylContact O-C 3.49Å; I216-K237 WeakPolarHBondContact O-CA 3.28Å; I216-L238 HydrophobicContact CB-CB 4.28Å; I216-L238 HydrophobicContact CD1-CD2 4.27Å; I216-L238 PolarHBondContact N-O 2.82Å; I216-L238 PolarHBondContact O-N 2.88Å; I216-L240 HydrophobicContact CD1-CD1 3.91Å; I216-L240 HydrophobicContact CG1-CD1 4.39Å |
| 217 | Y | 89.9 | Confident | 79.8 | Confident | 57 Ų | 57 | 43.1 Ų | 43.1 | 22% | 0.224 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 125.2 | 175.5 | -56.5 | -99.5 | 0 | 0 | 0 | 107.9 | V135 H136 S138 M176 T215 K237 | V135-Y217 WeakPolarHBondContact CA-O 3.3Å; H136-Y217 PolarHBondContact N-O 3.17Å; H136-Y217 PolarHBondContact O-N 3.4Å; S138-Y217 WeakPolarHBondContact OG-CE2 3.48Å; M176-Y217 HydrophobicContact CE-CD1 4.25Å; M176-Y217 HydrophobicContact CE-CD2 3.15Å; M176-Y217 HydrophobicContact CE-CE1 4.35Å; M176-Y217 HydrophobicContact CE-CE2 3.26Å; M176-Y217 HydrophobicContact CE-CG 3.67Å; M176-Y217 HydrophobicContact SD-CD2 4.24Å; M176-Y217 HydrophobicContact SD-CE2 3.77Å; T215-Y217 HydrophobicContact CG2-CD1 4.39Å; T215-Y217 HydrophobicContact CG2-CD2 3.9Å; T215-Y217 HydrophobicContact CG2-CE1 3.9Å; T215-Y217 HydrophobicContact CG2-CE2 3.36Å; T215-Y217 HydrophobicContact CG2-CG 4.4Å; Y217-K237 HydrophobicContact CD1-CD 4.44Å; Y217-K237 HydrophobicContact CD1-CG 4.12Å; Y217-K237 HydrophobicContact CE1-CD 4.02Å; Y217-K237 HydrophobicContact CE1-CG 4.06Å |
| 218 | L | 91.3 | Very high | 78.7 | Confident | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 119.4 | 178.1 | -58.2 | -176.6 | 0 | 0 | 0 | 108.5 | V79 T80 I121 V135 I216 M220 A235 G236 | V79-L218 HydrophobicContact CG1-CD1 3.87Å; V79-L218 HydrophobicContact CG1-CG 4.42Å; T80-L218 HydrophobicContact CG2-CD1 4.12Å; I121-L218 HydrophobicContact CD1-CD1 4.24Å; I121-L218 HydrophobicContact CG1-CD1 4.29Å; I121-L218 HydrophobicContact CG2-CD1 4.15Å; I121-L218 HydrophobicContact CG2-CD2 3.78Å; V135-L218 HydrophobicContact CB-CD2 4.19Å; V135-L218 HydrophobicContact CG1-CD2 3.9Å; V135-L218 HydrophobicContact CG2-CD2 3.64Å; I216-L218 HydrophobicContact CG2-CD2 3.88Å; I216-L218 HydrophobicContact CG2-CG 4.31Å; L218-M220 HydrophobicContact CB-CE 4.47Å; L218-A235 CarbonylContact O-C 3.6Å; L218-A235 VanDerWaalsContact O-CA 3.29Å; L218-A235 WeakPolarHBondContact O-CA 3.2Å; L218-G236 PolarHBondContact N-O 2.91Å; L218-G236 PolarHBondContact O-N 2.71Å |
| 219 | E | 88.9 | Confident | 77.4 | Confident | 98 Ų | 98 | 50.3 Ų | 50.3 | 46% | 0.458 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 131.5 | 165 | -66.9 | 173.4 | -171.2 | 0 | 0 | 108.3 | Y133 L134 | Y133-E219 CarbonylContact C-O 3.59Å; Y133-E219 VanDerWaalsContact CA-O 3.3Å; Y133-E219 WeakPolarHBondContact CA-O 3.44Å; L134-E219 HydrophobicContact CB-CB 4.25Å; L134-E219 PolarHBondContact N-O 2.66Å; L134-E219 PolarHBondContact O-N 2.8Å |
| 220 | M | 86.9 | Confident | 76.4 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 133.4 | -173.3 | -72.5 | 163.3 | -72.7 | 0 | 0 | 109.6 | G82 T131 K132 Y133 L218 I233 R234 | G82-M220 VanDerWaalsContact CA-CE 3.4Å; T131-M220 HydrophobicContact CG2-CB 3.93Å; T131-M220 HydrophobicContact CG2-CG 4.2Å; K132-M220 CarbonylContact O-C 3.6Å; K132-M220 WeakPolarHBondContact O-CA 3.48Å; Y133-M220 HydrophobicContact CD1-CG 3.45Å; Y133-M220 VanDerWaalsContact CD1-CG 3.45Å; Y133-M220 HydrophobicContact CD1-SD 4.21Å; Y133-M220 HydrophobicContact CE1-CG 3.48Å; Y133-M220 VanDerWaalsContact CE1-CG 3.48Å; Y133-M220 HydrophobicContact CE1-SD 3.76Å; Y133-M220 HydrophobicContact CG-CG 4.35Å; L218-M220 HydrophobicContact CB-CE 4.47Å; M220-I233 CarbonylContact O-C 3.58Å; M220-I233 WeakPolarHBondContact O-CA 3.48Å; M220-R234 HydrophobicContact CB-CB 4.08Å; M220-R234 HydrophobicContact CE-CB 3.95Å; M220-R234 PolarHBondContact N-O 3.12Å; M220-R234 PolarHBondContact O-N 2.83Å |
| 221 | I | 83.5 | Confident | 75.5 | Confident | 66 Ų | 66 | 55 Ų | 55 | 34% | 0.338 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 108.3 | 177.7 | -54.6 | -176.7 | 0 | 0 | 0 | 107.4 | T131 K132 N231 H232 | T131-I221 CarbonylContact C-O 3.6Å; T131-I221 WeakPolarHBondContact CA-O 3.44Å; K132-I221 HydrophobicContact CB-CB 4.49Å; K132-I221 PolarHBondContact N-O 3.4Å; K132-I221 PolarHBondContact O-N 3.45Å; I221-N231 HydrophobicContact CG2-CB 3.53Å; I221-H232 WeakPolarHBondContact CA-O 3.46Å |
| 222 | D | 81.2 | Confident | 75 | Confident | 27 Ų | 27 | 58 Ų | 58 | 14% | 0.144 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 127.5 | 175.3 | -64.7 | -47 | 0 | 0 | 0 | 110.2 | T131 N231 H232 R234 | T131-D222 WeakPolarHBondContact CB-OD1 3.43Å; T131-D222 VanDerWaalsContact CG2-OD1 3.25Å; T131-D222 WeakPolarHBondContact CG2-OD1 3.35Å; T131-D222 PolarHBondContact OG1-OD1 3.24Å; D222-N231 VanDerWaalsContact O-CA 3.29Å; D222-N231 WeakPolarHBondContact O-CA 3.39Å; D222-N231 PolarHBondContact O-OD1 2.88Å; D222-H232 HydrophobicContact CB-CB 4.36Å; D222-H232 PolarHBondContact N-O 2.97Å; D222-R234 IonicContact OD1-NH2 2.91Å; D222-R234 PolarHBondContact OD1-NH2 3.15Å; D222-R234 IonicContact OD2-CZ 3.77Å; D222-R234 IonicContact OD2-NE 3.86Å; D222-R234 PolarHBondContact OD2-NE 3.48Å; D222-R234 IonicContact OD2-NH2 3.98Å; D222-R234 PolarHBondContact OD2-NH2 3.27Å |
| 223 | R | 70.7 | Confident | 74.6 | Confident | 144 Ų | 144 | 61.2 Ų | 61.2 | 54% | 0.543 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -83 | 129.3 | 168.9 | -64.7 | 179.6 | 173.5 | -165.1 | -5.5 | 109.2 | K130 | K130-R223 VanDerWaalsContact O-CB 3.31Å; K130-R223 WeakPolarHBondContact O-CB 3.25Å; K130-R223 WeakPolarHBondContact O-CG 3.36Å; K130-R223 PolarHBondContact O-N 3.28Å |
| 224 | S | 61.1 | Low | 74.5 | Confident | 39 Ų | 39 | 63.3 Ų | 63.3 | 27% | 0.273 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -84.9 | 149.3 | 167.3 | 71.1 | 0 | 0 | 0 | 0 | 110.2 | N226 D229 | S224-N226 PolarHBondContact OG-O 2.95Å; S224-D229 WeakPolarHBondContact OG-CB 3.07Å; S224-D229 PolarHBondContact OG-O 3.25Å |
| 225 | D | 57.7 | Low | 74.2 | Confident | 129 Ų | 129 | 65.2 Ų | 65.2 | 69% | 0.69 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -75.5 | -17.2 | 175.5 | -66.5 | -34.4 | 0 | 0 | 0 | 111.9 | K130 | K130-D225 IonicContact NZ-OD1 2.77Å; K130-D225 IonicContact NZ-OD2 2.59Å; K130-D225 PolarHBondContact NZ-OD2 3.23Å |
| 226 | N | 55.1 | Low | 74.2 | Confident | 97 Ų | 97 | 65.2 Ų | 65.2 | 52% | 0.519 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -92.7 | 123.4 | 176.1 | -66.2 | -37.7 | 0 | 0 | 0 | 109 | S224 L228 D229 | S224-N226 PolarHBondContact OG-O 2.95Å; N226-L228 PolarHBondContact O-N 3.06Å; N226-D229 HydrophobicContact CB-CB 4.1Å; N226-D229 PolarHBondContact ND2-OD2 3.2Å; N226-D229 PolarHBondContact O-N 3.06Å |
| 227 | S | 50.2 | Low | 74.1 | Confident | 130 Ų | 130 | 67.1 Ų | 67.1 | 91% | 0.909 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -7.6 | 174.1 | 52.9 | 0 | 0 | 0 | 0 | 114.9 | ||
| 228 | L | 49.2 | Very low | 74.3 | Confident | 152 Ų | 152 | 64.4 Ų | 64.4 | 80% | 0.796 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.6 | -12.6 | 176.5 | -67.7 | 165.5 | 0 | 0 | 0 | 113.8 | N226 | N226-L228 PolarHBondContact O-N 3.06Š|
| 229 | D | 51.3 | Low | 74.4 | Confident | 72 Ų | 72 | 64.9 Ų | 64.9 | 39% | 0.385 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -90.3 | 127.1 | 178.5 | -88.1 | -36.9 | 0 | 0 | 0 | 109.3 | S224 N226 | S224-D229 WeakPolarHBondContact OG-CB 3.07Å; S224-D229 PolarHBondContact OG-O 3.25Å; N226-D229 HydrophobicContact CB-CB 4.1Å; N226-D229 PolarHBondContact ND2-OD2 3.2Å; N226-D229 PolarHBondContact O-N 3.06Å |
| 230 | Y | 57.2 | Low | 74.7 | Confident | 44 Ų | 44 | 60.2 Ų | 60.2 | 17% | 0.173 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 152.4 | -177.9 | -52.8 | -90.6 | 0 | 0 | 0 | 112.4 | H232 T422 K425 V426 L429 | Y230-H232 PolarHBondContact O-N 3.44Å; Y230-T422 HydrophobicContact CE2-CG2 3.96Å; Y230-T422 VanDerWaalsContact CZ-O 3.3Å; Y230-T422 PolarHBondContact OH-O 3.36Å; Y230-K425 HydrophobicContact CD1-CB 4.23Å; Y230-K425 HydrophobicContact CD1-CD 3.68Å; Y230-K425 HydrophobicContact CD1-CG 3.86Å; Y230-K425 HydrophobicContact CE1-CB 4.06Å; Y230-K425 HydrophobicContact CE1-CD 4.34Å; Y230-K425 HydrophobicContact CE1-CG 4.2Å; Y230-K425 HydrophobicContact CG-CD 3.81Å; Y230-K425 HydrophobicContact CG-CG 4.48Å; Y230-V426 HydrophobicContact CE1-CB 4.25Å; Y230-V426 HydrophobicContact CE1-CG2 3.35Å; Y230-V426 WeakPolarHBondContact OH-CG2 3.33Å; Y230-L429 HydrophobicContact CD1-CD1 4.15Å |
| 231 | N | 65.5 | Low | 74.9 | Confident | 79 Ų | 79 | 60.3 Ų | 60.3 | 42% | 0.422 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 120.3 | 162.9 | -71.8 | -18.2 | 0 | 0 | 0 | 108.7 | I221 D222 K425 | I221-N231 HydrophobicContact CG2-CB 3.53Å; D222-N231 VanDerWaalsContact O-CA 3.29Å; D222-N231 WeakPolarHBondContact O-CA 3.39Å; D222-N231 PolarHBondContact O-OD1 2.88Å; N231-K425 PolarHBondContact O-NZ 2.9Å |
| 232 | H | 76.3 | Confident | 75.3 | Confident | 73 Ų | 73 | 57.3 Ų | 57.3 | 34% | 0.338 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 125.9 | 171.1 | -68.4 | -63.9 | 0 | 0 | 0 | 108.8 | I221 D222 Y230 D355 | I221-H232 WeakPolarHBondContact CA-O 3.46Å; D222-H232 HydrophobicContact CB-CB 4.36Å; D222-H232 PolarHBondContact N-O 2.97Å; Y230-H232 PolarHBondContact O-N 3.44Å; H232-D355 WeakPolarHBondContact CA-OD2 3.49Å; H232-D355 IonicContact CE1-OD1 2.86Å; H232-D355 IonicContact CG-OD1 3.79Å; H232-D355 IonicContact ND1-OD1 3.86Å; H232-D355 PolarHBondContact ND1-OD1 2.68Å; H232-D355 IonicContact ND1-OD2 2.68Å |
| 233 | I | 81.9 | Confident | 75.7 | Confident | 69 Ų | 69 | 56.2 Ų | 56.2 | 35% | 0.354 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 121.3 | 178.9 | -58.1 | 176.7 | 0 | 0 | 0 | 108.7 | M220 E351 D352 D355 | M220-I233 CarbonylContact O-C 3.58Å; M220-I233 WeakPolarHBondContact O-CA 3.48Å; I233-E351 WeakPolarHBondContact O-CA 3.36Å; I233-D352 HydrophobicContact CB-CB 4.39Å; I233-D352 PolarHBondContact O-N 3.44Å; I233-D352 VanDerWaalsContact O-N 3.08Å; I233-D355 PolarHBondContact N-OD2 3.25Å |
| 234 | R | 88.2 | Confident | 76.4 | Confident | 48 Ų | 48 | 49.4 Ų | 49.4 | 18% | 0.181 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 150.7 | 175.6 | -66.5 | -175.1 | -75.6 | 155.8 | -2.3 | 110.3 | E81 M220 D222 I349 N350 E351 | E81-R234 PolarHBondContact O-NH1 2.97Å; M220-R234 HydrophobicContact CB-CB 4.08Å; M220-R234 HydrophobicContact CE-CB 3.95Å; M220-R234 PolarHBondContact N-O 3.12Å; M220-R234 PolarHBondContact O-N 2.83Å; D222-R234 IonicContact OD1-NH2 2.91Å; D222-R234 PolarHBondContact OD1-NH2 3.15Å; D222-R234 IonicContact OD2-CZ 3.77Å; D222-R234 IonicContact OD2-NE 3.86Å; D222-R234 PolarHBondContact OD2-NE 3.48Å; D222-R234 IonicContact OD2-NH2 3.98Å; D222-R234 PolarHBondContact OD2-NH2 3.27Å; R234-I349 HydrophobicContact CG-CG2 4.29Å; R234-N350 CarbonylContact C-O 3.56Å; R234-N350 VanDerWaalsContact CA-O 3.28Å; R234-N350 WeakPolarHBondContact CA-O 3.49Å; R234-E351 HydrophobicContact CG-CG 3.67Å |
| 235 | A | 87.6 | Confident | 77.6 | Confident | 41 Ų | 41 | 47.7 Ų | 47.7 | 34% | 0.339 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 124.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | G82 L218 N350 | G82-A235 CarbonylContact C-O 3.57Å; G82-A235 WeakPolarHBondContact CA-O 3.38Å; L218-A235 CarbonylContact O-C 3.6Å; L218-A235 VanDerWaalsContact O-CA 3.29Å; L218-A235 WeakPolarHBondContact O-CA 3.2Å; A235-N350 HydrophobicContact CB-CB 4.27Å; A235-N350 PolarHBondContact N-O 3.45Å; A235-N350 WeakPolarHBondContact O-CB 3.41Å; A235-N350 PolarHBondContact O-ND2 3.32Å |
| 236 | G | 91.7 | Very high | 79 | Confident | 4 Ų | 4 | 42.1 Ų | 42.1 | 4% | 0.041 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 142.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y83 L218 | Y83-G236 WeakPolarHBondContact O-CA 3.18Å; L218-G236 PolarHBondContact N-O 2.91Å; L218-G236 PolarHBondContact O-N 2.71Å |
| 237 | K | 90.7 | Very high | 80.4 | Confident | 40 Ų | 40 | 39 Ų | 39 | 17% | 0.174 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 119.1 | 172.7 | -175.9 | -177.6 | -179.9 | 179.6 | 0 | 109.3 | Y83 N84 G85 T215 I216 Y217 D306 | Y83-K237 PolarHBondContact O-N 2.98Å; N84-K237 CarbonylContact C-O 3.55Å; N84-K237 VanDerWaalsContact CA-O 3.3Å; N84-K237 WeakPolarHBondContact CA-O 3.06Å; N84-K237 WeakPolarHBondContact OD1-CB 3.28Å; G85-K237 PolarHBondContact N-O 3.05Å; T215-K237 HydrophobicContact CG2-CD 4.47Å; T215-K237 HydrophobicContact CG2-CG 3.82Å; I216-K237 CarbonylContact O-C 3.49Å; I216-K237 WeakPolarHBondContact O-CA 3.28Å; Y217-K237 HydrophobicContact CD1-CD 4.44Å; Y217-K237 HydrophobicContact CD1-CG 4.12Å; Y217-K237 HydrophobicContact CE1-CD 4.02Å; Y217-K237 HydrophobicContact CE1-CG 4.06Å; K237-D306 IonicContact NZ-OD2 3.05Å; K237-D306 PolarHBondContact NZ-OD2 3.05Å |
| 238 | L | 94.4 | Very high | 81.3 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 112.5 | 177.3 | 176.7 | 56.5 | 0 | 0 | 0 | 110.6 | L75 V76 V79 G85 I87 A117 I121 T215 I216 L240 | L75-L238 HydrophobicContact CD2-CD1 3.77Å; V76-L238 HydrophobicContact CG1-CD2 4.43Å; V76-L238 HydrophobicContact CG2-CD2 3.98Å; V79-L238 HydrophobicContact CB-CB 4.46Å; V79-L238 HydrophobicContact CG1-CB 3.9Å; V79-L238 HydrophobicContact CG2-CB 4.04Å; V79-L238 HydrophobicContact CG2-CD1 4.24Å; G85-L238 CarbonylContact O-C 3.6Å; G85-L238 VanDerWaalsContact O-CA 3.28Å; G85-L238 WeakPolarHBondContact O-CA 3.29Å; I87-L238 HydrophobicContact CG1-CD1 4.41Å; A117-L238 HydrophobicContact CB-CD2 3.98Å; I121-L238 HydrophobicContact CD1-CD2 4.37Å; T215-L238 CarbonylContact C-O 3.49Å; T215-L238 VanDerWaalsContact CA-O 3.28Å; T215-L238 WeakPolarHBondContact CA-O 3.46Å; I216-L238 HydrophobicContact CB-CB 4.28Å; I216-L238 HydrophobicContact CD1-CD2 4.27Å; I216-L238 PolarHBondContact N-O 2.82Å; I216-L238 PolarHBondContact O-N 2.88Å; L238-L240 HydrophobicContact CD1-CD2 4.27Å; L238-L240 HydrophobicContact CD1-CG 4.37Å; L238-L240 HydrophobicContact CD2-CD1 4.12Å; L238-L240 HydrophobicContact CD2-CD2 4.29Å; L238-L240 HydrophobicContact CD2-CG 4.28Å; L238-L240 HydrophobicContact CG-CD1 4.17Å; L238-L240 HydrophobicContact CG-CD2 4.24Å; L238-L240 HydrophobicContact CG-CG 3.95Å |
| 239 | N | 93.1 | Very high | 82.1 | Confident | 10 Ų | 10 | 33.9 Ų | 33.9 | 5% | 0.053 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 123.1 | 171.7 | -57.9 | -61.8 | 0 | 0 | 0 | 110.2 | G85 T86 I87 T215 V241 | G85-N239 PolarHBondContact O-N 2.92Å; T86-N239 CarbonylContact C-O 3.34Å; T86-N239 WeakPolarHBondContact CA-O 3.39Å; T86-N239 HydrophobicContact CG2-CB 4.13Å; T86-N239 PolarHBondContact OG1-ND2 3.45Å; I87-N239 PolarHBondContact N-O 3.46Å; T215-N239 WeakPolarHBondContact CG2-OD1 3.39Å; T215-N239 PolarHBondContact OG1-OD1 2.66Å; N239-V241 HydrophobicContact CB-CG2 4.3Å |
| 240 | L | 94.5 | Very high | 82.6 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 105.6 | 178.6 | -63.5 | 154.3 | 0 | 0 | 0 | 108 | I87 M101 V113 I114 A117 F214 I216 L238 | I87-L240 HydrophobicContact CB-CD2 4.16Å; I87-L240 HydrophobicContact CD1-CD2 4.07Å; I87-L240 HydrophobicContact CG1-CD2 4.43Å; I87-L240 WeakPolarHBondContact O-CA 3.23Å; M101-L240 HydrophobicContact CE-CB 3.8Å; M101-L240 HydrophobicContact CE-CD2 4.05Å; V113-L240 HydrophobicContact CG1-CD2 4.01Å; I114-L240 HydrophobicContact CB-CD1 4.3Å; I114-L240 HydrophobicContact CD1-CB 4.3Å; I114-L240 HydrophobicContact CG1-CB 3.72Å; I114-L240 HydrophobicContact CG1-CD1 3.95Å; I114-L240 HydrophobicContact CG1-CD2 4.36Å; I114-L240 HydrophobicContact CG1-CG 4.21Å; I114-L240 HydrophobicContact CG2-CD1 4.21Å; A117-L240 HydrophobicContact CB-CD1 4.32Å; F214-L240 HydrophobicContact CB-CB 4.3Å; F214-L240 HydrophobicContact CD1-CD1 4.28Å; F214-L240 PolarHBondContact N-O 2.7Å; F214-L240 WeakPolarHBondContact O-CB 3.28Å; F214-L240 PolarHBondContact O-N 2.88Å; I216-L240 HydrophobicContact CD1-CD1 3.91Å; I216-L240 HydrophobicContact CG1-CD1 4.39Å; L238-L240 HydrophobicContact CD1-CD2 4.27Å; L238-L240 HydrophobicContact CD1-CG 4.37Å; L238-L240 HydrophobicContact CD2-CD1 4.12Å; L238-L240 HydrophobicContact CD2-CD2 4.29Å; L238-L240 HydrophobicContact CD2-CG 4.28Å; L238-L240 HydrophobicContact CG-CD1 4.17Å; L238-L240 HydrophobicContact CG-CD2 4.24Å; L238-L240 HydrophobicContact CG-CG 3.95Å |
| 241 | V | 92.3 | Very high | 82.8 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.006 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 127.6 | -165.9 | -172.4 | 0 | 0 | 0 | 0 | 111.6 | T86 I87 F88 A89 S212 I213 N239 L243 L303 | T86-V241 HydrophobicContact CG2-CG2 4.38Å; I87-V241 PolarHBondContact O-N 3.19Å; F88-V241 CarbonylContact C-O 3.56Å; F88-V241 VanDerWaalsContact CA-O 3.31Å; F88-V241 WeakPolarHBondContact CA-O 3.23Å; F88-V241 HydrophobicContact CB-CB 3.7Å; F88-V241 HydrophobicContact CB-CG1 4.34Å; F88-V241 HydrophobicContact CB-CG2 4.36Å; A89-V241 PolarHBondContact N-O 3.16Å; S212-V241 WeakPolarHBondContact O-CA 3.48Å; I213-V241 HydrophobicContact CG1-CG1 4.02Å; I213-V241 HydrophobicContact CG1-CG2 4.15Å; I213-V241 HydrophobicContact CG2-CG2 4.25Å; N239-V241 HydrophobicContact CB-CG2 4.3Å; V241-L243 HydrophobicContact CG1-CD2 3.54Å; V241-L243 HydrophobicContact CG1-CG 3.97Å; V241-L303 HydrophobicContact CG1-CD2 3.83Å; V241-L303 HydrophobicContact CG2-CD2 4.07Å |
| 242 | D | 91.1 | Very high | 82.8 | Confident | 4 Ų | 4 | 38 Ų | 38 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 103.4 | 166.9 | 178.3 | 24.8 | 0 | 0 | 0 | 107.7 | K97 S98 M101 R196 H211 S212 | K97-D242 VanDerWaalsContact CB-OD1 3.24Å; K97-D242 WeakPolarHBondContact CB-OD1 3.19Å; S98-D242 PolarHBondContact OG-OD2 2.92Å; M101-D242 HydrophobicContact CG-CB 4.32Å; R196-D242 IonicContact CZ-OD2 3.68Å; R196-D242 IonicContact NH1-OD2 2.89Å; R196-D242 PolarHBondContact NH1-OD2 3.04Å; R196-D242 IonicContact NH2-OD2 2.67Å; R196-D242 PolarHBondContact NH2-OD2 2.88Å; H211-D242 WeakPolarHBondContact CA-O 3.25Å; S212-D242 PolarHBondContact N-O 2.9Å; S212-D242 PolarHBondContact O-N 3.01Å |
| 243 | L | 89.3 | Confident | 82.2 | Confident | 4 Ų | 4 | 37.6 Ų | 37.6 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | P | Polyproline II helix | trans | -76.2 | 158.7 | -175.9 | -63.9 | 173.2 | 0 | 0 | 0 | 111.4 | F88 A89 Y90 K97 H211 V241 L272 L303 | F88-L243 HydrophobicContact CD2-CD1 3.76Å; F88-L243 HydrophobicContact CE2-CD1 4.43Å; A89-L243 WeakPolarHBondContact O-CB 3.45Å; A89-L243 PolarHBondContact O-N 2.98Å; Y90-L243 HydrophobicContact CD2-CD1 3.78Å; Y90-L243 HydrophobicContact CG-CD1 4.47Å; K97-L243 WeakPolarHBondContact CE-O 3.39Å; H211-L243 WeakPolarHBondContact ND1-CA 3.36Å; H211-L243 VanDerWaalsContact ND1-CD2 3.31Å; H211-L243 WeakPolarHBondContact ND1-CD2 3.48Å; V241-L243 HydrophobicContact CG1-CD2 3.54Å; V241-L243 HydrophobicContact CG1-CG 3.97Å; L243-L272 HydrophobicContact CD1-CD2 4.13Å; L243-L303 HydrophobicContact CD2-CD1 3.73Å |
| 244 | A | 85.8 | Confident | 81.4 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | P | Polyproline II helix | trans | -58.2 | 159 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | S208 H211 S246 I265 L269 | S208-A244 CarbonylContact O-C 3.59Å; S208-A244 VanDerWaalsContact O-CA 3.26Å; S208-A244 WeakPolarHBondContact O-CA 3.25Å; S208-A244 WeakPolarHBondContact O-CB 3.45Å; H211-A244 PolarHBondContact CE1-N 2.7Å; H211-A244 PolarHBondContact ND1-N 2.88Å; A244-S246 PolarHBondContact O-N 3.32Å; A244-I265 HydrophobicContact CB-CG2 3.71Å; A244-L269 HydrophobicContact CB-CD1 4.44Å |
| 245 | G | 87.5 | Confident | 80.7 | Confident | 3 Ų | 3 | 38.6 Ų | 38.6 | 3% | 0.031 | 22% | 0.224 | C | C | . | . | P | Polyproline II helix | trans | -57.1 | 131.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | S208 E247 L269 | S208-G245 PolarHBondContact O-N 3.1Å; G245-E247 VanDerWaalsContact C-N 3.34Å; G245-E247 VanDerWaalsContact C-OE2 3.24Å; G245-E247 VanDerWaalsContact CA-OE2 3.26Å; G245-E247 WeakPolarHBondContact CA-OE2 3.3Å; G245-L269 VanDerWaalsContact O-CD1 3.26Å; G245-L269 WeakPolarHBondContact O-CD1 3.44Å |
| 246 | S | 86.6 | Confident | 80.3 | Confident | 13 Ų | 13 | 39.1 Ų | 39.1 | 9% | 0.091 | 23% | 0.234 | C | C | . | . | trans | -86.8 | 1.7 | -178.8 | 68.8 | 0 | 0 | 0 | 0 | 115 | Y90 G91 Q92 A244 | Y90-S246 VanDerWaalsContact CZ-CB 3.49Å; Y90-S246 WeakPolarHBondContact OH-CB 3.43Å; G91-S246 WeakPolarHBondContact CA-OG 3.43Å; G91-S246 PolarHBondContact O-N 2.96Å; G91-S246 VanDerWaalsContact O-N 3.16Å; Q92-S246 PolarHBondContact N-OG 3.41Å; A244-S246 PolarHBondContact O-N 3.32Å | ||
| 247 | E | 83 | Confident | 79.4 | Confident | 30 Ų | 30 | 44.6 Ų | 44.6 | 14% | 0.14 | 26% | 0.262 | C | S | . | . | trans | -68.6 | 152.6 | -175.2 | 66.3 | -81.3 | -169.4 | 0 | 0 | 113.7 | Q92 T93 G245 N266 E329 | Q92-E247 WeakPolarHBondContact CA-OE2 3.44Å; Q92-E247 HydrophobicContact CB-CB 4.08Å; T93-E247 WeakPolarHBondContact CB-OE1 3.21Å; T93-E247 PolarHBondContact N-OE2 3.19Å; T93-E247 VanDerWaalsContact OG1-CD 3.3Å; T93-E247 PolarHBondContact OG1-OE1 3.44Å; T93-E247 PolarHBondContact OG1-OE2 3.24Å; G245-E247 VanDerWaalsContact C-N 3.34Å; G245-E247 VanDerWaalsContact C-OE2 3.24Å; G245-E247 VanDerWaalsContact CA-OE2 3.26Å; G245-E247 WeakPolarHBondContact CA-OE2 3.3Å; E247-N266 PolarHBondContact O-ND2 3.18Å; E247-N266 PolarHBondContact O-OD1 3.29Å; E247-E329 WeakPolarHBondContact CA-OE2 3.37Å; E247-E329 HydrophobicContact CB-CG 3.99Å | ||
| 248 | R | 69.7 | Low | 78.4 | Confident | 152 Ų | 152 | 47.6 Ų | 47.6 | 57% | 0.574 | 27% | 0.272 | S | S | * | . | trans | -75.7 | 134.6 | 179.2 | -63.5 | -180 | -176.5 | -179.1 | 0.2 | 111.4 | T250 K251 E329 | R248-T250 PolarHBondContact O-N 2.87Å; R248-T250 VanDerWaalsContact O-N 3.11Å; R248-K251 WeakPolarHBondContact O-CB 3.48Å; R248-K251 PolarHBondContact O-N 2.93Å; R248-E329 PolarHBondContact N-OE1 2.85Å | ||
| 249 | Q | 65.4 | Low | 77.3 | Confident | 24 Ų | 24 | 52.6 Ų | 52.6 | 11% | 0.112 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -60.7 | -24.7 | -178.8 | -59.8 | -47.5 | -38 | 0 | 0 | 114.8 | K251 T252 A262 N266 | Q249-K251 PolarHBondContact O-N 3.33Å; Q249-T252 PolarHBondContact O-N 2.8Å; Q249-T252 PolarHBondContact O-OG1 2.98Å; Q249-T252 PolarHBondContact OE1-OG1 2.92Å; Q249-A262 HydrophobicContact CG-CB 3.62Å; Q249-A262 WeakPolarHBondContact CG-O 3.09Å; Q249-A262 PolarHBondContact NE2-O 3.49Å; Q249-N266 PolarHBondContact NE2-ND2 3.44Å; Q249-N266 PolarHBondContact NE2-OD1 2.83Å |
| 250 | T | 63.8 | Low | 76.5 | Confident | 127 Ų | 127 | 58.3 Ų | 58.3 | 78% | 0.779 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -57.4 | -21 | 173.7 | 52.9 | 0 | 0 | 0 | 0 | 112.8 | R248 | R248-T250 PolarHBondContact O-N 2.87Å; R248-T250 VanDerWaalsContact O-N 3.11Å |
| 251 | K | 61.2 | Low | 75.4 | Confident | 95 Ų | 95 | 59 Ų | 59 | 41% | 0.413 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -85.1 | -23.6 | 174.6 | -69 | -166.6 | 174.9 | -170 | 0 | 114.2 | R248 Q249 G253 N325 E329 | R248-K251 WeakPolarHBondContact O-CB 3.48Å; R248-K251 PolarHBondContact O-N 2.93Å; Q249-K251 PolarHBondContact O-N 3.33Å; K251-G253 VanDerWaalsContact C-N 3.33Å; K251-N325 PolarHBondContact NZ-O 3.14Å; K251-E329 HydrophobicContact CD-CG 4.33Å |
| 252 | T | 64.6 | Low | 74.1 | Confident | 59 Ų | 59 | 59 Ų | 59 | 36% | 0.362 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -18.6 | -175 | 65.9 | 0 | 0 | 0 | 0 | 112.7 | Q249 A254 | Q249-T252 PolarHBondContact O-N 2.8Å; Q249-T252 PolarHBondContact O-OG1 2.98Å; Q249-T252 PolarHBondContact OE1-OG1 2.92Å; T252-A254 PolarHBondContact O-N 2.86Å; T252-A254 WeakPolarHBondContact OG1-CB 3.5Å; T252-A254 PolarHBondContact OG1-N 2.8Å |
| 253 | G | 63.9 | Low | 73.1 | Confident | 64 Ų | 64 | 61.8 Ų | 61.8 | 66% | 0.66 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.4 | 13.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | K251 | K251-G253 VanDerWaalsContact C-N 3.33Š|
| 254 | A | 65 | Low | 72.2 | Confident | 18 Ų | 18 | 66 Ų | 66 | 15% | 0.149 | 36% | 0.358 | C | S | . | . | trans | -67.9 | 132 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | T252 R258 | T252-A254 PolarHBondContact O-N 2.86Å; T252-A254 WeakPolarHBondContact OG1-CB 3.5Å; T252-A254 PolarHBondContact OG1-N 2.8Å; A254-R258 HydrophobicContact CB-CB 3.85Å | ||
| 255 | T | 73 | Confident | 71.4 | Confident | 120 Ų | 120 | 66.3 Ų | 66.3 | 74% | 0.736 | 36% | 0.359 | S | S | * | . | trans | -117.9 | 164.1 | 174.6 | 57.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 256 | G | 79.3 | Confident | 70.5 | Confident | 53 Ų | 53 | 67.7 Ų | 67.7 | 55% | 0.546 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.4 | -135.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | R258 F259 K260 | G256-R258 VanDerWaalsContact C-N 3.29Å; G256-R258 PolarHBondContact O-N 2.86Å; G256-F259 VanDerWaalsContact O-CB 3.3Å; G256-F259 WeakPolarHBondContact O-CB 3.33Å; G256-F259 PolarHBondContact O-N 3.34Å; G256-F259 VanDerWaalsContact O-N 3.07Å; G256-K260 PolarHBondContact O-N 2.68Å |
| 257 | D | 74 | Confident | 69.6 | Low | 119 Ų | 119 | 71.1 Ų | 71.1 | 64% | 0.636 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -67 | -29.4 | -176.4 | -66 | -37.4 | 0 | 0 | 0 | 113.1 | F259 K260 E261 | D257-F259 PolarHBondContact O-N 2.94Å; D257-K260 PolarHBondContact O-N 2.98Å; D257-K260 VanDerWaalsContact O-N 3.14Å; D257-K260 IonicContact OD1-NZ 3.94Å; D257-K260 PolarHBondContact OD1-NZ 2.81Å; D257-E261 WeakPolarHBondContact O-CB 3.47Å; D257-E261 PolarHBondContact O-N 2.84Å |
| 258 | R | 68.4 | Low | 69 | Low | 102 Ų | 102 | 69.8 Ų | 69.8 | 39% | 0.385 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64 | -30.5 | 172.9 | -61.3 | -164.9 | 85.3 | 167.1 | 4.3 | 111.9 | A254 G256 A262 | A254-R258 HydrophobicContact CB-CB 3.85Å; G256-R258 VanDerWaalsContact C-N 3.29Å; G256-R258 PolarHBondContact O-N 2.86Å; R258-A262 WeakPolarHBondContact O-CB 3.31Å; R258-A262 PolarHBondContact O-N 2.76Å; R258-A262 VanDerWaalsContact O-N 3.08Å |
| 259 | F | 72 | Confident | 68.9 | Low | 105 Ų | 105 | 63 Ų | 63 | 46% | 0.461 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -69.8 | -42.4 | 173.8 | -176.2 | -98.2 | 0 | 0 | 0 | 111.4 | G256 D257 T263 | G256-F259 VanDerWaalsContact O-CB 3.3Å; G256-F259 WeakPolarHBondContact O-CB 3.33Å; G256-F259 PolarHBondContact O-N 3.34Å; G256-F259 VanDerWaalsContact O-N 3.07Å; D257-F259 PolarHBondContact O-N 2.94Å; F259-T263 WeakPolarHBondContact O-CB 3.26Å; F259-T263 PolarHBondContact O-N 2.94Å; F259-T263 PolarHBondContact O-OG1 3.27Å |
| 260 | K | 75.4 | Confident | 68.7 | Low | 131 Ų | 131 | 64.8 Ų | 64.8 | 57% | 0.57 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -64.5 | -46.9 | 177.2 | -66.1 | 177.1 | -174.2 | 160 | 0 | 112.1 | G256 D257 T263 K264 | G256-K260 PolarHBondContact O-N 2.68Å; D257-K260 PolarHBondContact O-N 2.98Å; D257-K260 VanDerWaalsContact O-N 3.14Å; D257-K260 IonicContact OD1-NZ 3.94Å; D257-K260 PolarHBondContact OD1-NZ 2.81Å; K260-T263 WeakPolarHBondContact O-CB 3.47Å; K260-T263 PolarHBondContact O-N 2.89Å; K260-K264 PolarHBondContact O-N 2.86Å; K260-K264 VanDerWaalsContact O-N 3.1Å |
| 261 | E | 71.2 | Confident | 68.6 | Low | 16 Ų | 16 | 58.9 Ų | 58.9 | 8% | 0.075 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -56.4 | -52 | 176 | 177.7 | -159 | 159.3 | 0 | 0 | 110.8 | Y143 R209 D257 T263 K264 I265 | Y143-E261 VanDerWaalsContact CE2-OE1 3.32Å; Y143-E261 WeakPolarHBondContact CE2-OE1 3.33Å; Y143-E261 VanDerWaalsContact CZ-OE1 3.31Å; Y143-E261 PolarHBondContact OH-OE1 2.82Å; R209-E261 WeakPolarHBondContact CD-OE1 3.13Å; R209-E261 IonicContact CZ-OE1 2.9Å; R209-E261 IonicContact CZ-OE2 3.74Å; R209-E261 IonicContact NE-OE1 3.42Å; R209-E261 IonicContact NH1-OE1 3.28Å; R209-E261 PolarHBondContact NH1-OE1 3.4Å; R209-E261 IonicContact NH1-OE2 3.76Å; R209-E261 PolarHBondContact NH1-OE2 2.83Å; D257-E261 WeakPolarHBondContact O-CB 3.47Å; D257-E261 PolarHBondContact O-N 2.84Å; E261-T263 VanDerWaalsContact C-N 3.26Å; E261-T263 PolarHBondContact O-N 2.81Å; E261-K264 WeakPolarHBondContact O-CB 3.45Å; E261-K264 PolarHBondContact O-N 2.99Å; E261-I265 HydrophobicContact CG-CD1 4.24Å; E261-I265 PolarHBondContact O-N 3.26Å; E261-I265 VanDerWaalsContact O-N 3.08Å |
| 262 | A | 66.1 | Low | 68.8 | Low | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -73.7 | -22.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q249 R258 N266 | Q249-A262 HydrophobicContact CG-CB 3.62Å; Q249-A262 WeakPolarHBondContact CG-O 3.09Å; Q249-A262 PolarHBondContact NE2-O 3.49Å; R258-A262 WeakPolarHBondContact O-CB 3.31Å; R258-A262 PolarHBondContact O-N 2.76Å; R258-A262 VanDerWaalsContact O-N 3.08Å; A262-N266 PolarHBondContact O-N 3.07Å; A262-N266 VanDerWaalsContact O-N 3.08Å |
| 263 | T | 69.6 | Low | 68.4 | Low | 62 Ų | 62 | 52.1 Ų | 52.1 | 38% | 0.38 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.7 | -45 | 165.3 | -60.5 | 0 | 0 | 0 | 0 | 111.1 | F259 K260 E261 N266 L267 | F259-T263 WeakPolarHBondContact O-CB 3.26Å; F259-T263 PolarHBondContact O-N 2.94Å; F259-T263 PolarHBondContact O-OG1 3.27Å; K260-T263 WeakPolarHBondContact O-CB 3.47Å; K260-T263 PolarHBondContact O-N 2.89Å; E261-T263 VanDerWaalsContact C-N 3.26Å; E261-T263 PolarHBondContact O-N 2.81Å; T263-N266 PolarHBondContact O-N 3.22Å; T263-L267 VanDerWaalsContact O-CB 3.23Å; T263-L267 WeakPolarHBondContact O-CB 3.17Å; T263-L267 PolarHBondContact O-N 2.95Å |
| 264 | K | 71.1 | Confident | 68.1 | Low | 94 Ų | 94 | 52.6 Ų | 52.6 | 41% | 0.409 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.6 | -42.2 | 177.6 | -72.4 | 175.8 | 169.1 | -168.2 | 0 | 112.6 | N144 K260 E261 L267 S268 | N144-K264 WeakPolarHBondContact OD1-CD 3.22Å; N144-K264 PolarHBondContact OD1-NZ 3.06Å; K260-K264 PolarHBondContact O-N 2.86Å; K260-K264 VanDerWaalsContact O-N 3.1Å; E261-K264 WeakPolarHBondContact O-CB 3.45Å; E261-K264 PolarHBondContact O-N 2.99Å; K264-L267 WeakPolarHBondContact O-CB 3.45Å; K264-L267 PolarHBondContact O-N 2.89Å; K264-L267 VanDerWaalsContact O-N 3.1Å; K264-S268 PolarHBondContact O-N 3.33Å |
| 265 | I | 69.6 | Low | 67.9 | Low | 6 Ų | 6 | 52 Ų | 52 | 3% | 0.031 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.7 | -47.2 | 176.2 | -63.7 | 163.1 | 0 | 0 | 0 | 110.9 | R209 A244 E261 L267 S268 L269 | R209-I265 HydrophobicContact CB-CD1 3.49Å; R209-I265 VanDerWaalsContact CB-CD1 3.49Å; R209-I265 HydrophobicContact CG-CD1 3.85Å; R209-I265 VanDerWaalsContact O-CD1 3.31Å; R209-I265 WeakPolarHBondContact O-CD1 3.4Å; A244-I265 HydrophobicContact CB-CG2 3.71Å; E261-I265 HydrophobicContact CG-CD1 4.24Å; E261-I265 PolarHBondContact O-N 3.26Å; E261-I265 VanDerWaalsContact O-N 3.08Å; I265-L267 PolarHBondContact O-N 3.34Å; I265-S268 PolarHBondContact O-N 3.1Å; I265-S268 PolarHBondContact O-OG 3.4Å; I265-L269 HydrophobicContact CG2-CD1 4.43Å; I265-L269 PolarHBondContact O-N 3.34Å; I265-L269 VanDerWaalsContact O-N 3.08Å |
| 266 | N | 68 | Low | 67.3 | Low | 31 Ų | 31 | 46.2 Ų | 46.2 | 17% | 0.166 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67 | -27.9 | 177.3 | -77.4 | 19.9 | 0 | 0 | 0 | 111.7 | E247 Q249 A262 T263 S270 | E247-N266 PolarHBondContact O-ND2 3.18Å; E247-N266 PolarHBondContact O-OD1 3.29Å; Q249-N266 PolarHBondContact NE2-ND2 3.44Å; Q249-N266 PolarHBondContact NE2-OD1 2.83Å; A262-N266 PolarHBondContact O-N 3.07Å; A262-N266 VanDerWaalsContact O-N 3.08Å; T263-N266 PolarHBondContact O-N 3.22Å; N266-S270 WeakPolarHBondContact O-CB 3.43Å; N266-S270 PolarHBondContact O-N 2.78Å; N266-S270 PolarHBondContact O-OG 3.32Å |
| 267 | L | 67.6 | Low | 66 | Low | 85 Ų | 85 | 45.6 Ų | 45.6 | 45% | 0.445 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -75.5 | -38.8 | 178.9 | -163.9 | 55.9 | 0 | 0 | 0 | 111.8 | T263 K264 I265 S270 A271 F297 | T263-L267 VanDerWaalsContact O-CB 3.23Å; T263-L267 WeakPolarHBondContact O-CB 3.17Å; T263-L267 PolarHBondContact O-N 2.95Å; K264-L267 WeakPolarHBondContact O-CB 3.45Å; K264-L267 PolarHBondContact O-N 2.89Å; K264-L267 VanDerWaalsContact O-N 3.1Å; I265-L267 PolarHBondContact O-N 3.34Å; L267-S270 PolarHBondContact O-N 2.52Å; L267-A271 VanDerWaalsContact O-CB 3.23Å; L267-A271 WeakPolarHBondContact O-CB 3Å; L267-A271 PolarHBondContact O-N 2.86Å; L267-F297 HydrophobicContact CB-CE1 4.2Å; L267-F297 HydrophobicContact CB-CE2 4.48Å; L267-F297 HydrophobicContact CB-CZ 3.8Å; L267-F297 HydrophobicContact CD1-CE2 4.48Å; L267-F297 HydrophobicContact CD1-CZ 4.47Å; L267-F297 HydrophobicContact CD2-CE1 4.31Å; L267-F297 HydrophobicContact CD2-CE2 3.96Å; L267-F297 HydrophobicContact CD2-CZ 3.33Å; L267-F297 HydrophobicContact CG-CE1 4.1Å; L267-F297 HydrophobicContact CG-CE2 3.6Å; L267-F297 HydrophobicContact CG-CZ 3.21Å |
| 268 | S | 69.6 | Low | 65 | Low | 3 Ų | 3 | 40.2 Ų | 40.2 | 2% | 0.021 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.4 | -41.5 | 172.1 | 72.5 | 0 | 0 | 0 | 0 | 111.6 | E145 K264 I265 A271 L272 L300 | E145-S268 WeakPolarHBondContact OE1-CB 3.44Å; K264-S268 PolarHBondContact O-N 3.33Å; I265-S268 PolarHBondContact O-N 3.1Å; I265-S268 PolarHBondContact O-OG 3.4Å; S268-A271 WeakPolarHBondContact O-CB 3.37Å; S268-A271 PolarHBondContact O-N 2.94Å; S268-L272 PolarHBondContact O-N 2.89Å; S268-L300 WeakPolarHBondContact O-CD2 3.38Å |
| 269 | L | 68.1 | Low | 64.5 | Low | 8 Ų | 8 | 38 Ų | 38 | 4% | 0.042 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.8 | -38 | 172.6 | -75.2 | 176.9 | 0 | 0 | 0 | 113 | Y90 A244 G245 I265 A271 L272 G273 | Y90-L269 HydrophobicContact CE2-CD2 4.14Å; A244-L269 HydrophobicContact CB-CD1 4.44Å; G245-L269 VanDerWaalsContact O-CD1 3.26Å; G245-L269 WeakPolarHBondContact O-CD1 3.44Å; I265-L269 HydrophobicContact CG2-CD1 4.43Å; I265-L269 PolarHBondContact O-N 3.34Å; I265-L269 VanDerWaalsContact O-N 3.08Å; L269-A271 VanDerWaalsContact C-N 3.34Å; L269-L272 WeakPolarHBondContact O-CB 3.42Å; L269-L272 PolarHBondContact O-N 2.74Å; L269-G273 PolarHBondContact O-N 3Å |
| 270 | S | 61.6 | Low | 63.9 | Low | 62 Ų | 62 | 36.1 Ų | 36.1 | 43% | 0.434 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -66.7 | -37.9 | 174 | -64.1 | 0 | 0 | 0 | 0 | 111.1 | N266 L267 L272 G273 N274 | N266-S270 WeakPolarHBondContact O-CB 3.43Å; N266-S270 PolarHBondContact O-N 2.78Å; N266-S270 PolarHBondContact O-OG 3.32Å; L267-S270 PolarHBondContact O-N 2.52Å; S270-L272 VanDerWaalsContact C-N 3.34Å; S270-G273 CarbonylContact O-C 3.56Å; S270-G273 PolarHBondContact O-N 3.1Å; S270-N274 WeakPolarHBondContact O-CB 3.18Å; S270-N274 PolarHBondContact O-N 2.81Å; S270-N274 PolarHBondContact O-OD1 2.93Å |
| 271 | A | 60.8 | Low | 62.9 | Low | 4 Ų | 4 | 33.9 Ų | 33.9 | 3% | 0.033 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.3 | -39.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L267 S268 L269 N274 V275 I293 F297 L300 | L267-A271 VanDerWaalsContact O-CB 3.23Å; L267-A271 WeakPolarHBondContact O-CB 3Å; L267-A271 PolarHBondContact O-N 2.86Å; S268-A271 WeakPolarHBondContact O-CB 3.37Å; S268-A271 PolarHBondContact O-N 2.94Å; L269-A271 VanDerWaalsContact C-N 3.34Å; A271-N274 PolarHBondContact O-N 3.49Å; A271-V275 PolarHBondContact O-N 3.4Å; A271-I293 HydrophobicContact CB-CG2 3.51Å; A271-F297 HydrophobicContact CB-CD2 3.78Å; A271-F297 HydrophobicContact CB-CE2 4.45Å; A271-F297 HydrophobicContact CB-CG 4.24Å; A271-L300 HydrophobicContact CB-CD2 3.53Å |
| 272 | L | 65.1 | Low | 61.9 | Low | 6 Ų | 6 | 40 Ų | 40 | 3% | 0.031 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.9 | -47.1 | 171.8 | -171.7 | 68.6 | 0 | 0 | 0 | 110.3 | L243 S268 L269 S270 N274 V275 I276 L300 K304 L308 Y336 | L243-L272 HydrophobicContact CD1-CD2 4.13Å; S268-L272 PolarHBondContact O-N 2.89Å; L269-L272 WeakPolarHBondContact O-CB 3.42Å; L269-L272 PolarHBondContact O-N 2.74Å; S270-L272 VanDerWaalsContact C-N 3.34Å; L272-N274 VanDerWaalsContact C-N 3.3Å; L272-N274 PolarHBondContact O-N 3.4Å; L272-V275 PolarHBondContact O-N 2.77Å; L272-V275 VanDerWaalsContact O-N 3.12Å; L272-I276 WeakPolarHBondContact O-CG1 3.47Å; L272-I276 PolarHBondContact O-N 3.31Å; L272-L300 HydrophobicContact CB-CD1 4.49Å; L272-L300 HydrophobicContact CB-CD2 4.21Å; L272-K304 HydrophobicContact CD1-CG 4.41Å; L272-L308 HydrophobicContact CD1-CD1 3.78Å; L272-Y336 WeakPolarHBondContact CD2-OH 3.05Å; L272-Y336 VanDerWaalsContact CG-OH 3.29Å; L272-Y336 WeakPolarHBondContact CG-OH 3.32Å |
| 273 | G | 57.5 | Low | 61.3 | Low | 5 Ų | 5 | 44.8 Ų | 44.8 | 5% | 0.052 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63 | -32.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | L269 S270 I276 S277 Y336 R339 | L269-G273 PolarHBondContact O-N 3Å; S270-G273 CarbonylContact O-C 3.56Å; S270-G273 PolarHBondContact O-N 3.1Å; G273-I276 PolarHBondContact O-N 3.02Å; G273-S277 PolarHBondContact O-N 3.44Å; G273-Y336 VanDerWaalsContact CA-CE2 3.41Å; G273-R339 PolarHBondContact O-NH1 2.88Å |
| 274 | N | 58.1 | Low | 60.4 | Low | 75 Ų | 75 | 48 Ų | 48 | 40% | 0.401 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -70.3 | -38.4 | 173.4 | -73.2 | -14 | 0 | 0 | 0 | 110.8 | S270 A271 L272 S277 A278 I293 | S270-N274 WeakPolarHBondContact O-CB 3.18Å; S270-N274 PolarHBondContact O-N 2.81Å; S270-N274 PolarHBondContact O-OD1 2.93Å; A271-N274 PolarHBondContact O-N 3.49Å; L272-N274 VanDerWaalsContact C-N 3.3Å; L272-N274 PolarHBondContact O-N 3.4Å; N274-S277 CarbonylContact O-C 3.56Å; N274-S277 PolarHBondContact O-N 2.91Å; N274-A278 VanDerWaalsContact O-CB 3.28Å; N274-A278 WeakPolarHBondContact O-CB 3.39Å; N274-A278 PolarHBondContact O-N 2.75Å; N274-I293 HydrophobicContact CB-CD1 3.65Å |
| 275 | V | 60.5 | Low | 59.4 | Low | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.024 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -67 | -39.2 | 172.3 | 162.2 | 0 | 0 | 0 | 0 | 112.3 | A271 L272 S277 A278 L279 I293 K304 | A271-V275 PolarHBondContact O-N 3.4Å; L272-V275 PolarHBondContact O-N 2.77Å; L272-V275 VanDerWaalsContact O-N 3.12Å; V275-S277 VanDerWaalsContact C-N 3.28Å; V275-S277 PolarHBondContact O-N 3.5Å; V275-A278 PolarHBondContact O-N 2.79Å; V275-L279 HydrophobicContact CG1-CD1 3.55Å; V275-L279 HydrophobicContact CG1-CG 3.97Å; V275-L279 VanDerWaalsContact O-CB 3.31Å; V275-L279 WeakPolarHBondContact O-CB 3.4Å; V275-L279 WeakPolarHBondContact O-CG 3.33Å; V275-L279 PolarHBondContact O-N 3.37Å; V275-I293 HydrophobicContact CG2-CD1 4Å; V275-K304 HydrophobicContact CB-CD 4.2Å; V275-K304 HydrophobicContact CG1-CD 4.06Å; V275-K304 HydrophobicContact CG1-CG 4.18Å; V275-K304 HydrophobicContact CG2-CD 3.74Å |
| 276 | I | 58.9 | Low | 58.5 | Low | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -56.4 | -46.1 | 170.5 | -66.6 | -160.5 | 0 | 0 | 0 | 110.9 | L272 G273 Q280 L308 Y336 R339 A340 I343 | L272-I276 WeakPolarHBondContact O-CG1 3.47Å; L272-I276 PolarHBondContact O-N 3.31Å; G273-I276 PolarHBondContact O-N 3.02Å; I276-Q280 WeakPolarHBondContact O-CG 3.31Å; I276-Q280 PolarHBondContact O-N 3.23Å; I276-L308 HydrophobicContact CG1-CD1 4.18Å; I276-Y336 HydrophobicContact CD1-CD1 4.24Å; I276-Y336 HydrophobicContact CD1-CE1 3.33Å; I276-Y336 HydrophobicContact CD1-CE2 4.28Å; I276-Y336 WeakPolarHBondContact CD1-OH 2.93Å; I276-R339 HydrophobicContact CG2-CB 3.93Å; I276-A340 HydrophobicContact CD1-CB 4.05Å; I276-I343 HydrophobicContact CB-CD1 3.98Å; I276-I343 HydrophobicContact CD1-CD1 4.02Å; I276-I343 HydrophobicContact CG1-CD1 3.66Å; I276-I343 HydrophobicContact CG2-CD1 3.86Å; I276-I343 HydrophobicContact CG2-CG1 4.32Å |
| 277 | S | 52.5 | Low | 57.8 | Low | 40 Ų | 40 | 50.2 Ų | 50.2 | 28% | 0.28 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -69.1 | -33.5 | 177.7 | -88.4 | 0 | 0 | 0 | 0 | 113.9 | G273 N274 V275 Q280 R339 | G273-S277 PolarHBondContact O-N 3.44Å; N274-S277 CarbonylContact O-C 3.56Å; N274-S277 PolarHBondContact O-N 2.91Å; V275-S277 VanDerWaalsContact C-N 3.28Å; V275-S277 PolarHBondContact O-N 3.5Å; S277-Q280 WeakPolarHBondContact O-CB 3.46Å; S277-Q280 PolarHBondContact O-N 3.12Å; S277-R339 PolarHBondContact OG-NH1 3.4Å |
| 278 | A | 54.1 | Low | 57.1 | Low | 5 Ų | 5 | 55.7 Ų | 55.7 | 4% | 0.041 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -73.2 | -39.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | N274 V275 Q280 V281 T286 L289 H290 | N274-A278 VanDerWaalsContact O-CB 3.28Å; N274-A278 WeakPolarHBondContact O-CB 3.39Å; N274-A278 PolarHBondContact O-N 2.75Å; V275-A278 PolarHBondContact O-N 2.79Å; A278-Q280 PolarHBondContact O-N 2.92Å; A278-V281 PolarHBondContact O-N 3.2Å; A278-V281 VanDerWaalsContact O-N 3.16Å; A278-T286 HydrophobicContact CB-CG2 3.96Å; A278-T286 WeakPolarHBondContact O-CG2 3.45Å; A278-L289 HydrophobicContact CB-CD2 4.29Å; A278-H290 WeakPolarHBondContact CB-CE1 3.37Å |
| 279 | L | 57.6 | Low | 56.3 | Low | 56 Ų | 56 | 59.2 Ų | 59.2 | 29% | 0.293 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -10.6 | 176 | -69.2 | 172.8 | 0 | 0 | 0 | 113.5 | V275 L308 I343 | V275-L279 HydrophobicContact CG1-CD1 3.55Å; V275-L279 HydrophobicContact CG1-CG 3.97Å; V275-L279 VanDerWaalsContact O-CB 3.31Å; V275-L279 WeakPolarHBondContact O-CB 3.4Å; V275-L279 WeakPolarHBondContact O-CG 3.33Å; V275-L279 PolarHBondContact O-N 3.37Å; L279-L308 HydrophobicContact CD1-CB 3.74Å; L279-L308 WeakPolarHBondContact CD1-O 3.48Å; L279-I343 HydrophobicContact CB-CG1 4.35Å; L279-I343 HydrophobicContact CB-CG2 4.4Å; L279-I343 HydrophobicContact CD1-CG2 4.21Å |
| 280 | Q | 58.8 | Low | 55.6 | Low | 65 Ų | 65 | 60.8 Ų | 60.8 | 30% | 0.304 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -23.1 | 172.7 | -73.4 | 177 | -29.8 | 0 | 0 | 113.7 | I276 S277 A278 R339 N342 | I276-Q280 WeakPolarHBondContact O-CG 3.31Å; I276-Q280 PolarHBondContact O-N 3.23Å; S277-Q280 WeakPolarHBondContact O-CB 3.46Å; S277-Q280 PolarHBondContact O-N 3.12Å; A278-Q280 PolarHBondContact O-N 2.92Å; Q280-R339 VanDerWaalsContact NE2-C 3.28Å; Q280-R339 VanDerWaalsContact NE2-CB 3.32Å; Q280-R339 PolarHBondContact NE2-O 3.38Å; Q280-N342 HydrophobicContact CG-CB 3.85Å; Q280-N342 PolarHBondContact NE2-ND2 2.77Å |
| 281 | V | 54.3 | Low | 55.2 | Low | 84 Ų | 84 | 63.1 Ų | 63.1 | 51% | 0.509 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -110.8 | 126.9 | -173.4 | -175.7 | 0 | 0 | 0 | 0 | 108.2 | A278 S283 T286 | A278-V281 PolarHBondContact O-N 3.2Å; A278-V281 VanDerWaalsContact O-N 3.16Å; V281-S283 PolarHBondContact O-N 3.48Å; V281-T286 HydrophobicContact CB-CG2 4.43Å |
| 282 | D | 49.9 | Very low | 54.8 | Low | 146 Ų | 146 | 65.3 Ų | 65.3 | 78% | 0.781 | 37% | 0.371 | S | S | * | . | trans | -51.8 | 141.2 | -178.4 | -80.1 | -39.9 | 0 | 0 | 0 | 112.7 | T284 | D282-T284 PolarHBondContact O-N 3.36Š| ||
| 283 | S | 52.7 | Low | 54.4 | Low | 99 Ų | 99 | 65.5 Ų | 65.5 | 69% | 0.692 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.5 | -4.2 | -162 | 56.1 | 0 | 0 | 0 | 0 | 120.6 | V281 T286 | V281-S283 PolarHBondContact O-N 3.48Å; S283-T286 WeakPolarHBondContact CA-OG1 3.5Å; S283-T286 PolarHBondContact O-OG1 3.03Å |
| 284 | T | 51.7 | Low | 54.4 | Low | 130 Ų | 130 | 68.8 Ų | 68.8 | 80% | 0.798 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -31.6 | -171.7 | 56.3 | 0 | 0 | 0 | 0 | 113.9 | D282 | D282-T284 PolarHBondContact O-N 3.36Š|
| 285 | V | 49.8 | Very low | 54.1 | Low | 115 Ų | 115 | 71.8 Ų | 71.8 | 70% | 0.697 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | -11.6 | -178.2 | -175 | 0 | 0 | 0 | 0 | 112 | ||
| 286 | T | 51.5 | Low | 53.6 | Low | 15 Ų | 15 | 75.2 Ų | 75.2 | 9% | 0.092 | 43% | 0.426 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | -11.5 | -163.4 | 50.7 | 0 | 0 | 0 | 0 | 115 | A278 V281 S283 Y288 L289 H290 | A278-T286 HydrophobicContact CB-CG2 3.96Å; A278-T286 WeakPolarHBondContact O-CG2 3.45Å; V281-T286 HydrophobicContact CB-CG2 4.43Å; S283-T286 WeakPolarHBondContact CA-OG1 3.5Å; S283-T286 PolarHBondContact O-OG1 3.03Å; T286-Y288 PolarHBondContact O-N 3.44Å; T286-L289 PolarHBondContact O-N 2.82Å; T286-H290 PolarHBondContact O-N 2.74Å; T286-H290 PolarHBondContact O-ND1 3.26Å |
| 287 | G | 53.3 | Low | 53.6 | Low | 48 Ų | 48 | 76.2 Ų | 76.2 | 50% | 0.495 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -57.1 | -47.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114 | L289 H290 Q291 | G287-L289 PolarHBondContact O-N 2.77Å; G287-H290 PolarHBondContact O-N 3.2Å; G287-Q291 PolarHBondContact O-N 2.8Å; G287-Q291 VanDerWaalsContact O-N 3.1Å |
| 288 | Y | 52 | Low | 53.9 | Low | 200 Ų | 200 | 77.1 Ų | 77.1 | 78% | 0.784 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -65.3 | -38.5 | 178.9 | -73.1 | -77.4 | 0 | 0 | 0 | 113.1 | T286 A292 | T286-Y288 PolarHBondContact O-N 3.44Å; Y288-A292 WeakPolarHBondContact O-CB 3.3Å; Y288-A292 PolarHBondContact O-N 3.4Å |
| 289 | L | 53.3 | Low | 54.5 | Low | 77 Ų | 77 | 78 Ų | 78 | 40% | 0.403 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -69 | -39.9 | 178.9 | -176.7 | 63.5 | 0 | 0 | 0 | 111 | A278 T286 G287 I293 | A278-L289 HydrophobicContact CB-CD2 4.29Å; T286-L289 PolarHBondContact O-N 2.82Å; G287-L289 PolarHBondContact O-N 2.77Å; L289-I293 HydrophobicContact CD1-CD1 4.2Å; L289-I293 HydrophobicContact CD1-CG1 4.48Å; L289-I293 HydrophobicContact CG-CD1 3.98Å; L289-I293 WeakPolarHBondContact O-CD1 3.46Å; L289-I293 WeakPolarHBondContact O-CG1 3.15Å; L289-I293 PolarHBondContact O-N 3.27Å; L289-I293 VanDerWaalsContact O-N 3.16Å |
| 290 | H | 52.7 | Low | 54.6 | Low | 40 Ų | 40 | 75.6 Ų | 75.6 | 19% | 0.185 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -60.9 | -51.1 | 175.4 | -77.6 | 89 | 0 | 0 | 0 | 111.3 | A278 T286 G287 A292 I293 E294 | A278-H290 WeakPolarHBondContact CB-CE1 3.37Å; T286-H290 PolarHBondContact O-N 2.74Å; T286-H290 PolarHBondContact O-ND1 3.26Å; G287-H290 PolarHBondContact O-N 3.2Å; H290-A292 PolarHBondContact O-N 2.89Å; H290-I293 PolarHBondContact O-N 3.5Å; H290-I293 VanDerWaalsContact O-N 3.12Å; H290-E294 WeakPolarHBondContact O-CG 3.49Å; H290-E294 PolarHBondContact O-N 2.95Å |
| 291 | Q | 55 | Low | 54.6 | Low | 112 Ų | 112 | 73.5 Ų | 73.5 | 52% | 0.523 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -60.2 | -43.6 | -179.9 | -173.3 | 178 | 53.8 | 0 | 0 | 112.3 | G287 I293 E294 L295 | G287-Q291 PolarHBondContact O-N 2.8Å; G287-Q291 VanDerWaalsContact O-N 3.1Å; Q291-I293 VanDerWaalsContact C-N 3.28Å; Q291-I293 PolarHBondContact O-N 3.25Å; Q291-E294 PolarHBondContact O-N 3.3Å; Q291-L295 HydrophobicContact CG-CD1 4.17Å; Q291-L295 WeakPolarHBondContact O-CG 3.31Å; Q291-L295 PolarHBondContact O-N 3.4Å |
| 292 | A | 52.2 | Low | 54.9 | Low | 50 Ų | 50 | 71 Ų | 71 | 41% | 0.413 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62 | -36.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y288 H290 S296 | Y288-A292 WeakPolarHBondContact O-CB 3.3Å; Y288-A292 PolarHBondContact O-N 3.4Å; H290-A292 PolarHBondContact O-N 2.89Å; A292-S296 WeakPolarHBondContact O-CB 3.41Å; A292-S296 PolarHBondContact O-N 3.32Å; A292-S296 PolarHBondContact O-OG 3Å |
| 293 | I | 55.5 | Low | 55.4 | Low | 10 Ų | 10 | 64.6 Ų | 64.6 | 5% | 0.051 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -72.8 | -41.5 | 176.7 | -61.1 | 162.5 | 0 | 0 | 0 | 111 | A271 N274 V275 L289 H290 Q291 L295 S296 F297 | A271-I293 HydrophobicContact CB-CG2 3.51Å; N274-I293 HydrophobicContact CB-CD1 3.65Å; V275-I293 HydrophobicContact CG2-CD1 4Å; L289-I293 HydrophobicContact CD1-CD1 4.2Å; L289-I293 HydrophobicContact CD1-CG1 4.48Å; L289-I293 HydrophobicContact CG-CD1 3.98Å; L289-I293 WeakPolarHBondContact O-CD1 3.46Å; L289-I293 WeakPolarHBondContact O-CG1 3.15Å; L289-I293 PolarHBondContact O-N 3.27Å; L289-I293 VanDerWaalsContact O-N 3.16Å; H290-I293 PolarHBondContact O-N 3.5Å; H290-I293 VanDerWaalsContact O-N 3.12Å; Q291-I293 VanDerWaalsContact C-N 3.28Å; Q291-I293 PolarHBondContact O-N 3.25Å; I293-L295 VanDerWaalsContact C-N 3.31Å; I293-L295 PolarHBondContact O-N 2.87Å; I293-S296 PolarHBondContact O-N 3.3Å; I293-F297 PolarHBondContact O-N 3.38Å |
| 294 | E | 57 | Low | 55.7 | Low | 74 Ų | 74 | 60.7 Ų | 60.7 | 35% | 0.346 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -59.3 | -41.5 | 177 | -76.1 | 167.8 | -173 | 0 | 0 | 112.1 | H290 Q291 S296 P298 Q301 | H290-E294 WeakPolarHBondContact O-CG 3.49Å; H290-E294 PolarHBondContact O-N 2.95Å; Q291-E294 PolarHBondContact O-N 3.3Å; E294-S296 VanDerWaalsContact C-N 3.35Å; E294-P298 WeakPolarHBondContact O-CA 3.38Å; E294-Q301 HydrophobicContact CG-CG 4.32Å |
| 295 | L | 52.9 | Low | 55.8 | Low | 138 Ų | 138 | 58.9 Ų | 58.9 | 72% | 0.723 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -68.8 | -32.2 | 176.7 | -70.1 | 170 | 0 | 0 | 0 | 113.1 | Q291 I293 | Q291-L295 HydrophobicContact CG-CD1 4.17Å; Q291-L295 WeakPolarHBondContact O-CG 3.31Å; Q291-L295 PolarHBondContact O-N 3.4Å; I293-L295 VanDerWaalsContact C-N 3.31Å; I293-L295 PolarHBondContact O-N 2.87Å |
| 296 | S | 49.9 | Very low | 56.2 | Low | 76 Ų | 76 | 55.9 Ų | 55.9 | 53% | 0.531 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -87.2 | -30.1 | -175.9 | -55.8 | 0 | 0 | 0 | 0 | 113.2 | A292 I293 E294 | A292-S296 WeakPolarHBondContact O-CB 3.41Å; A292-S296 PolarHBondContact O-N 3.32Å; A292-S296 PolarHBondContact O-OG 3Å; I293-S296 PolarHBondContact O-N 3.3Å; E294-S296 VanDerWaalsContact C-N 3.35Å |
| 297 | F | 59 | Low | 56.7 | Low | 20 Ų | 20 | 55.3 Ų | 55.3 | 9% | 0.088 | 30% | 0.296 | C | S | . | . | trans | -138.3 | 67 | -175.9 | -61.2 | -77.6 | 0 | 0 | 0 | 110.8 | E145 L267 A271 I293 N299 L300 | E145-F297 HydrophobicContact CG-CD1 4.48Å; L267-F297 HydrophobicContact CB-CE1 4.2Å; L267-F297 HydrophobicContact CB-CE2 4.48Å; L267-F297 HydrophobicContact CB-CZ 3.8Å; L267-F297 HydrophobicContact CD1-CE2 4.48Å; L267-F297 HydrophobicContact CD1-CZ 4.47Å; L267-F297 HydrophobicContact CD2-CE1 4.31Å; L267-F297 HydrophobicContact CD2-CE2 3.96Å; L267-F297 HydrophobicContact CD2-CZ 3.33Å; L267-F297 HydrophobicContact CG-CE1 4.1Å; L267-F297 HydrophobicContact CG-CE2 3.6Å; L267-F297 HydrophobicContact CG-CZ 3.21Å; A271-F297 HydrophobicContact CB-CD2 3.78Å; A271-F297 HydrophobicContact CB-CE2 4.45Å; A271-F297 HydrophobicContact CB-CG 4.24Å; I293-F297 PolarHBondContact O-N 3.38Å; F297-N299 PolarHBondContact O-N 3.02Å; F297-L300 HydrophobicContact CB-CB 3.88Å; F297-L300 HydrophobicContact CB-CD2 4.43Å; F297-L300 WeakPolarHBondContact O-CB 3.26Å; F297-L300 PolarHBondContact O-N 2.93Å; F297-L300 VanDerWaalsContact O-N 3.15Å | ||
| 298 | P | 58.2 | Low | 57.3 | Low | 59 Ų | 59 | 53.6 Ų | 53.6 | 38% | 0.383 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -60.2 | -35.8 | -178.6 | 24.6 | -33.7 | 0 | 0 | 0 | 111.3 | L161 E294 L300 Q301 | L161-P298 VanDerWaalsContact CD1-O 3.29Å; L161-P298 WeakPolarHBondContact CD1-O 3.28Å; E294-P298 WeakPolarHBondContact O-CA 3.38Å; P298-L300 PolarHBondContact O-N 3.32Å; P298-Q301 WeakPolarHBondContact O-CB 3.35Å; P298-Q301 VanDerWaalsContact O-CG 3.23Å; P298-Q301 WeakPolarHBondContact O-CG 3.33Å; P298-Q301 PolarHBondContact O-N 3.49Å |
| 299 | N | 66.6 | Low | 57.8 | Low | 24 Ų | 24 | 45.8 Ų | 45.8 | 13% | 0.128 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -68.7 | -21.6 | -178.7 | -67.7 | -13.8 | 0 | 0 | 0 | 114 | E145 I147 L161 F297 Q301 L302 | E145-N299 PolarHBondContact O-ND2 3.41Å; I147-N299 HydrophobicContact CD1-CB 4.23Å; I147-N299 HydrophobicContact CG1-CB 4.4Å; L161-N299 HydrophobicContact CD1-CB 4.34Å; L161-N299 VanDerWaalsContact CD1-OD1 3.27Å; L161-N299 WeakPolarHBondContact CD1-OD1 3.41Å; L161-N299 WeakPolarHBondContact CG-OD1 3.29Å; F297-N299 PolarHBondContact O-N 3.02Å; N299-Q301 PolarHBondContact O-N 3.34Å; N299-L302 PolarHBondContact O-N 3.02Å |
| 300 | L | 60.7 | Low | 58.9 | Low | 6 Ų | 6 | 43 Ų | 43 | 3% | 0.031 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -73 | -15.3 | 172.6 | -164.7 | 72.8 | 0 | 0 | 0 | 112.6 | S268 A271 L272 F297 P298 L302 L303 K304 | S268-L300 WeakPolarHBondContact O-CD2 3.38Å; A271-L300 HydrophobicContact CB-CD2 3.53Å; L272-L300 HydrophobicContact CB-CD1 4.49Å; L272-L300 HydrophobicContact CB-CD2 4.21Å; F297-L300 HydrophobicContact CB-CB 3.88Å; F297-L300 HydrophobicContact CB-CD2 4.43Å; F297-L300 WeakPolarHBondContact O-CB 3.26Å; F297-L300 PolarHBondContact O-N 2.93Å; F297-L300 VanDerWaalsContact O-N 3.15Å; P298-L300 PolarHBondContact O-N 3.32Å; L300-L302 PolarHBondContact O-N 3.18Å; L300-L303 HydrophobicContact CD1-CB 4.44Å; L300-L303 HydrophobicContact CD1-CD1 3.84Å; L300-L303 PolarHBondContact O-N 3.46Å; L300-K304 PolarHBondContact O-N 3.33Å |
| 301 | Q | 58.6 | Low | 60.4 | Low | 20 Ų | 20 | 42.8 Ų | 42.8 | 9% | 0.093 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.5 | -32.4 | 174.6 | -66.4 | -175.1 | 35.9 | 0 | 0 | 112 | E294 P298 N299 L303 K304 Q305 | E294-Q301 HydrophobicContact CG-CG 4.32Å; P298-Q301 WeakPolarHBondContact O-CB 3.35Å; P298-Q301 VanDerWaalsContact O-CG 3.23Å; P298-Q301 WeakPolarHBondContact O-CG 3.33Å; P298-Q301 PolarHBondContact O-N 3.49Å; N299-Q301 PolarHBondContact O-N 3.34Å; Q301-L303 PolarHBondContact O-N 3.11Å; Q301-K304 PolarHBondContact O-N 3.4Å; Q301-Q305 PolarHBondContact O-N 3.29Å |
| 302 | L | 61.1 | Low | 62 | Low | 31 Ų | 31 | 37.5 Ų | 37.5 | 16% | 0.162 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.9 | -31.5 | 175.5 | -157.7 | 79.6 | 0 | 0 | 0 | 112.5 | L140 L161 V169 V171 I213 N299 L300 | L140-L302 HydrophobicContact CD1-CD2 4.3Å; L140-L302 HydrophobicContact CD2-CD2 3.78Å; L161-L302 HydrophobicContact CD2-CD1 3.85Å; V169-L302 HydrophobicContact CG1-CD1 4.44Å; V171-L302 HydrophobicContact CG2-CD1 3.84Å; V171-L302 HydrophobicContact CG2-CD2 3.9Å; I213-L302 HydrophobicContact CD1-CD2 3.98Å; N299-L302 PolarHBondContact O-N 3.02Å; L300-L302 PolarHBondContact O-N 3.18Å |
| 303 | L | 59.5 | Low | 63.8 | Low | 12 Ų | 12 | 37.2 Ų | 37.2 | 6% | 0.063 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -84.8 | -22.5 | 174.5 | -72.5 | 178.2 | 0 | 0 | 0 | 113.1 | I213 V241 L243 L300 Q301 S307 | I213-L303 HydrophobicContact CD1-CD2 3.45Å; I213-L303 VanDerWaalsContact CD1-CD2 3.45Å; I213-L303 HydrophobicContact CD1-CG 3.99Å; I213-L303 HydrophobicContact CG1-CD2 3.97Å; V241-L303 HydrophobicContact CG1-CD2 3.83Å; V241-L303 HydrophobicContact CG2-CD2 4.07Å; L243-L303 HydrophobicContact CD2-CD1 3.73Å; L300-L303 HydrophobicContact CD1-CB 4.44Å; L300-L303 HydrophobicContact CD1-CD1 3.84Å; L300-L303 PolarHBondContact O-N 3.46Å; Q301-L303 PolarHBondContact O-N 3.11Å; L303-S307 WeakPolarHBondContact O-CB 3.15Å; L303-S307 PolarHBondContact O-OG 3.01Å |
| 304 | K | 59.1 | Low | 65.6 | Low | 17 Ų | 17 | 37 Ų | 37 | 7% | 0.074 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -92 | -59.9 | -172 | -73.2 | 178.5 | -178.2 | 177.9 | 0 | 114 | L272 V275 L300 Q301 D306 S307 L308 | L272-K304 HydrophobicContact CD1-CG 4.41Å; V275-K304 HydrophobicContact CB-CD 4.2Å; V275-K304 HydrophobicContact CG1-CD 4.06Å; V275-K304 HydrophobicContact CG1-CG 4.18Å; V275-K304 HydrophobicContact CG2-CD 3.74Å; L300-K304 PolarHBondContact O-N 3.33Å; Q301-K304 PolarHBondContact O-N 3.4Å; K304-D306 PolarHBondContact O-N 2.76Å; K304-S307 PolarHBondContact O-N 2.9Å; K304-L308 PolarHBondContact O-N 2.92Å |
| 305 | Q | 54.9 | Low | 67.4 | Low | 93 Ų | 93 | 33.6 Ų | 33.6 | 44% | 0.435 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -37.8 | -166.5 | -77.3 | -174.3 | -6.8 | 0 | 0 | 111.7 | V169 Q301 | V169-Q305 VanDerWaalsContact CG2-OE1 3.22Å; Q301-Q305 PolarHBondContact O-N 3.29Å |
| 306 | D | 57.8 | Low | 69.4 | Low | 51 Ų | 51 | 27 Ų | 27 | 27% | 0.273 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 0.2 | -179.6 | -77 | -5.9 | 0 | 0 | 0 | 114.3 | K237 K304 T312 | K237-D306 IonicContact NZ-OD2 3.05Å; K237-D306 PolarHBondContact NZ-OD2 3.05Å; K304-D306 PolarHBondContact O-N 2.76Å; D306-T312 WeakPolarHBondContact O-CB 3.44Å; D306-T312 WeakPolarHBondContact O-CG2 3.47Å; D306-T312 PolarHBondContact O-OG1 2.85Å |
| 307 | S | 60.7 | Low | 71.6 | Confident | 4 Ų | 4 | 23.4 Ų | 23.4 | 3% | 0.028 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -131.1 | -25.5 | -175.8 | -49.4 | 0 | 0 | 0 | 0 | 115.3 | T86 L303 K304 T314 N345 | T86-S307 WeakPolarHBondContact CG2-OG 3.39Å; T86-S307 WeakPolarHBondContact OG1-CB 3.29Å; T86-S307 PolarHBondContact OG1-OG 2.91Å; L303-S307 WeakPolarHBondContact O-CB 3.15Å; L303-S307 PolarHBondContact O-OG 3.01Å; K304-S307 PolarHBondContact O-N 2.9Å; S307-T314 WeakPolarHBondContact O-CG2 3.16Å; S307-T314 PolarHBondContact O-OG1 2.77Å; S307-N345 PolarHBondContact O-ND2 2.6Å |
| 308 | L | 66.4 | Low | 73.5 | Confident | 11 Ų | 11 | 22.4 Ų | 22.4 | 6% | 0.058 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -133.8 | 115.3 | -174 | -60.9 | 171.1 | 0 | 0 | 0 | 110.1 | V6 F88 L272 I276 L279 K304 T314 I343 | V6-L308 HydrophobicContact CG2-CD2 4.25Å; F88-L308 HydrophobicContact CE1-CD2 4.27Å; F88-L308 HydrophobicContact CZ-CD2 4.46Å; L272-L308 HydrophobicContact CD1-CD1 3.78Å; I276-L308 HydrophobicContact CG1-CD1 4.18Å; L279-L308 HydrophobicContact CD1-CB 3.74Å; L279-L308 WeakPolarHBondContact CD1-O 3.48Å; K304-L308 PolarHBondContact O-N 2.92Å; L308-T314 HydrophobicContact CD2-CG2 4.14Å; L308-I343 HydrophobicContact CD2-CD1 3.9Å |
| 309 | G | 63 | Low | 75.4 | Confident | 37 Ų | 37 | 19.7 Ų | 19.7 | 38% | 0.381 | 11% | 0.112 | S | C | . | . | S | Bend | trans | 87.1 | 0.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | N345 | G309-N345 WeakPolarHBondContact CA-OD1 3.37Å; G309-N345 PolarHBondContact N-OD1 3.37Å |
| 310 | G | 76.6 | Confident | 76.9 | Confident | 19 Ų | 19 | 18.6 Ų | 18.6 | 20% | 0.196 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -112.9 | -158.4 | -169.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | T312 K346 | G310-T312 PolarHBondContact O-N 2.88Å; G310-K346 PolarHBondContact O-N 2.87Å |
| 311 | N | 83.5 | Confident | 78.6 | Confident | 34 Ų | 34 | 18.3 Ų | 18.3 | 18% | 0.182 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -80.1 | 59.7 | 177.2 | 175.3 | 24.4 | 0 | 0 | 0 | 111.9 | N84 K346 K348 N350 | N84-N311 VanDerWaalsContact CB-O 3.29Å; N84-N311 WeakPolarHBondContact CB-O 3.49Å; N84-N311 PolarHBondContact ND2-ND2 2.71Å; N84-N311 PolarHBondContact ND2-O 3.46Å; N311-K346 WeakPolarHBondContact CA-O 3.47Å; N311-K348 HydrophobicContact CB-CG 4.34Å; N311-K348 WeakPolarHBondContact ND2-CE 3.44Å; N311-K348 VanDerWaalsContact ND2-CG 3.34Å; N311-K348 WeakPolarHBondContact ND2-CG 3.24Å; N311-K348 WeakPolarHBondContact OD1-CG 3.33Å; N311-K348 PolarHBondContact OD1-N 2.93Å; N311-K348 PolarHBondContact OD1-O 3.34Å; N311-K348 VanDerWaalsContact OD1-O 3.12Å; N311-N350 PolarHBondContact ND2-OD1 2.85Å |
| 312 | T | 87.9 | Confident | 80.4 | Confident | 1 Ų | 1 | 17.4 Ų | 17.4 | 1% | 0.006 | 10% | 0.101 | C | C | . | . | trans | -151.6 | 134.2 | -175.1 | -60.1 | 0 | 0 | 0 | 0 | 112.7 | N84 D306 G310 T314 N345 | N84-T312 HydrophobicContact CB-CG2 4.07Å; N84-T312 WeakPolarHBondContact CB-OG1 3.35Å; D306-T312 WeakPolarHBondContact O-CB 3.44Å; D306-T312 WeakPolarHBondContact O-CG2 3.47Å; D306-T312 PolarHBondContact O-OG1 2.85Å; G310-T312 PolarHBondContact O-N 2.88Å; T312-T314 PolarHBondContact O-OG1 3.14Å; T312-N345 VanDerWaalsContact O-CB 3.3Å; T312-N345 WeakPolarHBondContact O-CB 3.45Å; T312-N345 PolarHBondContact O-ND2 3.32Å | ||
| 313 | K | 91.5 | Very high | 82.1 | Confident | 44 Ų | 44 | 16 Ų | 16 | 19% | 0.191 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 127.3 | 165.4 | -64 | -169.5 | 179.6 | -169.7 | 0 | 108.8 | L75 Y83 N84 G85 T86 P347 | L75-K313 HydrophobicContact CD1-CB 4.35Å; L75-K313 HydrophobicContact CG-CB 4.16Å; Y83-K313 HydrophobicContact CG-CD 4.47Å; N84-K313 PolarHBondContact O-N 3.44Å; G85-K313 CarbonylContact C-O 3.59Å; G85-K313 VanDerWaalsContact CA-O 3.29Å; G85-K313 WeakPolarHBondContact CA-O 3.32Å; T86-K313 PolarHBondContact N-O 2.85Å; K313-P347 HydrophobicContact CG-CB 3.7Å; K313-P347 HydrophobicContact CG-CG 4Å |
| 314 | T | 92.4 | Very high | 83.9 | Confident | 7 Ų | 7 | 17.2 Ų | 17.2 | 4% | 0.043 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 131.4 | -170.3 | -58.3 | 0 | 0 | 0 | 0 | 112.4 | V6 K7 T86 F88 S307 L308 T312 N345 | V6-T314 HydrophobicContact CG1-CG2 3.98Å; V6-T314 HydrophobicContact CG2-CG2 4.33Å; K7-T314 PolarHBondContact N-O 2.98Å; T86-T314 CarbonylContact O-C 3.5Å; T86-T314 WeakPolarHBondContact O-CA 3.45Å; F88-T314 HydrophobicContact CD1-CG2 4.13Å; F88-T314 HydrophobicContact CE1-CG2 3.59Å; S307-T314 WeakPolarHBondContact O-CG2 3.16Å; S307-T314 PolarHBondContact O-OG1 2.77Å; L308-T314 HydrophobicContact CD2-CG2 4.14Å; T312-T314 PolarHBondContact O-OG1 3.14Å; T314-N345 PolarHBondContact OG1-ND2 3.16Å |
| 315 | L | 94.6 | Very high | 85.6 | Confident | 1 Ų | 1 | 20.1 Ų | 20.1 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 121.7 | 174.7 | 175.7 | 63.3 | 0 | 0 | 0 | 110.2 | K7 I9 A71 C72 L75 T86 I87 F88 I317 | K7-L315 HydrophobicContact CB-CD1 3.92Å; K7-L315 WeakPolarHBondContact O-CA 3.03Å; I9-L315 HydrophobicContact CG1-CD1 4.28Å; I9-L315 HydrophobicContact CG2-CD1 4.1Å; A71-L315 HydrophobicContact CB-CD1 4.31Å; A71-L315 HydrophobicContact CB-CD2 4.03Å; C72-L315 HydrophobicContact CB-CD2 4.47Å; L75-L315 HydrophobicContact CD1-CB 3.72Å; T86-L315 PolarHBondContact O-N 3.46Å; I87-L315 WeakPolarHBondContact CA-O 3.47Å; I87-L315 HydrophobicContact CD1-CD2 4.5Å; I87-L315 HydrophobicContact CG1-CB 4.24Å; I87-L315 HydrophobicContact CG1-CD2 4.33Å; I87-L315 HydrophobicContact CG2-CB 4.44Å; I87-L315 HydrophobicContact CG2-CD2 4.05Å; I87-L315 HydrophobicContact CG2-CG 4.33Å; F88-L315 PolarHBondContact N-O 3.39Å; L315-I317 HydrophobicContact CD2-CD1 4.44Å; L315-I317 HydrophobicContact CD2-CG1 4.28Å; L315-I317 HydrophobicContact CG-CG1 4.17Å |
| 316 | M | 94.7 | Very high | 87.4 | Confident | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 125.5 | 167.7 | 179 | 178.6 | 175.3 | 0 | 0 | 109.9 | K7 V8 I9 F88 Y90 A318 Y336 A337 A340 | K7-M316 PolarHBondContact O-N 3.24Å; V8-M316 WeakPolarHBondContact CA-O 3.33Å; V8-M316 HydrophobicContact CG1-CB 4.32Å; V8-M316 HydrophobicContact CG1-CG 4.4Å; V8-M316 HydrophobicContact CG1-SD 4.26Å; V8-M316 HydrophobicContact CG2-CB 4.18Å; I9-M316 PolarHBondContact N-O 3.1Å; F88-M316 HydrophobicContact CD2-CG 4.22Å; F88-M316 HydrophobicContact CE1-CB 4.05Å; F88-M316 HydrophobicContact CE2-CB 3.82Å; F88-M316 HydrophobicContact CE2-CG 3.48Å; F88-M316 VanDerWaalsContact CE2-CG 3.48Å; F88-M316 HydrophobicContact CE2-SD 4Å; F88-M316 HydrophobicContact CZ-CB 3.53Å; F88-M316 HydrophobicContact CZ-CG 3.72Å; F88-M316 HydrophobicContact CZ-SD 4.18Å; Y90-M316 HydrophobicContact CD1-CE 3.63Å; Y90-M316 HydrophobicContact CG-CE 3.81Å; M316-A318 HydrophobicContact CE-CB 3.92Å; M316-Y336 HydrophobicContact CE-CD1 3.5Å; M316-Y336 HydrophobicContact CE-CE1 3.9Å; M316-Y336 HydrophobicContact SD-CD1 4.09Å; M316-Y336 HydrophobicContact SD-CE1 4.2Å; M316-A337 HydrophobicContact CE-CB 3.96Å; M316-A337 HydrophobicContact SD-CB 4.29Å; M316-A340 HydrophobicContact SD-CB 3.66Å |
| 317 | I | 97.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 101.1 | 169.7 | -49.1 | 177.9 | 0 | 0 | 0 | 108.9 | I9 R11 I87 F88 A89 Y90 T100 V113 L315 C319 | I9-I317 HydrophobicContact CD1-CB 4.41Å; I9-I317 HydrophobicContact CD1-CD1 4.38Å; I9-I317 HydrophobicContact CD1-CG1 3.9Å; I9-I317 HydrophobicContact CD1-CG2 4.04Å; I9-I317 HydrophobicContact CG1-CB 4.16Å; I9-I317 HydrophobicContact CG1-CG1 3.93Å; I9-I317 HydrophobicContact CG1-CG2 4.02Å; R11-I317 HydrophobicContact CB-CG2 4.46Å; I87-I317 HydrophobicContact CG2-CD1 3.65Å; I87-I317 HydrophobicContact CG2-CG1 4.1Å; F88-I317 PolarHBondContact O-N 3.12Å; A89-I317 WeakPolarHBondContact CA-O 3.3Å; Y90-I317 PolarHBondContact N-O 3.14Å; T100-I317 HydrophobicContact CG2-CD1 3.92Å; T100-I317 HydrophobicContact CG2-CG2 3.97Å; V113-I317 HydrophobicContact CG2-CD1 4.25Å; L315-I317 HydrophobicContact CD2-CD1 4.44Å; L315-I317 HydrophobicContact CD2-CG1 4.28Å; L315-I317 HydrophobicContact CG-CG1 4.17Å; I317-C319 PolarHBondContact O-N 3.19Å |
| 318 | A | 97.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 106 | 178 | 0 | 0 | 0 | 0 | 0 | 110.5 | I9 V10 R11 Y90 M316 T333 A337 | I9-A318 PolarHBondContact O-N 3.43Å; V10-A318 CarbonylContact C-O 3.54Å; V10-A318 VanDerWaalsContact CA-O 3.3Å; V10-A318 WeakPolarHBondContact CA-O 3.49Å; V10-A318 HydrophobicContact CG1-CB 3.9Å; R11-A318 PolarHBondContact N-O 2.63Å; Y90-A318 CarbonylContact O-C 3.57Å; Y90-A318 WeakPolarHBondContact O-CA 3.29Å; M316-A318 HydrophobicContact CE-CB 3.92Å; A318-T333 HydrophobicContact CB-CG2 4.06Å; A318-A337 HydrophobicContact CB-CB 3.78Å |
| 319 | C | 97.9 | Very high | 92.1 | Very high | 1 Ų | 1 | 19.2 Ų | 19.2 | 1% | 0.007 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 130.2 | -179.3 | -63 | 0 | 0 | 0 | 0 | 111 | R11 Y90 C95 K97 I317 | R11-C319 CarbonylContact O-C 3.3Å; R11-C319 WeakPolarHBondContact O-CA 3.47Å; Y90-C319 PolarHBondContact O-N 3Å; C95-C319 HydrophobicContact CB-CB 4.22Å; C95-C319 WeakPolarHBondContact SG-CB 3.39Å; C95-C319 PolarHBondContact SG-O 3.33Å; K97-C319 HydrophobicContact CG-CB 4.04Å; I317-C319 PolarHBondContact O-N 3.19Å |
| 320 | L | 98.3 | Very high | 93.7 | Very high | 1 Ų | 1 | 17.5 Ų | 17.5 | 1% | 0.005 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 140.4 | -169.4 | -54.3 | 179.8 | 0 | 0 | 0 | 111.6 | V10 R11 A12 R13 L28 T330 T333 L334 | V10-L320 HydrophobicContact CB-CD1 3.92Å; V10-L320 HydrophobicContact CB-CG 4.49Å; V10-L320 HydrophobicContact CG1-CD1 4.22Å; R11-L320 PolarHBondContact O-N 3.19Å; A12-L320 HydrophobicContact CB-CB 4.44Å; R13-L320 PolarHBondContact N-O 2.84Å; L28-L320 HydrophobicContact CD1-CB 3.73Å; L28-L320 HydrophobicContact CD1-CD1 4.23Å; L320-T330 HydrophobicContact CB-CG2 4.08Å; L320-T330 HydrophobicContact CD2-CG2 4.08Å; L320-T330 HydrophobicContact CG-CG2 4.49Å; L320-T333 HydrophobicContact CD2-CG2 3.62Å; L320-L334 HydrophobicContact CD1-CD2 3.76Å; L320-L334 HydrophobicContact CD1-CG 4.28Å; L320-L334 HydrophobicContact CD2-CD2 4.18Å; L320-L334 HydrophobicContact CD2-CG 4.06Å |
| 321 | S | 96.9 | Very high | 94.6 | Very high | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.007 | 9% | 0.088 | C | C | . | . | trans | -92.6 | 131.7 | 168.1 | 168.7 | 0 | 0 | 0 | 0 | 110 | A323 N326 T330 | S321-A323 VanDerWaalsContact C-N 3.35Å; S321-A323 PolarHBondContact OG-N 3.34Å; S321-N326 WeakPolarHBondContact OG-CB 3.48Å; S321-N326 PolarHBondContact OG-ND2 2.68Å; S321-T330 PolarHBondContact O-OG1 2.92Å | ||
| 322 | P | 97.2 | Very high | 95.1 | Very high | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.006 | 9% | 0.091 | C | C | . | . | trans | -79.1 | -14.7 | 176.7 | 34.9 | -38.8 | 0 | 0 | 0 | 113.5 | R13 L15 N26 I27 L28 | R13-P322 VanDerWaalsContact O-CD 3.22Å; R13-P322 WeakPolarHBondContact O-CD 3.14Å; R13-P322 WeakPolarHBondContact O-CG 2.99Å; L15-P322 HydrophobicContact CD2-CB 4.45Å; L15-P322 HydrophobicContact CD2-CG 3.86Å; L15-P322 HydrophobicContact CG-CG 4.02Å; N26-P322 CarbonylContact C-O 3.52Å; N26-P322 WeakPolarHBondContact CA-O 3.36Å; N26-P322 WeakPolarHBondContact OD1-CB 3.14Å; I27-P322 WeakPolarHBondContact CG1-O 3.38Å; I27-P322 PolarHBondContact N-O 3.37Å; L28-P322 HydrophobicContact CD1-CB 4.39Å | ||
| 323 | A | 96.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 9% | 0.091 | C | C | . | . | B | Isolated β-bridge | trans | -70.2 | 136 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | L15 E19 C24 S321 N325 N326 | L15-A323 HydrophobicContact CD2-CB 3.79Å; E19-A323 HydrophobicContact CB-CB 4.38Å; E19-A323 HydrophobicContact CG-CB 3.86Å; C24-A323 HydrophobicContact CB-CB 3.94Å; S321-A323 VanDerWaalsContact C-N 3.35Å; S321-A323 PolarHBondContact OG-N 3.34Å; A323-N325 VanDerWaalsContact C-N 3.35Å; A323-N325 VanDerWaalsContact CB-OD1 3.27Å; A323-N325 WeakPolarHBondContact CB-OD1 3.31Å; A323-N325 PolarHBondContact O-N 2.91Å; A323-N326 WeakPolarHBondContact O-CA 3.27Å; A323-N326 WeakPolarHBondContact O-CB 3.5Å; A323-N326 PolarHBondContact O-N 3.08Å |
| 324 | D | 96.6 | Very high | 95.6 | Very high | 39 Ų | 39 | 15 Ų | 15 | 21% | 0.209 | 8% | 0.082 | C | C | . | . | G | 310 helix | trans | -52.8 | -40.9 | 175.9 | 58.5 | -3 | 0 | 0 | 0 | 115.3 | C24 D25 I27 P42 N326 Y327 | C24-D324 WeakPolarHBondContact CA-OD1 3.03Å; C24-D324 VanDerWaalsContact CB-OD1 3.31Å; C24-D324 WeakPolarHBondContact CB-OD1 3.39Å; C24-D324 PolarHBondContact SG-OD1 3.39Å; D25-D324 HydrophobicContact CB-CB 4.26Å; D25-D324 PolarHBondContact N-OD2 3.08Å; D25-D324 PolarHBondContact O-N 3.07Å; I27-D324 HydrophobicContact CG2-CB 3.75Å; P42-D324 HydrophobicContact CB-CB 3.92Å; P42-D324 HydrophobicContact CG-CB 4.45Å; D324-N326 PolarHBondContact O-N 3.35Å; D324-N326 VanDerWaalsContact O-N 3.14Å; D324-Y327 WeakPolarHBondContact O-CB 3.38Å; D324-Y327 PolarHBondContact O-N 2.91Å |
| 325 | N | 93.9 | Very high | 95.7 | Very high | 77 Ų | 77 | 21 Ų | 21 | 41% | 0.412 | 10% | 0.104 | S | C | . | . | G | 310 helix | trans | -63.6 | -17.2 | 176.4 | 64.7 | 4.8 | 0 | 0 | 0 | 113.6 | C24 K251 A323 | C24-N325 PolarHBondContact SG-ND2 3.31Å; C24-N325 VanDerWaalsContact SG-ND2 3.44Å; K251-N325 PolarHBondContact NZ-O 3.14Å; A323-N325 VanDerWaalsContact C-N 3.35Å; A323-N325 VanDerWaalsContact CB-OD1 3.27Å; A323-N325 WeakPolarHBondContact CB-OD1 3.31Å; A323-N325 PolarHBondContact O-N 2.91Å |
| 326 | N | 94.4 | Very high | 95.5 | Very high | 25 Ų | 25 | 21.3 Ų | 21.3 | 13% | 0.134 | 11% | 0.105 | C | C | . | . | G | 310 helix | trans | -98.6 | 3.1 | 177.1 | -72.3 | -32.3 | 0 | 0 | 0 | 112.9 | E19 Q92 S321 A323 D324 D328 E329 T330 | E19-N326 PolarHBondContact OE1-ND2 2.83Å; Q92-N326 VanDerWaalsContact NE2-CG 3.26Å; Q92-N326 PolarHBondContact NE2-ND2 2.85Å; Q92-N326 PolarHBondContact NE2-OD1 2.9Å; S321-N326 WeakPolarHBondContact OG-CB 3.48Å; S321-N326 PolarHBondContact OG-ND2 2.68Å; A323-N326 WeakPolarHBondContact O-CA 3.27Å; A323-N326 WeakPolarHBondContact O-CB 3.5Å; A323-N326 PolarHBondContact O-N 3.08Å; D324-N326 PolarHBondContact O-N 3.35Å; D324-N326 VanDerWaalsContact O-N 3.14Å; N326-D328 VanDerWaalsContact C-N 3.33Å; N326-D328 PolarHBondContact O-N 3.03Å; N326-D328 VanDerWaalsContact O-N 3.13Å; N326-E329 PolarHBondContact O-N 3.08Å; N326-T330 PolarHBondContact O-N 3.47Å; N326-T330 PolarHBondContact O-OG1 3.07Å |
| 327 | Y | 95.9 | Very high | 95.4 | Very high | 18 Ų | 18 | 21.3 Ų | 21.3 | 7% | 0.071 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -43.4 | -51.5 | -176.6 | 174.9 | -96.6 | 0 | 0 | 0 | 114.6 | I27 I39 A40 P42 K50 D324 E329 T330 L331 | I27-Y327 VanDerWaalsContact CD1-CA 3.45Å; I27-Y327 HydrophobicContact CD1-CD2 3.78Å; I27-Y327 HydrophobicContact CD1-CG 4.26Å; I39-Y327 HydrophobicContact CD1-CD2 3.77Å; I39-Y327 HydrophobicContact CD1-CE2 3.83Å; I39-Y327 HydrophobicContact CG1-CD2 3.93Å; I39-Y327 HydrophobicContact CG1-CE2 3.82Å; A40-Y327 VanDerWaalsContact O-CD2 3.24Å; A40-Y327 WeakPolarHBondContact O-CD2 3.38Å; A40-Y327 WeakPolarHBondContact O-CE2 3.37Å; P42-Y327 VanDerWaalsContact CD-CG 3.5Å; P42-Y327 HydrophobicContact CG-CD2 4.29Å; P42-Y327 HydrophobicContact CG-CG 4.02Å; K50-Y327 PolarHBondContact NZ-OH 3.4Å; K50-Y327 VanDerWaalsContact NZ-OH 3.12Å; D324-Y327 WeakPolarHBondContact O-CB 3.38Å; D324-Y327 PolarHBondContact O-N 2.91Å; Y327-E329 VanDerWaalsContact C-N 3.3Å; Y327-E329 PolarHBondContact O-N 3.08Å; Y327-T330 PolarHBondContact O-N 2.65Å; Y327-L331 HydrophobicContact CE1-CD2 3.95Å; Y327-L331 WeakPolarHBondContact O-CB 3.39Å; Y327-L331 PolarHBondContact O-N 3.01Å |
| 328 | D | 93.9 | Very high | 95.1 | Very high | 95 Ų | 95 | 24.5 Ų | 24.5 | 51% | 0.508 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -63.7 | -36.1 | -175.6 | -67 | -44.6 | 0 | 0 | 0 | 113 | N326 S332 | N326-D328 VanDerWaalsContact C-N 3.33Å; N326-D328 PolarHBondContact O-N 3.03Å; N326-D328 VanDerWaalsContact O-N 3.13Å; D328-S332 VanDerWaalsContact O-CB 3.32Å; D328-S332 WeakPolarHBondContact O-CB 3.21Å; D328-S332 PolarHBondContact O-N 3.45Å |
| 329 | E | 93.1 | Very high | 94.6 | Very high | 3 Ų | 3 | 28.3 Ų | 28.3 | 1% | 0.014 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -80.1 | -40.4 | -177.5 | -58.6 | -56.3 | 168.1 | 0 | 0 | 111.1 | Q92 E247 R248 K251 N326 Y327 L331 S332 T333 | Q92-E329 HydrophobicContact CB-CB 4.22Å; Q92-E329 VanDerWaalsContact OE1-CB 3.23Å; E247-E329 WeakPolarHBondContact CA-OE2 3.37Å; E247-E329 HydrophobicContact CB-CG 3.99Å; R248-E329 PolarHBondContact N-OE1 2.85Å; K251-E329 HydrophobicContact CD-CG 4.33Å; N326-E329 PolarHBondContact O-N 3.08Å; Y327-E329 VanDerWaalsContact C-N 3.3Å; Y327-E329 PolarHBondContact O-N 3.08Å; E329-L331 VanDerWaalsContact C-N 3.34Å; E329-L331 PolarHBondContact O-N 3.32Å; E329-S332 WeakPolarHBondContact O-CB 3.47Å; E329-S332 PolarHBondContact O-N 3.01Å; E329-T333 WeakPolarHBondContact O-CB 3.24Å; E329-T333 PolarHBondContact O-N 3.38Å; E329-T333 PolarHBondContact O-OG1 3.08Å |
| 330 | T | 96.4 | Very high | 94.1 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.006 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.7 | -44.1 | 170.9 | -61.4 | 0 | 0 | 0 | 0 | 110.7 | L28 I39 L320 S321 N326 Y327 T333 L334 | L28-T330 HydrophobicContact CD1-CG2 4.06Å; L28-T330 HydrophobicContact CD2-CG2 3.84Å; L28-T330 HydrophobicContact CG-CG2 4.3Å; I39-T330 HydrophobicContact CD1-CG2 3.82Å; L320-T330 HydrophobicContact CB-CG2 4.08Å; L320-T330 HydrophobicContact CD2-CG2 4.08Å; L320-T330 HydrophobicContact CG-CG2 4.49Å; S321-T330 PolarHBondContact O-OG1 2.92Å; N326-T330 PolarHBondContact O-N 3.47Å; N326-T330 PolarHBondContact O-OG1 3.07Å; Y327-T330 PolarHBondContact O-N 2.65Å; T330-T333 WeakPolarHBondContact O-CB 3.49Å; T330-T333 PolarHBondContact O-N 2.8Å; T330-L334 HydrophobicContact CG2-CD1 4.35Å; T330-L334 WeakPolarHBondContact O-CG 3.43Å; T330-L334 PolarHBondContact O-N 2.82Å |
| 331 | L | 96.2 | Very high | 93.6 | Very high | 9 Ų | 9 | 30.6 Ų | 30.6 | 5% | 0.047 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.1 | -41 | 175.4 | 178.8 | 63.7 | 0 | 0 | 0 | 112.5 | I39 K50 F52 Y327 E329 T333 L334 R335 | I39-L331 HydrophobicContact CD1-CB 4.03Å; I39-L331 HydrophobicContact CG2-CD1 4.11Å; K50-L331 HydrophobicContact CD-CD1 3.68Å; K50-L331 HydrophobicContact CD-CD2 4.49Å; F52-L331 HydrophobicContact CE2-CD1 4.22Å; F52-L331 HydrophobicContact CZ-CD1 4.06Å; Y327-L331 HydrophobicContact CE1-CD2 3.95Å; Y327-L331 WeakPolarHBondContact O-CB 3.39Å; Y327-L331 PolarHBondContact O-N 3.01Å; E329-L331 VanDerWaalsContact C-N 3.34Å; E329-L331 PolarHBondContact O-N 3.32Å; L331-T333 VanDerWaalsContact C-N 3.31Å; L331-L334 PolarHBondContact O-N 3.42Å; L331-R335 HydrophobicContact CD1-CG 4.47Å; L331-R335 WeakPolarHBondContact O-CG 3.36Å; L331-R335 PolarHBondContact O-N 3.04Å |
| 332 | S | 92.7 | Very high | 93 | Very high | 35 Ų | 35 | 34.7 Ų | 34.7 | 25% | 0.245 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.9 | -44.6 | 175.2 | -171.5 | 0 | 0 | 0 | 0 | 110.9 | D328 E329 R335 Y336 | D328-S332 VanDerWaalsContact O-CB 3.32Å; D328-S332 WeakPolarHBondContact O-CB 3.21Å; D328-S332 PolarHBondContact O-N 3.45Å; E329-S332 WeakPolarHBondContact O-CB 3.47Å; E329-S332 PolarHBondContact O-N 3.01Å; S332-R335 PolarHBondContact O-N 3.1Å; S332-Y336 WeakPolarHBondContact O-CB 3.48Å; S332-Y336 PolarHBondContact O-N 3.21Å |
| 333 | T | 94.5 | Very high | 92.4 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.006 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.4 | -47.7 | 177.2 | -58.7 | 0 | 0 | 0 | 0 | 111.8 | Y90 A318 L320 E329 T330 L331 R335 Y336 A337 | Y90-T333 HydrophobicContact CD1-CG2 3.98Å; Y90-T333 HydrophobicContact CE1-CG2 4.19Å; A318-T333 HydrophobicContact CB-CG2 4.06Å; L320-T333 HydrophobicContact CD2-CG2 3.62Å; E329-T333 WeakPolarHBondContact O-CB 3.24Å; E329-T333 PolarHBondContact O-N 3.38Å; E329-T333 PolarHBondContact O-OG1 3.08Å; T330-T333 WeakPolarHBondContact O-CB 3.49Å; T330-T333 PolarHBondContact O-N 2.8Å; L331-T333 VanDerWaalsContact C-N 3.31Å; T333-R335 VanDerWaalsContact C-N 3.34Å; T333-R335 PolarHBondContact O-N 2.69Å; T333-Y336 WeakPolarHBondContact O-CB 3.26Å; T333-Y336 PolarHBondContact O-N 3.15Å; T333-A337 WeakPolarHBondContact O-CB 3.39Å; T333-A337 PolarHBondContact O-N 2.76Å |
| 334 | L | 96.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.1 | -42.9 | 176.2 | -74.5 | 167.5 | 0 | 0 | 0 | 112.6 | V10 C37 I39 F52 F54 L320 T330 L331 A337 N338 | V10-L334 HydrophobicContact CG1-CD2 4.08Å; C37-L334 HydrophobicContact CB-CD2 4.38Å; I39-L334 HydrophobicContact CB-CD1 3.94Å; I39-L334 HydrophobicContact CD1-CD1 4.1Å; I39-L334 HydrophobicContact CG2-CD1 3.8Å; F52-L334 HydrophobicContact CD1-CB 4.47Å; F52-L334 HydrophobicContact CD2-CB 4.04Å; F52-L334 HydrophobicContact CD2-CD1 3.97Å; F52-L334 HydrophobicContact CD2-CD2 4.29Å; F52-L334 HydrophobicContact CD2-CG 4.34Å; F52-L334 HydrophobicContact CE1-CB 4.32Å; F52-L334 HydrophobicContact CE2-CB 3.88Å; F52-L334 HydrophobicContact CE2-CD1 3.94Å; F52-L334 HydrophobicContact CE2-CG 4.45Å; F52-L334 HydrophobicContact CG-CB 4.33Å; F52-L334 HydrophobicContact CG-CD2 4.5Å; F52-L334 HydrophobicContact CZ-CB 4.03Å; F54-L334 HydrophobicContact CE2-CD2 3.67Å; F54-L334 HydrophobicContact CZ-CD2 3.79Å; L320-L334 HydrophobicContact CD1-CD2 3.76Å; L320-L334 HydrophobicContact CD1-CG 4.28Å; L320-L334 HydrophobicContact CD2-CD2 4.18Å; L320-L334 HydrophobicContact CD2-CG 4.06Å; T330-L334 HydrophobicContact CG2-CD1 4.35Å; T330-L334 WeakPolarHBondContact O-CG 3.43Å; T330-L334 PolarHBondContact O-N 2.82Å; L331-L334 PolarHBondContact O-N 3.42Å; L334-A337 PolarHBondContact O-N 3.38Å; L334-N338 WeakPolarHBondContact O-CB 3.47Å; L334-N338 PolarHBondContact O-N 2.91Å |
| 335 | R | 93.8 | Very high | 91.1 | Very high | 134 Ų | 134 | 39.1 Ų | 39.1 | 51% | 0.506 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -66.7 | -37.5 | 176.6 | -74.8 | 172.3 | 166.8 | 173.2 | -7 | 112.5 | F52 L331 S332 T333 R339 | F52-R335 HydrophobicContact CE1-CG 4.27Å; F52-R335 HydrophobicContact CZ-CG 4.2Å; L331-R335 HydrophobicContact CD1-CG 4.47Å; L331-R335 WeakPolarHBondContact O-CG 3.36Å; L331-R335 PolarHBondContact O-N 3.04Å; S332-R335 PolarHBondContact O-N 3.1Å; T333-R335 VanDerWaalsContact C-N 3.34Å; T333-R335 PolarHBondContact O-N 2.69Å; R335-R339 WeakPolarHBondContact O-CG 3.31Å; R335-R339 PolarHBondContact O-N 3.38Å |
| 336 | Y | 89.6 | Confident | 90.8 | Very high | 6 Ų | 6 | 41.8 Ų | 41.8 | 2% | 0.024 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.6 | -49.8 | 175.2 | -171.9 | -78.9 | 0 | 0 | 0 | 110.8 | Y90 L272 G273 I276 M316 S332 T333 N338 R339 A340 | Y90-Y336 HydrophobicContact CD1-CD1 4.1Å; Y90-Y336 HydrophobicContact CD1-CE1 4.47Å; Y90-Y336 HydrophobicContact CD2-CE1 4.22Å; Y90-Y336 AromaticContact CE1-CD1 3.9Å; Y90-Y336 HydrophobicContact CE1-CD1 3.9Å; Y90-Y336 HydrophobicContact CE1-CD2 4.35Å; Y90-Y336 HydrophobicContact CE1-CE1 4.4Å; Y90-Y336 AromaticContact CE1-CG 3.86Å; Y90-Y336 HydrophobicContact CE1-CG 3.86Å; Y90-Y336 HydrophobicContact CE2-CD1 4.39Å; Y90-Y336 HydrophobicContact CE2-CD2 4.46Å; Y90-Y336 HydrophobicContact CE2-CE1 4.11Å; Y90-Y336 HydrophobicContact CE2-CE2 4.19Å; Y90-Y336 HydrophobicContact CG-CD1 4.47Å; Y90-Y336 HydrophobicContact CG-CE1 4.4Å; Y90-Y336 AromaticContact CZ-CD2 3.9Å; Y90-Y336 AromaticContact CZ-CG 3.88Å; L272-Y336 WeakPolarHBondContact CD2-OH 3.05Å; L272-Y336 VanDerWaalsContact CG-OH 3.29Å; L272-Y336 WeakPolarHBondContact CG-OH 3.32Å; G273-Y336 VanDerWaalsContact CA-CE2 3.41Å; I276-Y336 HydrophobicContact CD1-CD1 4.24Å; I276-Y336 HydrophobicContact CD1-CE1 3.33Å; I276-Y336 HydrophobicContact CD1-CE2 4.28Å; I276-Y336 WeakPolarHBondContact CD1-OH 2.93Å; M316-Y336 HydrophobicContact CE-CD1 3.5Å; M316-Y336 HydrophobicContact CE-CE1 3.9Å; M316-Y336 HydrophobicContact SD-CD1 4.09Å; M316-Y336 HydrophobicContact SD-CE1 4.2Å; S332-Y336 WeakPolarHBondContact O-CB 3.48Å; S332-Y336 PolarHBondContact O-N 3.21Å; T333-Y336 WeakPolarHBondContact O-CB 3.26Å; T333-Y336 PolarHBondContact O-N 3.15Å; Y336-N338 VanDerWaalsContact C-N 3.33Å; Y336-N338 PolarHBondContact O-N 3.17Å; Y336-R339 WeakPolarHBondContact O-CB 3.26Å; Y336-R339 PolarHBondContact O-N 3.31Å; Y336-R339 VanDerWaalsContact O-N 3.07Å; Y336-A340 PolarHBondContact O-N 3.23Å |
| 337 | A | 92.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -56.7 | -45.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | V8 F54 M316 A318 T333 L334 R339 A340 K341 | V8-A337 HydrophobicContact CG1-CB 3.73Å; F54-A337 HydrophobicContact CD1-CB 4.43Å; F54-A337 HydrophobicContact CE1-CB 3.59Å; F54-A337 HydrophobicContact CZ-CB 4.11Å; M316-A337 HydrophobicContact CE-CB 3.96Å; M316-A337 HydrophobicContact SD-CB 4.29Å; A318-A337 HydrophobicContact CB-CB 3.78Å; T333-A337 WeakPolarHBondContact O-CB 3.39Å; T333-A337 PolarHBondContact O-N 2.76Å; L334-A337 PolarHBondContact O-N 3.38Å; A337-R339 PolarHBondContact O-N 2.94Å; A337-A340 WeakPolarHBondContact O-CB 3.34Å; A337-A340 PolarHBondContact O-N 3.25Å; A337-A340 VanDerWaalsContact O-N 3.09Å; A337-K341 PolarHBondContact O-N 3.42Å |
| 338 | N | 91.8 | Very high | 90.2 | Very high | 67 Ų | 67 | 47.2 Ų | 47.2 | 36% | 0.358 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62.7 | -31.1 | 178.1 | -171 | 67.4 | 0 | 0 | 0 | 112.8 | F52 F54 L334 Y336 | F52-N338 HydrophobicContact CD1-CB 4.1Å; F52-N338 HydrophobicContact CE1-CB 4.48Å; F54-N338 HydrophobicContact CE1-CB 4.43Å; L334-N338 WeakPolarHBondContact O-CB 3.47Å; L334-N338 PolarHBondContact O-N 2.91Å; Y336-N338 VanDerWaalsContact C-N 3.33Å; Y336-N338 PolarHBondContact O-N 3.17Å |
| 339 | R | 87.6 | Confident | 90 | Very high | 80 Ų | 80 | 44.6 Ų | 44.6 | 30% | 0.302 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -71.9 | -42.2 | 172.5 | -74.9 | -173.3 | -68 | 148 | 0.1 | 111.6 | G273 I276 S277 Q280 R335 Y336 A337 K341 N342 | G273-R339 PolarHBondContact O-NH1 2.88Å; I276-R339 HydrophobicContact CG2-CB 3.93Å; S277-R339 PolarHBondContact OG-NH1 3.4Å; Q280-R339 VanDerWaalsContact NE2-C 3.28Å; Q280-R339 VanDerWaalsContact NE2-CB 3.32Å; Q280-R339 PolarHBondContact NE2-O 3.38Å; R335-R339 WeakPolarHBondContact O-CG 3.31Å; R335-R339 PolarHBondContact O-N 3.38Å; Y336-R339 WeakPolarHBondContact O-CB 3.26Å; Y336-R339 PolarHBondContact O-N 3.31Å; Y336-R339 VanDerWaalsContact O-N 3.07Å; A337-R339 PolarHBondContact O-N 2.94Å; R339-K341 PolarHBondContact O-N 2.96Å; R339-K341 VanDerWaalsContact O-N 3.15Å; R339-N342 PolarHBondContact O-N 3.48Å; R339-N342 VanDerWaalsContact O-N 3.08Å |
| 340 | A | 86.8 | Confident | 89.6 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -56.5 | -33.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | V8 I276 M316 Y336 A337 N342 I343 | V8-A340 HydrophobicContact CG2-CB 3.92Å; I276-A340 HydrophobicContact CD1-CB 4.05Å; M316-A340 HydrophobicContact SD-CB 3.66Å; Y336-A340 PolarHBondContact O-N 3.23Å; A337-A340 WeakPolarHBondContact O-CB 3.34Å; A337-A340 PolarHBondContact O-N 3.25Å; A337-A340 VanDerWaalsContact O-N 3.09Å; A340-N342 PolarHBondContact O-N 3.31Å; A340-I343 WeakPolarHBondContact O-CB 3.34Å; A340-I343 WeakPolarHBondContact O-CG1 3.36Å; A340-I343 PolarHBondContact O-N 3.31Å |
| 341 | K | 87.9 | Confident | 88.9 | Confident | 50 Ų | 50 | 48 Ų | 48 | 22% | 0.217 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -24.5 | 176.8 | -64.5 | -173.5 | 76.5 | -174.3 | 0 | 115.1 | V8 F53 F54 A337 R339 R344 | V8-K341 HydrophobicContact CB-CD 4.44Å; V8-K341 HydrophobicContact CB-CG 3.69Å; V8-K341 HydrophobicContact CG1-CG 4.45Å; V8-K341 HydrophobicContact CG2-CB 4.33Å; V8-K341 HydrophobicContact CG2-CG 3.48Å; V8-K341 VanDerWaalsContact CG2-CG 3.48Å; F53-K341 PolarHBondContact O-NZ 3.02Å; F54-K341 HydrophobicContact CD1-CD 4.16Å; A337-K341 PolarHBondContact O-N 3.42Å; R339-K341 PolarHBondContact O-N 2.96Å; R339-K341 VanDerWaalsContact O-N 3.15Å; K341-R344 PolarHBondContact O-NH1 3.23Å |
| 342 | N | 84.9 | Confident | 87.8 | Confident | 88 Ų | 88 | 50.2 Ų | 50.2 | 47% | 0.471 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -10.4 | -177.4 | -64.4 | -33.2 | 0 | 0 | 0 | 112.7 | Q280 R339 A340 R344 | Q280-N342 HydrophobicContact CG-CB 3.85Å; Q280-N342 PolarHBondContact NE2-ND2 2.77Å; R339-N342 PolarHBondContact O-N 3.48Å; R339-N342 VanDerWaalsContact O-N 3.08Å; A340-N342 PolarHBondContact O-N 3.31Å; N342-R344 PolarHBondContact O-NH1 3Å |
| 343 | I | 83.5 | Confident | 86.6 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 25% | 0.25 | C | S | . | . | trans | -66.8 | 140.6 | 174 | -58.5 | 172.8 | 0 | 0 | 0 | 108.7 | A5 V6 I276 L279 L308 A340 | A5-I343 WeakPolarHBondContact CA-O 3.41Å; V6-I343 HydrophobicContact CB-CB 4.35Å; V6-I343 HydrophobicContact CG2-CB 3.65Å; V6-I343 HydrophobicContact CG2-CG2 3.68Å; V6-I343 PolarHBondContact N-O 3.32Å; V6-I343 VanDerWaalsContact N-O 3.1Å; I276-I343 HydrophobicContact CB-CD1 3.98Å; I276-I343 HydrophobicContact CD1-CD1 4.02Å; I276-I343 HydrophobicContact CG1-CD1 3.66Å; I276-I343 HydrophobicContact CG2-CD1 3.86Å; I276-I343 HydrophobicContact CG2-CG1 4.32Å; L279-I343 HydrophobicContact CB-CG1 4.35Å; L279-I343 HydrophobicContact CB-CG2 4.4Å; L279-I343 HydrophobicContact CD1-CG2 4.21Å; L308-I343 HydrophobicContact CD2-CD1 3.9Å; A340-I343 WeakPolarHBondContact O-CB 3.34Å; A340-I343 WeakPolarHBondContact O-CG1 3.36Å; A340-I343 PolarHBondContact O-N 3.31Å | ||
| 344 | R | 82.3 | Confident | 85.2 | Confident | 129 Ų | 129 | 55.3 Ų | 55.3 | 49% | 0.487 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 124 | 179.5 | -68.6 | -65.3 | -176.8 | -89.6 | 0.9 | 110 | S3 E4 A5 K341 N342 | S3-R344 WeakPolarHBondContact OG-CB 3.33Å; E4-R344 CarbonylContact O-C 3.57Å; E4-R344 WeakPolarHBondContact O-CA 3.5Å; A5-R344 VanDerWaalsContact CB-NH1 3.33Å; K341-R344 PolarHBondContact O-NH1 3.23Å; N342-R344 PolarHBondContact O-NH1 3Å |
| 345 | N | 85.4 | Confident | 83.8 | Confident | 3 Ų | 3 | 55.5 Ų | 55.5 | 2% | 0.016 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 162.2 | 175.7 | -67.6 | -1.6 | 0 | 0 | 0 | 110.2 | S3 E4 S307 G309 T312 T314 | S3-N345 WeakPolarHBondContact CA-O 3.5Å; E4-N345 PolarHBondContact N-O 3.46Å; E4-N345 PolarHBondContact O-N 2.98Å; S307-N345 PolarHBondContact O-ND2 2.6Å; G309-N345 WeakPolarHBondContact CA-OD1 3.37Å; G309-N345 PolarHBondContact N-OD1 3.37Å; T312-N345 VanDerWaalsContact O-CB 3.3Å; T312-N345 WeakPolarHBondContact O-CB 3.45Å; T312-N345 PolarHBondContact O-ND2 3.32Å; T314-N345 PolarHBondContact OG1-ND2 3.16Å |
| 346 | K | 86.5 | Confident | 82.4 | Confident | 134 Ų | 134 | 50.3 Ų | 50.3 | 58% | 0.583 | 25% | 0.245 | S | C | * | . | trans | -127.6 | 69.7 | 178.1 | -65.9 | 178.8 | -176.7 | 172.9 | 0 | 109.9 | G310 N311 K348 | G310-K346 PolarHBondContact O-N 2.87Å; N311-K346 WeakPolarHBondContact CA-O 3.47Å; K346-K348 PolarHBondContact O-N 3.27Å | ||
| 347 | P | 89.4 | Confident | 81.4 | Confident | 25 Ų | 25 | 52.5 Ų | 52.5 | 16% | 0.162 | 26% | 0.257 | C | S | . | . | trans | -62.9 | 134.1 | 179.1 | 27.8 | -34.1 | 0 | 0 | 0 | 110.9 | E4 Y83 K313 | E4-P347 HydrophobicContact CB-CG 4.42Å; Y83-P347 HydrophobicContact CD1-CB 3.94Å; Y83-P347 HydrophobicContact CE1-CB 4.29Å; K313-P347 HydrophobicContact CG-CB 3.7Å; K313-P347 HydrophobicContact CG-CG 4Å | ||
| 348 | K | 88.1 | Confident | 80.4 | Confident | 131 Ų | 131 | 52.7 Ų | 52.7 | 57% | 0.57 | 26% | 0.258 | S | S | * | . | trans | -130.5 | 152.8 | 170.8 | 57 | 166.4 | -175.8 | 175.8 | 0 | 108.5 | Y83 N311 K346 N350 | Y83-K348 WeakPolarHBondContact CD1-O 3.38Å; N311-K348 HydrophobicContact CB-CG 4.34Å; N311-K348 WeakPolarHBondContact ND2-CE 3.44Å; N311-K348 VanDerWaalsContact ND2-CG 3.34Å; N311-K348 WeakPolarHBondContact ND2-CG 3.24Å; N311-K348 WeakPolarHBondContact OD1-CG 3.33Å; N311-K348 PolarHBondContact OD1-N 2.93Å; N311-K348 PolarHBondContact OD1-O 3.34Å; N311-K348 VanDerWaalsContact OD1-O 3.12Å; K346-K348 PolarHBondContact O-N 3.27Å; K348-N350 PolarHBondContact O-N 3.03Å | ||
| 349 | I | 89.6 | Confident | 79.6 | Confident | 40 Ų | 40 | 53.3 Ų | 53.3 | 21% | 0.205 | 26% | 0.255 | C | S | . | . | B | Isolated β-bridge | trans | -67.5 | 129.4 | 170.7 | -59.3 | 178.6 | 0 | 0 | 0 | 107.4 | G82 Y83 R234 E351 | G82-I349 CarbonylContact O-C 3.52Å; G82-I349 WeakPolarHBondContact O-CA 3.45Å; Y83-I349 HydrophobicContact CD1-CG1 4.3Å; Y83-I349 HydrophobicContact CD2-CG1 4.2Å; Y83-I349 HydrophobicContact CE1-CG1 3.79Å; Y83-I349 HydrophobicContact CE2-CD1 4.16Å; Y83-I349 HydrophobicContact CE2-CG1 3.66Å; Y83-I349 HydrophobicContact CG-CG1 4.49Å; Y83-I349 VanDerWaalsContact CZ-CG1 3.42Å; R234-I349 HydrophobicContact CG-CG2 4.29Å; I349-E351 HydrophobicContact CG2-CG 4Å; I349-E351 WeakPolarHBondContact CG2-OE1 3.45Å |
| 350 | N | 85.9 | Confident | 78.8 | Confident | 33 Ų | 33 | 55 Ų | 55 | 18% | 0.176 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 117.9 | 171.7 | -42.2 | -68.3 | 0 | 0 | 0 | 108.3 | G82 N84 R234 A235 N311 K348 | G82-N350 PolarHBondContact O-N 3.05Å; G82-N350 PolarHBondContact O-ND2 2.84Å; G82-N350 VanDerWaalsContact O-ND2 3.17Å; N84-N350 VanDerWaalsContact CG-ND2 3.34Å; N84-N350 PolarHBondContact ND2-OD1 3.17Å; N84-N350 PolarHBondContact OD1-ND2 3.17Å; R234-N350 CarbonylContact C-O 3.56Å; R234-N350 VanDerWaalsContact CA-O 3.28Å; R234-N350 WeakPolarHBondContact CA-O 3.49Å; A235-N350 HydrophobicContact CB-CB 4.27Å; A235-N350 PolarHBondContact N-O 3.45Å; A235-N350 WeakPolarHBondContact O-CB 3.41Å; A235-N350 PolarHBondContact O-ND2 3.32Å; N311-N350 PolarHBondContact ND2-OD1 2.85Å; K348-N350 PolarHBondContact O-N 3.03Å |
| 351 | E | 81.9 | Confident | 78.2 | Confident | 42 Ų | 42 | 57 Ų | 57 | 20% | 0.196 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 160.7 | 177.8 | -80.7 | 156.5 | -168 | 0 | 0 | 108.5 | I233 R234 I349 D355 A356 R359 | I233-E351 WeakPolarHBondContact O-CA 3.36Å; R234-E351 HydrophobicContact CG-CG 3.67Å; I349-E351 HydrophobicContact CG2-CG 4Å; I349-E351 WeakPolarHBondContact CG2-OE1 3.45Å; E351-D355 HydrophobicContact CB-CB 4.27Å; E351-A356 HydrophobicContact CB-CB 4.36Å; E351-R359 IonicContact OE1-CZ 3.06Å; E351-R359 IonicContact OE1-NH1 3.74Å; E351-R359 PolarHBondContact OE1-NH1 3.44Å; E351-R359 IonicContact OE1-NH2 3.39Å; E351-R359 IonicContact OE2-CZ 3.02Å; E351-R359 IonicContact OE2-NE 3.59Å; E351-R359 IonicContact OE2-NH1 3.29Å; E351-R359 PolarHBondContact OE2-NH1 3.05Å; E351-R359 IonicContact OE2-NH2 3.71Å; E351-R359 PolarHBondContact OE2-NH2 2.83Å |
| 352 | D | 73.3 | Confident | 77.4 | Confident | 57 Ų | 57 | 58.7 Ų | 58.7 | 31% | 0.305 | 28% | 0.283 | S | S | . | . | trans | -52.6 | 138.9 | 166 | -175 | -84.6 | 0 | 0 | 0 | 110.1 | I233 K354 D355 A356 | I233-D352 HydrophobicContact CB-CB 4.39Å; I233-D352 PolarHBondContact O-N 3.44Å; I233-D352 VanDerWaalsContact O-N 3.08Å; D352-K354 PolarHBondContact O-N 3.16Å; D352-K354 VanDerWaalsContact O-N 3.13Å; D352-K354 VanDerWaalsContact OD1-CB 3.28Å; D352-K354 WeakPolarHBondContact OD1-CB 3.5Å; D352-K354 PolarHBondContact OD1-N 3.43Å; D352-D355 HydrophobicContact CB-CB 4.1Å; D352-D355 WeakPolarHBondContact O-CA 3.48Å; D352-D355 WeakPolarHBondContact O-CB 3.34Å; D352-D355 PolarHBondContact O-N 3.42Å; D352-A356 PolarHBondContact O-N 2.95Å | ||
| 353 | P | 66.4 | Low | 77 | Confident | 104 Ų | 104 | 60 Ų | 60 | 68% | 0.675 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -51.6 | -36.5 | 179 | -28.4 | 35.3 | 0 | 0 | 0 | 113.9 | L357 | P353-L357 WeakPolarHBondContact O-CB 3.41Å; P353-L357 PolarHBondContact O-N 2.86Å |
| 354 | K | 64.5 | Low | 76.5 | Confident | 39 Ų | 39 | 63.2 Ų | 63.2 | 17% | 0.17 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -71.3 | -40.2 | 176.1 | -65.6 | -164 | 164.9 | -155.3 | 0 | 111.9 | D352 A356 L357 L358 E421 D424 K425 M428 | D352-K354 PolarHBondContact O-N 3.16Å; D352-K354 VanDerWaalsContact O-N 3.13Å; D352-K354 VanDerWaalsContact OD1-CB 3.28Å; D352-K354 WeakPolarHBondContact OD1-CB 3.5Å; D352-K354 PolarHBondContact OD1-N 3.43Å; K354-A356 VanDerWaalsContact C-N 3.35Å; K354-L357 PolarHBondContact O-N 3.23Å; K354-L358 WeakPolarHBondContact O-CB 3.25Å; K354-L358 VanDerWaalsContact O-CG 3.25Å; K354-L358 WeakPolarHBondContact O-CG 3.48Å; K354-L358 PolarHBondContact O-N 3.29Å; K354-E421 WeakPolarHBondContact CE-OE1 3.34Å; K354-E421 IonicContact NZ-OE1 3.7Å; K354-D424 PolarHBondContact NZ-O 3.41Å; K354-K425 HydrophobicContact CD-CB 4.28Å; K354-K425 HydrophobicContact CD-CG 4.41Å; K354-M428 HydrophobicContact CD-CE 3.82Å |
| 355 | D | 68.3 | Low | 76.1 | Confident | 4 Ų | 4 | 57.9 Ų | 57.9 | 2% | 0.021 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.8 | -43 | 174.6 | -81.1 | -37.9 | 0 | 0 | 0 | 111.8 | H232 I233 E351 D352 L357 L358 R359 K425 | H232-D355 WeakPolarHBondContact CA-OD2 3.49Å; H232-D355 IonicContact CE1-OD1 2.86Å; H232-D355 IonicContact CG-OD1 3.79Å; H232-D355 IonicContact ND1-OD1 3.86Å; H232-D355 PolarHBondContact ND1-OD1 2.68Å; H232-D355 IonicContact ND1-OD2 2.68Å; I233-D355 PolarHBondContact N-OD2 3.25Å; E351-D355 HydrophobicContact CB-CB 4.27Å; D352-D355 HydrophobicContact CB-CB 4.1Å; D352-D355 WeakPolarHBondContact O-CA 3.48Å; D352-D355 WeakPolarHBondContact O-CB 3.34Å; D352-D355 PolarHBondContact O-N 3.42Å; D355-L357 PolarHBondContact O-N 3.37Å; D355-L358 PolarHBondContact O-N 2.87Å; D355-R359 PolarHBondContact O-N 3.13Å; D355-K425 VanDerWaalsContact CG-NZ 3.25Å; D355-K425 IonicContact OD1-NZ 3.3Å; D355-K425 PolarHBondContact OD1-NZ 2.94Å; D355-K425 IonicContact OD2-NZ 3.95Å; D355-K425 PolarHBondContact OD2-NZ 3.04Å |
| 356 | A | 64.2 | Low | 75.7 | Confident | 25 Ų | 25 | 63.9 Ų | 63.9 | 21% | 0.207 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.8 | -42.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | E351 D352 K354 R359 Q360 | E351-A356 HydrophobicContact CB-CB 4.36Å; D352-A356 PolarHBondContact O-N 2.95Å; K354-A356 VanDerWaalsContact C-N 3.35Å; A356-R359 PolarHBondContact O-N 2.87Å; A356-Q360 WeakPolarHBondContact O-CG 3.27Å; A356-Q360 PolarHBondContact O-N 2.75Å; A356-Q360 VanDerWaalsContact O-N 3.07Å |
| 357 | L | 69.1 | Low | 75.1 | Confident | 52 Ų | 52 | 61.5 Ų | 61.5 | 27% | 0.272 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65.8 | -46 | 177.4 | -176.3 | 61.2 | 0 | 0 | 0 | 111.8 | P353 K354 D355 R359 Q360 Y361 E421 | P353-L357 WeakPolarHBondContact O-CB 3.41Å; P353-L357 PolarHBondContact O-N 2.86Å; K354-L357 PolarHBondContact O-N 3.23Å; D355-L357 PolarHBondContact O-N 3.37Å; L357-R359 VanDerWaalsContact C-N 3.32Å; L357-R359 PolarHBondContact O-N 2.87Å; L357-Q360 PolarHBondContact O-N 3.06Å; L357-Y361 HydrophobicContact CD1-CE1 4.34Å; L357-Y361 HydrophobicContact CD1-CE2 3.91Å; L357-Y361 HydrophobicContact CD2-CE2 4.12Å; L357-Y361 HydrophobicContact CG-CD2 4.19Å; L357-Y361 HydrophobicContact CG-CE2 3.65Å; L357-Y361 WeakPolarHBondContact O-CD2 3.41Å; L357-Y361 PolarHBondContact O-N 2.98Å; L357-E421 HydrophobicContact CD2-CG 3.95Å; L357-E421 HydrophobicContact CG-CG 4.5Å |
| 358 | L | 71.8 | Confident | 74.2 | Confident | 4 Ų | 4 | 60.3 Ų | 60.3 | 2% | 0.021 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.1 | -41.3 | 176 | -73.8 | 172.1 | 0 | 0 | 0 | 112 | K354 D355 Y361 Q362 Y418 E421 T422 K425 | K354-L358 WeakPolarHBondContact O-CB 3.25Å; K354-L358 VanDerWaalsContact O-CG 3.25Å; K354-L358 WeakPolarHBondContact O-CG 3.48Å; K354-L358 PolarHBondContact O-N 3.29Å; D355-L358 PolarHBondContact O-N 2.87Å; L358-Y361 PolarHBondContact O-N 3.49Å; L358-Q362 WeakPolarHBondContact O-CG 3.45Å; L358-Q362 PolarHBondContact O-N 3.36Å; L358-Y418 HydrophobicContact CB-CE2 4.26Å; L358-Y418 HydrophobicContact CD2-CD2 3.75Å; L358-Y418 HydrophobicContact CD2-CE2 3.72Å; L358-E421 HydrophobicContact CD2-CB 3.9Å; L358-E421 HydrophobicContact CD2-CG 4.01Å; L358-E421 HydrophobicContact CG-CG 4.21Å; L358-T422 HydrophobicContact CD1-CG2 4.3Å; L358-T422 HydrophobicContact CD2-CG2 3.49Å; L358-T422 VanDerWaalsContact CD2-CG2 3.49Å; L358-K425 HydrophobicContact CD1-CD 4.05Å |
| 359 | R | 73.4 | Confident | 73.4 | Confident | 79 Ų | 79 | 59.1 Ų | 59.1 | 30% | 0.298 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64.3 | -44.8 | 174.8 | -175.2 | -178.7 | 64 | -146.7 | -21.9 | 112 | E351 D355 A356 L357 Y361 Q362 E363 | E351-R359 IonicContact OE1-CZ 3.06Å; E351-R359 IonicContact OE1-NH1 3.74Å; E351-R359 PolarHBondContact OE1-NH1 3.44Å; E351-R359 IonicContact OE1-NH2 3.39Å; E351-R359 IonicContact OE2-CZ 3.02Å; E351-R359 IonicContact OE2-NE 3.59Å; E351-R359 IonicContact OE2-NH1 3.29Å; E351-R359 PolarHBondContact OE2-NH1 3.05Å; E351-R359 IonicContact OE2-NH2 3.71Å; E351-R359 PolarHBondContact OE2-NH2 2.83Å; D355-R359 PolarHBondContact O-N 3.13Å; A356-R359 PolarHBondContact O-N 2.87Å; L357-R359 VanDerWaalsContact C-N 3.32Å; L357-R359 PolarHBondContact O-N 2.87Å; R359-Y361 VanDerWaalsContact C-N 3.26Å; R359-Y361 PolarHBondContact O-N 3.25Å; R359-Q362 WeakPolarHBondContact O-CB 3.27Å; R359-Q362 PolarHBondContact O-N 3.17Å; R359-E363 HydrophobicContact CG-CG 4.24Å; R359-E363 IonicContact NE-OE1 3.25Å; R359-E363 PolarHBondContact O-N 3.19Å |
| 360 | Q | 72 | Confident | 72.8 | Confident | 117 Ų | 117 | 61.7 Ų | 61.7 | 55% | 0.547 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -57.7 | -42.1 | 177.3 | -75.4 | 179.8 | 0.9 | 0 | 0 | 111.4 | A356 L357 E364 | A356-Q360 WeakPolarHBondContact O-CG 3.27Å; A356-Q360 PolarHBondContact O-N 2.75Å; A356-Q360 VanDerWaalsContact O-N 3.07Å; L357-Q360 PolarHBondContact O-N 3.06Å; Q360-E364 WeakPolarHBondContact O-CB 3.1Å; Q360-E364 PolarHBondContact O-N 2.86Å |
| 361 | Y | 73.8 | Confident | 72.2 | Confident | 42 Ų | 42 | 62.2 Ų | 62.2 | 17% | 0.165 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.8 | -42.4 | 173.1 | -69.8 | -35.2 | 0 | 0 | 0 | 112.5 | L357 L358 R359 I365 M414 Q417 E421 | L357-Y361 HydrophobicContact CD1-CE1 4.34Å; L357-Y361 HydrophobicContact CD1-CE2 3.91Å; L357-Y361 HydrophobicContact CD2-CE2 4.12Å; L357-Y361 HydrophobicContact CG-CD2 4.19Å; L357-Y361 HydrophobicContact CG-CE2 3.65Å; L357-Y361 WeakPolarHBondContact O-CD2 3.41Å; L357-Y361 PolarHBondContact O-N 2.98Å; L358-Y361 PolarHBondContact O-N 3.49Å; R359-Y361 VanDerWaalsContact C-N 3.26Å; R359-Y361 PolarHBondContact O-N 3.25Å; Y361-I365 VanDerWaalsContact O-CB 3.24Å; Y361-I365 WeakPolarHBondContact O-CB 3.46Å; Y361-I365 WeakPolarHBondContact O-CD1 3.42Å; Y361-I365 WeakPolarHBondContact O-CG1 3.42Å; Y361-I365 PolarHBondContact O-N 2.95Å; Y361-M414 HydrophobicContact CD1-CG 4.25Å; Y361-M414 HydrophobicContact CD1-SD 3.6Å; Y361-M414 HydrophobicContact CE1-SD 3.97Å; Y361-Q417 HydrophobicContact CE1-CB 4.26Å; Y361-Q417 HydrophobicContact CE2-CB 4.19Å; Y361-E421 HydrophobicContact CE2-CB 4.41Å |
| 362 | Q | 71.4 | Confident | 71.8 | Confident | 85 Ų | 85 | 61.1 Ų | 61.1 | 40% | 0.397 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.4 | -45.8 | 176.9 | -72.9 | 176.4 | -5.8 | 0 | 0 | 112.9 | L358 R359 I365 K366 Y418 | L358-Q362 WeakPolarHBondContact O-CG 3.45Å; L358-Q362 PolarHBondContact O-N 3.36Å; R359-Q362 WeakPolarHBondContact O-CB 3.27Å; R359-Q362 PolarHBondContact O-N 3.17Å; Q362-I365 PolarHBondContact O-N 3.46Å; Q362-K366 WeakPolarHBondContact O-CB 3.28Å; Q362-K366 PolarHBondContact O-N 3.31Å; Q362-Y418 HydrophobicContact CG-CD2 4.2Å; Q362-Y418 HydrophobicContact CG-CE2 3.51Å; Q362-Y418 PolarHBondContact NE2-OH 3.06Å |
| 363 | E | 75.5 | Confident | 71.7 | Confident | 114 Ų | 114 | 62.4 Ų | 62.4 | 53% | 0.533 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.2 | -46.1 | 178.7 | -75.5 | 178.2 | -179.1 | 0 | 0 | 111.2 | R359 K366 H367 | R359-E363 HydrophobicContact CG-CG 4.24Å; R359-E363 IonicContact NE-OE1 3.25Å; R359-E363 PolarHBondContact O-N 3.19Å; E363-K366 WeakPolarHBondContact O-CB 3.46Å; E363-K366 PolarHBondContact O-N 2.98Å; E363-H367 WeakPolarHBondContact O-CB 3.4Å; E363-H367 PolarHBondContact O-N 2.94Å |
| 364 | E | 73.8 | Confident | 72 | Confident | 69 Ų | 69 | 62 Ų | 62 | 32% | 0.322 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -74.7 | -32.8 | -179.8 | -177.3 | 62.5 | -174 | 0 | 0 | 111.7 | Q360 K366 H367 L368 M414 | Q360-E364 WeakPolarHBondContact O-CB 3.1Å; Q360-E364 PolarHBondContact O-N 2.86Å; E364-K366 VanDerWaalsContact C-N 3.29Å; E364-K366 PolarHBondContact O-N 3.46Å; E364-H367 PolarHBondContact O-N 3.31Å; E364-H367 IonicContact OE1-ND1 3.8Å; E364-H367 IonicContact OE2-CG 2.66Å; E364-H367 IonicContact OE2-ND1 3.52Å; E364-H367 PolarHBondContact OE2-ND1 2.96Å; E364-L368 HydrophobicContact CG-CD1 4.15Å; E364-L368 HydrophobicContact CG-CG 4.34Å; E364-L368 VanDerWaalsContact O-CB 3.25Å; E364-L368 WeakPolarHBondContact O-CB 3.25Å; E364-L368 WeakPolarHBondContact O-CG 3.4Å; E364-L368 PolarHBondContact O-N 3.37Å; E364-M414 HydrophobicContact CB-CE 3.55Å; E364-M414 HydrophobicContact CG-CE 2.98Å |
| 365 | I | 74.6 | Confident | 72 | Confident | 16 Ų | 16 | 61.5 Ų | 61.5 | 8% | 0.082 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.6 | -41.4 | 167.5 | -74.6 | 165.4 | 0 | 0 | 0 | 110.8 | Y361 Q362 K369 L411 M414 K415 Y418 | Y361-I365 VanDerWaalsContact O-CB 3.24Å; Y361-I365 WeakPolarHBondContact O-CB 3.46Å; Y361-I365 WeakPolarHBondContact O-CD1 3.42Å; Y361-I365 WeakPolarHBondContact O-CG1 3.42Å; Y361-I365 PolarHBondContact O-N 2.95Å; Q362-I365 PolarHBondContact O-N 3.46Å; I365-K369 HydrophobicContact CG2-CD 4.12Å; I365-K369 WeakPolarHBondContact O-CB 3.18Å; I365-K369 WeakPolarHBondContact O-CG 3.41Å; I365-K369 PolarHBondContact O-N 3Å; I365-L411 HydrophobicContact CB-CD1 4.48Å; I365-L411 HydrophobicContact CG1-CD1 4.48Å; I365-L411 HydrophobicContact CG2-CD1 4.08Å; I365-M414 HydrophobicContact CD1-CG 4.22Å; I365-M414 HydrophobicContact CG1-CB 4.11Å; I365-M414 HydrophobicContact CG1-CG 3.69Å; I365-K415 HydrophobicContact CD1-CG 3.93Å; I365-K415 HydrophobicContact CG1-CG 4.29Å; I365-Y418 HydrophobicContact CD1-CG 4.36Å |
| 366 | K | 76 | Confident | 71.7 | Confident | 129 Ų | 129 | 66.8 Ų | 66.8 | 56% | 0.561 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -66.1 | -48.7 | 177.3 | -179.8 | -176.7 | 172 | -174.3 | 0 | 110.9 | Q362 E363 E364 L368 K369 E370 | Q362-K366 WeakPolarHBondContact O-CB 3.28Å; Q362-K366 PolarHBondContact O-N 3.31Å; E363-K366 WeakPolarHBondContact O-CB 3.46Å; E363-K366 PolarHBondContact O-N 2.98Å; E364-K366 VanDerWaalsContact C-N 3.29Å; E364-K366 PolarHBondContact O-N 3.46Å; K366-L368 PolarHBondContact O-N 3.08Å; K366-K369 WeakPolarHBondContact O-CB 3.41Å; K366-K369 PolarHBondContact O-N 2.59Å; K366-E370 WeakPolarHBondContact CE-OE1 3.3Å; K366-E370 WeakPolarHBondContact O-CG 3.18Å; K366-E370 PolarHBondContact O-N 3.02Å |
| 367 | H | 74.9 | Confident | 71.4 | Confident | 84 Ų | 84 | 70.6 Ų | 70.6 | 39% | 0.389 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -58.8 | -46.6 | 177.5 | 175.1 | -122.2 | 0 | 0 | 0 | 112 | E363 E364 K369 E370 L371 | E363-H367 WeakPolarHBondContact O-CB 3.4Å; E363-H367 PolarHBondContact O-N 2.94Å; E364-H367 PolarHBondContact O-N 3.31Å; E364-H367 IonicContact OE1-ND1 3.8Å; E364-H367 IonicContact OE2-CG 2.66Å; E364-H367 IonicContact OE2-ND1 3.52Å; E364-H367 PolarHBondContact OE2-ND1 2.96Å; H367-K369 PolarHBondContact O-N 2.8Å; H367-E370 PolarHBondContact O-N 3.39Å; H367-L371 VanDerWaalsContact CE1-CD1 3.43Å; H367-L371 WeakPolarHBondContact CE1-CD1 3.21Å; H367-L371 WeakPolarHBondContact O-CB 3.29Å; H367-L371 WeakPolarHBondContact O-CG 3.46Å; H367-L371 PolarHBondContact O-N 3Å |
| 368 | L | 69.5 | Low | 70.7 | Confident | 1 Ų | 1 | 71.2 Ų | 71.2 | 1% | 0.005 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.7 | -41.3 | 175.2 | -71.8 | 171.6 | 0 | 0 | 0 | 112.3 | E364 K366 L372 Y407 K410 L411 M414 | E364-L368 HydrophobicContact CG-CD1 4.15Å; E364-L368 HydrophobicContact CG-CG 4.34Å; E364-L368 VanDerWaalsContact O-CB 3.25Å; E364-L368 WeakPolarHBondContact O-CB 3.25Å; E364-L368 WeakPolarHBondContact O-CG 3.4Å; E364-L368 PolarHBondContact O-N 3.37Å; K366-L368 PolarHBondContact O-N 3.08Å; L368-L372 WeakPolarHBondContact O-CB 3.46Å; L368-L372 WeakPolarHBondContact O-CD1 3.48Å; L368-L372 WeakPolarHBondContact O-CG 3.42Å; L368-L372 PolarHBondContact O-N 2.77Å; L368-Y407 HydrophobicContact CD2-CD1 3.21Å; L368-Y407 HydrophobicContact CD2-CE1 3.8Å; L368-Y407 HydrophobicContact CD2-CG 4.07Å; L368-K410 HydrophobicContact CD1-CB 4.49Å; L368-L411 HydrophobicContact CB-CD1 4.02Å; L368-L411 HydrophobicContact CD1-CD1 4.43Å; L368-M414 HydrophobicContact CD1-CE 4.37Å |
| 369 | K | 71.5 | Confident | 69.8 | Low | 105 Ų | 105 | 76.3 Ų | 76.3 | 46% | 0.457 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.4 | -43.4 | 174.9 | -78.1 | 171.5 | 179.4 | 176.9 | 0 | 111.9 | I365 K366 H367 L372 N373 L411 | I365-K369 HydrophobicContact CG2-CD 4.12Å; I365-K369 WeakPolarHBondContact O-CB 3.18Å; I365-K369 WeakPolarHBondContact O-CG 3.41Å; I365-K369 PolarHBondContact O-N 3Å; K366-K369 WeakPolarHBondContact O-CB 3.41Å; K366-K369 PolarHBondContact O-N 2.59Å; H367-K369 PolarHBondContact O-N 2.8Å; K369-L372 PolarHBondContact O-N 3.46Å; K369-N373 VanDerWaalsContact O-CB 3.32Å; K369-N373 WeakPolarHBondContact O-CB 3.32Å; K369-N373 PolarHBondContact O-N 3.32Å; K369-L411 HydrophobicContact CG-CD1 4.22Å; K369-L411 HydrophobicContact CG-CD2 4.27Å |
| 370 | E | 77 | Confident | 68.6 | Low | 95 Ų | 95 | 75.2 Ų | 75.2 | 44% | 0.444 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -66 | -44.3 | 178.7 | -74.2 | 174.6 | -174.9 | 0 | 0 | 111.6 | K366 H367 N373 N374 | K366-E370 WeakPolarHBondContact CE-OE1 3.3Å; K366-E370 WeakPolarHBondContact O-CG 3.18Å; K366-E370 PolarHBondContact O-N 3.02Å; H367-E370 PolarHBondContact O-N 3.39Å; E370-N373 PolarHBondContact O-N 2.72Å; E370-N374 WeakPolarHBondContact O-CB 3.3Å; E370-N374 VanDerWaalsContact O-CG 3.25Å; E370-N374 PolarHBondContact O-N 2.56Å; E370-N374 PolarHBondContact O-ND2 3.24Å |
| 371 | L | 73.5 | Confident | 67.1 | Low | 43 Ų | 43 | 76.2 Ų | 76.2 | 23% | 0.225 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -57.3 | -49.6 | 173.7 | -80.7 | 175.4 | 0 | 0 | 0 | 111.5 | H367 N373 N374 M375 Y407 | H367-L371 VanDerWaalsContact CE1-CD1 3.43Å; H367-L371 WeakPolarHBondContact CE1-CD1 3.21Å; H367-L371 WeakPolarHBondContact O-CB 3.29Å; H367-L371 WeakPolarHBondContact O-CG 3.46Å; H367-L371 PolarHBondContact O-N 3Å; L371-N373 VanDerWaalsContact C-N 3.34Å; L371-N373 PolarHBondContact O-N 2.9Å; L371-N374 PolarHBondContact O-N 3.32Å; L371-M375 HydrophobicContact CB-CE 3.93Å; L371-M375 HydrophobicContact CD2-CE 4.49Å; L371-M375 VanDerWaalsContact O-CG 3.29Å; L371-M375 WeakPolarHBondContact O-CG 3.48Å; L371-M375 PolarHBondContact O-N 3Å; L371-Y407 HydrophobicContact CD1-CE1 4.33Å |
| 372 | L | 73 | Confident | 65.5 | Low | 20 Ų | 20 | 79.1 Ų | 79.1 | 11% | 0.105 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -61.3 | -40.7 | 177.7 | -80.8 | 161.1 | 0 | 0 | 0 | 112.1 | L368 K369 Q376 R404 L411 | L368-L372 WeakPolarHBondContact O-CB 3.46Å; L368-L372 WeakPolarHBondContact O-CD1 3.48Å; L368-L372 WeakPolarHBondContact O-CG 3.42Å; L368-L372 PolarHBondContact O-N 2.77Å; K369-L372 PolarHBondContact O-N 3.46Å; L372-Q376 WeakPolarHBondContact O-CG 3.48Å; L372-Q376 PolarHBondContact O-N 3.5Å; L372-Q376 VanDerWaalsContact O-N 3.16Å; L372-R404 HydrophobicContact CD2-CG 4.21Å; L372-L411 HydrophobicContact CD1-CB 4.49Å; L372-L411 HydrophobicContact CD1-CD2 3.87Å |
| 373 | N | 72.4 | Confident | 63.9 | Low | 84 Ų | 84 | 83.6 Ų | 83.6 | 45% | 0.449 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -69.3 | -43.2 | 179 | -165.2 | 12.9 | 0 | 0 | 0 | 112.2 | K369 E370 L371 M375 Q376 L377 | K369-N373 VanDerWaalsContact O-CB 3.32Å; K369-N373 WeakPolarHBondContact O-CB 3.32Å; K369-N373 PolarHBondContact O-N 3.32Å; E370-N373 PolarHBondContact O-N 2.72Å; L371-N373 VanDerWaalsContact C-N 3.34Å; L371-N373 PolarHBondContact O-N 2.9Å; N373-M375 VanDerWaalsContact C-N 3.32Å; N373-M375 PolarHBondContact O-N 3.01Å; N373-Q376 WeakPolarHBondContact O-CB 3.47Å; N373-Q376 PolarHBondContact O-N 3.19Å; N373-Q376 VanDerWaalsContact O-N 3.16Å; N373-L377 WeakPolarHBondContact O-CG 3.39Å; N373-L377 PolarHBondContact O-N 2.92Å |
| 374 | N | 72.4 | Confident | 62.1 | Low | 96 Ų | 96 | 88.7 Ų | 88.7 | 51% | 0.513 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63.1 | -39.3 | 176.6 | -73.2 | -18.6 | 0 | 0 | 0 | 111.7 | E370 L371 Q376 L377 T378 | E370-N374 WeakPolarHBondContact O-CB 3.3Å; E370-N374 VanDerWaalsContact O-CG 3.25Å; E370-N374 PolarHBondContact O-N 2.56Å; E370-N374 PolarHBondContact O-ND2 3.24Å; L371-N374 PolarHBondContact O-N 3.32Å; N374-Q376 VanDerWaalsContact C-N 3.34Å; N374-Q376 PolarHBondContact O-N 2.95Å; N374-L377 PolarHBondContact O-N 2.85Å; N374-T378 WeakPolarHBondContact O-CG2 3.35Å; N374-T378 PolarHBondContact O-N 3.01Å |
| 375 | M | 64.9 | Low | 60.4 | Low | 28 Ų | 28 | 95 Ų | 95 | 14% | 0.138 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -60.9 | -43 | 173.5 | -72.3 | -179.4 | -131.1 | 0 | 0 | 111.5 | L371 N373 T378 T379 L403 R404 Y407 | L371-M375 HydrophobicContact CB-CE 3.93Å; L371-M375 HydrophobicContact CD2-CE 4.49Å; L371-M375 VanDerWaalsContact O-CG 3.29Å; L371-M375 WeakPolarHBondContact O-CG 3.48Å; L371-M375 PolarHBondContact O-N 3Å; N373-M375 VanDerWaalsContact C-N 3.32Å; N373-M375 PolarHBondContact O-N 3.01Å; M375-T378 PolarHBondContact O-N 3.33Å; M375-T378 PolarHBondContact O-OG1 2.82Å; M375-T379 PolarHBondContact O-OG1 2.96Å; M375-L403 HydrophobicContact CE-CB 4.22Å; M375-L403 HydrophobicContact CE-CD2 4.13Å; M375-L403 HydrophobicContact SD-CB 4.17Å; M375-R404 HydrophobicContact SD-CB 4.3Å; M375-Y407 HydrophobicContact CE-CD2 3.99Å; M375-Y407 HydrophobicContact CE-CE2 4.41Å |
| 376 | Q | 61.7 | Low | 58.7 | Low | 114 Ų | 114 | 101.9 Ų | 101.9 | 53% | 0.533 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.1 | -40.1 | 177.1 | -72.3 | 174.5 | 4.8 | 0 | 0 | 113.2 | L372 N373 N374 T379 | L372-Q376 WeakPolarHBondContact O-CG 3.48Å; L372-Q376 PolarHBondContact O-N 3.5Å; L372-Q376 VanDerWaalsContact O-N 3.16Å; N373-Q376 WeakPolarHBondContact O-CB 3.47Å; N373-Q376 PolarHBondContact O-N 3.19Å; N373-Q376 VanDerWaalsContact O-N 3.16Å; N374-Q376 VanDerWaalsContact C-N 3.34Å; N374-Q376 PolarHBondContact O-N 2.95Å; Q376-T379 PolarHBondContact O-N 3.02Å |
| 377 | L | 58.2 | Low | 57.1 | Low | 106 Ų | 106 | 99 Ų | 99 | 56% | 0.555 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -67.4 | -35.1 | -179.8 | -73.9 | 164.5 | 0 | 0 | 0 | 112.8 | N373 N374 T379 G380 | N373-L377 WeakPolarHBondContact O-CG 3.39Å; N373-L377 PolarHBondContact O-N 2.92Å; N374-L377 PolarHBondContact O-N 2.85Å; L377-T379 VanDerWaalsContact C-N 3.28Å; L377-T379 PolarHBondContact O-N 2.92Å; L377-G380 PolarHBondContact O-N 3.42Å; L377-G380 VanDerWaalsContact O-N 3.13Å |
| 378 | T | 53 | Low | 55.4 | Low | 65 Ų | 65 | 104.7 Ų | 104.7 | 40% | 0.399 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -69 | -24.4 | 179.1 | 63.5 | 0 | 0 | 0 | 0 | 113.7 | N374 M375 G380 K400 | N374-T378 WeakPolarHBondContact O-CG2 3.35Å; N374-T378 PolarHBondContact O-N 3.01Å; M375-T378 PolarHBondContact O-N 3.33Å; M375-T378 PolarHBondContact O-OG1 2.82Å; T378-G380 VanDerWaalsContact C-N 3.27Å; T378-G380 PolarHBondContact O-N 3.44Å; T378-K400 PolarHBondContact OG1-NZ 3.33Å |
| 379 | T | 53.7 | Low | 54.1 | Low | 110 Ų | 110 | 111.3 Ų | 111.3 | 68% | 0.675 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -74.5 | -19.6 | 173.8 | -37.2 | 0 | 0 | 0 | 0 | 112 | M375 Q376 L377 | M375-T379 PolarHBondContact O-OG1 2.96Å; Q376-T379 PolarHBondContact O-N 3.02Å; L377-T379 VanDerWaalsContact C-N 3.28Å; L377-T379 PolarHBondContact O-N 2.92Å |
| 380 | G | 47.9 | Very low | 52.9 | Low | 57 Ų | 57 | 112.6 Ų | 112.6 | 59% | 0.588 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -87.4 | -18.3 | -169.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | L377 T378 | L377-G380 PolarHBondContact O-N 3.42Å; L377-G380 VanDerWaalsContact O-N 3.13Å; T378-G380 VanDerWaalsContact C-N 3.27Å; T378-G380 PolarHBondContact O-N 3.44Å |
| 381 | N | 41.2 | Very low | 51.6 | Low | 138 Ų | 138 | 115.5 Ų | 115.5 | 74% | 0.738 | 60% | 0.604 | S | S | * | * | trans | -130.8 | 19.9 | -165.4 | -89.2 | -15.2 | 0 | 0 | 0 | 116.9 | K383 | N381-K383 PolarHBondContact O-N 3.01Š| ||
| 382 | V | 38.7 | Very low | 50.3 | Low | 103 Ų | 103 | 120.3 Ų | 120.3 | 62% | 0.624 | 63% | 0.625 | S | S | * | * | trans | -78.4 | 79.5 | 164.8 | -172 | 0 | 0 | 0 | 0 | 108.8 | Y384 | V382-Y384 PolarHBondContact O-N 3.16Å; V382-Y384 VanDerWaalsContact O-N 3.09Å | ||
| 383 | K | 37.7 | Very low | 49.1 | Very low | 178 Ų | 178 | 124.7 Ų | 124.7 | 77% | 0.774 | 64% | 0.643 | S | S | * | * | trans | -62.3 | 109.6 | 159.8 | -75.8 | -177.2 | 178.8 | 177 | 0 | 107 | N381 F385 | N381-K383 PolarHBondContact O-N 3.01Å; K383-F385 PolarHBondContact O-N 3.24Å | ||
| 384 | Y | 38.7 | Very low | 48.1 | Very low | 222 Ų | 222 | 127.9 Ų | 127.9 | 87% | 0.871 | 66% | 0.656 | S | S | * | * | trans | -43.9 | 100.5 | 173.9 | -70.5 | -95.3 | 0 | 0 | 0 | 111.2 | V382 | V382-Y384 PolarHBondContact O-N 3.16Å; V382-Y384 VanDerWaalsContact O-N 3.09Å | ||
| 385 | F | 38.8 | Very low | 47.5 | Very low | 201 Ų | 201 | 128.7 Ų | 128.7 | 88% | 0.882 | 66% | 0.66 | S | S | * | * | trans | -95.3 | 125.1 | 154.4 | -97.8 | -89.3 | 0 | 0 | 0 | 107.5 | K383 | K383-F385 PolarHBondContact O-N 3.24Š| ||
| 386 | N | 39.1 | Very low | 47.2 | Very low | 161 Ų | 161 | 130.5 Ų | 130.5 | 86% | 0.861 | 67% | 0.673 | S | S | * | * | trans | -52.4 | 135.7 | -171.5 | -78.3 | -31.2 | 0 | 0 | 0 | 113.8 | ||||
| 387 | G | 40.7 | Very low | 47.3 | Very low | 69 Ų | 69 | 131.2 Ų | 131.2 | 71% | 0.711 | 68% | 0.676 | S | S | * | * | S | Bend | trans | 91.1 | 111.2 | 139.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 388 | K | 40.5 | Very low | 47.9 | Very low | 202 Ų | 202 | 129.4 Ų | 129.4 | 88% | 0.878 | 67% | 0.67 | S | S | * | * | S | Bend | trans | 77.9 | 81 | 161 | -54.5 | -179.3 | 177.4 | -179.4 | 0 | 115.7 | ||
| 389 | E | 40.8 | Very low | 48.6 | Very low | 140 Ų | 140 | 131.9 Ų | 131.9 | 65% | 0.654 | 68% | 0.676 | S | S | * | * | trans | 178.5 | 86.8 | 143.1 | -99.2 | 162.2 | -155.4 | 0 | 0 | 106.9 | K393 | E389-K393 WeakPolarHBondContact O-CD 3.46Å; E389-K393 WeakPolarHBondContact O-CE 3.36Å | ||
| 390 | N | 48 | Very low | 49 | Very low | 132 Ų | 132 | 130.7 Ų | 130.7 | 71% | 0.706 | 66% | 0.662 | S | S | * | * | trans | -101.9 | -14.3 | -179.5 | -83.5 | -5.2 | 0 | 0 | 0 | 113.1 | ||||
| 391 | I | 49.3 | Very low | 50.1 | Low | 157 Ų | 157 | 133 Ų | 133 | 81% | 0.805 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -84.5 | -31.6 | -171.4 | -58 | 177 | 0 | 0 | 0 | 111.7 | ||
| 392 | E | 45.8 | Very low | 51.5 | Low | 143 Ų | 143 | 133 Ų | 133 | 67% | 0.668 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -83 | -14.7 | 177.7 | -66.9 | -175.5 | 171.3 | 0 | 0 | 113.8 | T396 | E392-T396 WeakPolarHBondContact O-CG2 3.44Å; E392-T396 PolarHBondContact O-OG1 2.86Å |
| 393 | K | 47.1 | Very low | 52.7 | Low | 112 Ų | 112 | 131.5 Ų | 131.5 | 49% | 0.487 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -82.9 | -37.5 | -174.4 | -70.1 | -178.5 | -174.9 | 170.4 | 0 | 114.3 | E389 T396 E397 | E389-K393 WeakPolarHBondContact O-CD 3.46Å; E389-K393 WeakPolarHBondContact O-CE 3.36Å; K393-T396 WeakPolarHBondContact CA-OG1 3.39Å; K393-T396 PolarHBondContact O-N 2.93Å; K393-T396 PolarHBondContact O-OG1 3.02Å; K393-E397 PolarHBondContact O-N 2.86Å; K393-E397 VanDerWaalsContact O-N 3.08Å |
| 394 | E | 52.4 | Low | 54.2 | Low | 152 Ų | 152 | 128 Ų | 128 | 71% | 0.71 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -68.9 | -37.7 | 179.7 | -80.4 | -176.6 | 157.3 | 0 | 0 | 112 | T396 T398 | E394-T396 VanDerWaalsContact C-N 3.35Å; E394-T398 PolarHBondContact O-N 3.07Å; E394-T398 VanDerWaalsContact O-N 3.12Å; E394-T398 PolarHBondContact O-OG1 3.4Å |
| 395 | D | 60.1 | Low | 55.8 | Low | 112 Ų | 112 | 123.6 Ų | 123.6 | 60% | 0.599 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -67 | -39.7 | 178.4 | -141.9 | 4 | 0 | 0 | 0 | 110.7 | T398 E399 | D395-T398 PolarHBondContact O-OG1 3.02Å; D395-T398 VanDerWaalsContact O-OG1 3.06Å; D395-E399 WeakPolarHBondContact O-CG 3.23Å; D395-E399 PolarHBondContact O-N 3.42Å; D395-E399 VanDerWaalsContact O-N 3.09Å |
| 396 | T | 57.2 | Low | 57.3 | Low | 67 Ų | 67 | 118.7 Ų | 118.7 | 41% | 0.411 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -72.3 | -34.8 | 178.9 | 48.8 | 0 | 0 | 0 | 0 | 113.7 | E392 K393 E394 K400 | E392-T396 WeakPolarHBondContact O-CG2 3.44Å; E392-T396 PolarHBondContact O-OG1 2.86Å; K393-T396 WeakPolarHBondContact CA-OG1 3.39Å; K393-T396 PolarHBondContact O-N 2.93Å; K393-T396 PolarHBondContact O-OG1 3.02Å; E394-T396 VanDerWaalsContact C-N 3.35Å; T396-K400 VanDerWaalsContact O-CG 3.31Å; T396-K400 WeakPolarHBondContact O-CG 3.04Å; T396-K400 PolarHBondContact O-N 2.78Å |
| 397 | E | 64.3 | Low | 58.7 | Low | 128 Ų | 128 | 113.8 Ų | 113.8 | 60% | 0.598 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -71.3 | -40.3 | 175 | -77.1 | -168.5 | 161.9 | 0 | 0 | 112.6 | K393 K400 E401 | K393-E397 PolarHBondContact O-N 2.86Å; K393-E397 VanDerWaalsContact O-N 3.08Å; E397-K400 PolarHBondContact O-N 3.47Å; E397-E401 PolarHBondContact O-N 2.91Å |
| 398 | T | 70.2 | Confident | 60.2 | Low | 69 Ų | 69 | 115 Ų | 115 | 42% | 0.423 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -67 | -36.5 | 177.4 | 46.7 | 0 | 0 | 0 | 0 | 112.4 | E394 D395 K402 | E394-T398 PolarHBondContact O-N 3.07Å; E394-T398 VanDerWaalsContact O-N 3.12Å; E394-T398 PolarHBondContact O-OG1 3.4Å; D395-T398 PolarHBondContact O-OG1 3.02Å; D395-T398 VanDerWaalsContact O-OG1 3.06Å; T398-K402 WeakPolarHBondContact O-CG 3.31Å; T398-K402 PolarHBondContact O-N 3.21Å; T398-K402 VanDerWaalsContact O-N 3.09Å |
| 399 | E | 68.2 | Low | 61.8 | Low | 116 Ų | 116 | 109 Ų | 109 | 54% | 0.542 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.5 | -44.2 | 170.2 | -80.3 | -168.7 | 148.4 | 0 | 0 | 112.6 | D395 E401 K402 L403 | D395-E399 WeakPolarHBondContact O-CG 3.23Å; D395-E399 PolarHBondContact O-N 3.42Å; D395-E399 VanDerWaalsContact O-N 3.09Å; E399-E401 VanDerWaalsContact C-N 3.35Å; E399-E401 PolarHBondContact O-N 3.27Å; E399-K402 PolarHBondContact O-N 3.09Å; E399-L403 VanDerWaalsContact O-CD1 3.32Å; E399-L403 WeakPolarHBondContact O-CD1 3.39Å; E399-L403 PolarHBondContact O-N 2.92Å |
| 400 | K | 63.3 | Low | 63.2 | Low | 85 Ų | 85 | 107.8 Ų | 107.8 | 37% | 0.37 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.1 | -41.5 | 176.9 | -75.9 | 176.1 | -175.6 | -175.5 | 0 | 112.5 | T378 T396 E397 L403 R404 | T378-K400 PolarHBondContact OG1-NZ 3.33Å; T396-K400 VanDerWaalsContact O-CG 3.31Å; T396-K400 WeakPolarHBondContact O-CG 3.04Å; T396-K400 PolarHBondContact O-N 2.78Å; E397-K400 PolarHBondContact O-N 3.47Å; K400-L403 PolarHBondContact O-N 2.59Å; K400-R404 WeakPolarHBondContact O-CB 3.17Å; K400-R404 PolarHBondContact O-N 2.79Å |
| 401 | E | 69.9 | Low | 64.3 | Low | 106 Ų | 106 | 102.6 Ų | 102.6 | 50% | 0.495 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.7 | -37.8 | 179.1 | -162 | -177.1 | 151.6 | 0 | 0 | 112.1 | E397 E399 R404 K405 | E397-E401 PolarHBondContact O-N 2.91Å; E399-E401 VanDerWaalsContact C-N 3.35Å; E399-E401 PolarHBondContact O-N 3.27Å; E401-R404 PolarHBondContact O-N 2.81Å; E401-K405 PolarHBondContact O-N 3.43Å; E401-K405 WeakPolarHBondContact OE1-CE 3.41Å; E401-K405 IonicContact OE1-NZ 2.76Å; E401-K405 PolarHBondContact OE1-NZ 3.14Å |
| 402 | K | 71.4 | Confident | 65.3 | Low | 137 Ų | 137 | 98.6 Ų | 98.6 | 60% | 0.596 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -61 | -50.6 | 171.8 | -75.5 | 174.8 | -177.6 | 171 | 0 | 111.4 | T398 E399 R404 K405 D406 | T398-K402 WeakPolarHBondContact O-CG 3.31Å; T398-K402 PolarHBondContact O-N 3.21Å; T398-K402 VanDerWaalsContact O-N 3.09Å; E399-K402 PolarHBondContact O-N 3.09Å; K402-R404 VanDerWaalsContact C-N 3.28Å; K402-R404 PolarHBondContact O-N 3.1Å; K402-K405 PolarHBondContact O-N 3.04Å; K402-D406 PolarHBondContact O-N 3.18Å; K402-D406 VanDerWaalsContact O-N 3.07Å |
| 403 | L | 63.3 | Low | 66.8 | Low | 73 Ų | 73 | 94.4 Ų | 94.4 | 38% | 0.382 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -54.2 | -47.5 | 175 | -100.4 | 90.8 | 0 | 0 | 0 | 110.8 | M375 E399 K400 K405 D406 Y407 | M375-L403 HydrophobicContact CE-CB 4.22Å; M375-L403 HydrophobicContact CE-CD2 4.13Å; M375-L403 HydrophobicContact SD-CB 4.17Å; E399-L403 VanDerWaalsContact O-CD1 3.32Å; E399-L403 WeakPolarHBondContact O-CD1 3.39Å; E399-L403 PolarHBondContact O-N 2.92Å; K400-L403 PolarHBondContact O-N 2.59Å; L403-K405 PolarHBondContact O-N 3.42Å; L403-D406 PolarHBondContact O-N 3.31Å; L403-D406 VanDerWaalsContact O-N 3.13Å; L403-Y407 HydrophobicContact CB-CD2 4.19Å; L403-Y407 HydrophobicContact CB-CE2 4.14Å; L403-Y407 HydrophobicContact CD2-CD2 4.42Å; L403-Y407 HydrophobicContact CD2-CE2 3.69Å; L403-Y407 HydrophobicContact CG-CD2 4.41Å; L403-Y407 HydrophobicContact CG-CE2 3.85Å; L403-Y407 WeakPolarHBondContact O-CD2 3.43Å; L403-Y407 PolarHBondContact O-N 2.88Å |
| 404 | R | 69.2 | Low | 67.9 | Low | 104 Ų | 104 | 90.7 Ų | 90.7 | 39% | 0.392 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -58.7 | -47.4 | 179.9 | -175.3 | -179 | 167.7 | -178.4 | 2.2 | 112.2 | L372 M375 K400 E401 K402 D406 Y407 E408 | L372-R404 HydrophobicContact CD2-CG 4.21Å; M375-R404 HydrophobicContact SD-CB 4.3Å; K400-R404 WeakPolarHBondContact O-CB 3.17Å; K400-R404 PolarHBondContact O-N 2.79Å; E401-R404 PolarHBondContact O-N 2.81Å; K402-R404 VanDerWaalsContact C-N 3.28Å; K402-R404 PolarHBondContact O-N 3.1Å; R404-D406 PolarHBondContact O-N 2.94Å; R404-Y407 PolarHBondContact O-N 3.37Å; R404-E408 IonicContact CZ-OE2 3.01Å; R404-E408 IonicContact NE-OE1 2.7Å; R404-E408 IonicContact NE-OE2 2.9Å; R404-E408 PolarHBondContact NE-OE2 2.94Å; R404-E408 IonicContact NH2-OE1 3.17Å; R404-E408 PolarHBondContact NH2-OE1 3.37Å; R404-E408 IonicContact NH2-OE2 2.66Å; R404-E408 VanDerWaalsContact O-CB 3.26Å; R404-E408 WeakPolarHBondContact O-CB 3.37Å; R404-E408 PolarHBondContact O-N 3.47Å |
| 405 | K | 71.6 | Confident | 68.9 | Low | 129 Ų | 129 | 88.1 Ų | 88.1 | 56% | 0.561 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -60.6 | -31.1 | 177.3 | -77.2 | 177.5 | -175.5 | 154.7 | 0 | 112.6 | E401 K402 L403 P409 | E401-K405 PolarHBondContact O-N 3.43Å; E401-K405 WeakPolarHBondContact OE1-CE 3.41Å; E401-K405 IonicContact OE1-NZ 2.76Å; E401-K405 PolarHBondContact OE1-NZ 3.14Å; K402-K405 PolarHBondContact O-N 3.04Å; L403-K405 PolarHBondContact O-N 3.42Å; K405-P409 WeakPolarHBondContact O-CD 3.36Å; K405-P409 WeakPolarHBondContact O-CG 3.04Å |
| 406 | D | 70.1 | Confident | 69.8 | Low | 99 Ų | 99 | 85.6 Ų | 85.6 | 53% | 0.529 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -77.3 | -34.2 | 177.1 | -69.4 | -14.2 | 0 | 0 | 0 | 113.1 | K402 L403 R404 K410 | K402-D406 PolarHBondContact O-N 3.18Å; K402-D406 VanDerWaalsContact O-N 3.07Å; L403-D406 PolarHBondContact O-N 3.31Å; L403-D406 VanDerWaalsContact O-N 3.13Å; R404-D406 PolarHBondContact O-N 2.94Å; D406-K410 WeakPolarHBondContact O-CD 3.49Å; D406-K410 WeakPolarHBondContact O-CG 3.45Å |
| 407 | Y | 69.2 | Low | 70.7 | Confident | 58 Ų | 58 | 87.1 Ų | 87.1 | 23% | 0.227 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -91 | -32.5 | -175.7 | -71.1 | -63.5 | 0 | 0 | 0 | 114.6 | L368 L371 M375 L403 R404 K410 L411 | L368-Y407 HydrophobicContact CD2-CD1 3.21Å; L368-Y407 HydrophobicContact CD2-CE1 3.8Å; L368-Y407 HydrophobicContact CD2-CG 4.07Å; L371-Y407 HydrophobicContact CD1-CE1 4.33Å; M375-Y407 HydrophobicContact CE-CD2 3.99Å; M375-Y407 HydrophobicContact CE-CE2 4.41Å; L403-Y407 HydrophobicContact CB-CD2 4.19Å; L403-Y407 HydrophobicContact CB-CE2 4.14Å; L403-Y407 HydrophobicContact CD2-CD2 4.42Å; L403-Y407 HydrophobicContact CD2-CE2 3.69Å; L403-Y407 HydrophobicContact CG-CD2 4.41Å; L403-Y407 HydrophobicContact CG-CE2 3.85Å; L403-Y407 WeakPolarHBondContact O-CD2 3.43Å; L403-Y407 PolarHBondContact O-N 2.88Å; R404-Y407 PolarHBondContact O-N 3.37Å; Y407-K410 HydrophobicContact CD1-CD 4.33Å; Y407-K410 PolarHBondContact O-N 2.95Å; Y407-K410 VanDerWaalsContact O-N 3.12Å; Y407-L411 PolarHBondContact O-N 2.94Å |
| 408 | E | 73.3 | Confident | 71 | Confident | 94 Ų | 94 | 83.7 Ų | 83.7 | 44% | 0.439 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -39.5 | -179.5 | -161.9 | 157.4 | -164.5 | 0 | 0 | 113.8 | R404 P412 | R404-E408 IonicContact CZ-OE2 3.01Å; R404-E408 IonicContact NE-OE1 2.7Å; R404-E408 IonicContact NE-OE2 2.9Å; R404-E408 PolarHBondContact NE-OE2 2.94Å; R404-E408 IonicContact NH2-OE1 3.17Å; R404-E408 PolarHBondContact NH2-OE1 3.37Å; R404-E408 IonicContact NH2-OE2 2.66Å; R404-E408 VanDerWaalsContact O-CB 3.26Å; R404-E408 WeakPolarHBondContact O-CB 3.37Å; R404-E408 PolarHBondContact O-N 3.47Å; E408-P412 WeakPolarHBondContact O-CD 3.23Å |
| 409 | P | 72.1 | Confident | 71.4 | Confident | 77 Ų | 77 | 83.5 Ų | 83.5 | 50% | 0.5 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -23.7 | 173.1 | 31 | -35 | 0 | 0 | 0 | 114 | K405 P412 A413 | K405-P409 WeakPolarHBondContact O-CD 3.36Å; K405-P409 WeakPolarHBondContact O-CG 3.04Å; P409-P412 VanDerWaalsContact O-CD 3.29Å; P409-P412 WeakPolarHBondContact O-CD 3.19Å; P409-P412 VanDerWaalsContact O-CG 3.31Å; P409-P412 WeakPolarHBondContact O-CG 3.39Å; P409-A413 PolarHBondContact O-N 2.56Å |
| 410 | K | 72 | Confident | 71.8 | Confident | 114 Ų | 114 | 80.5 Ų | 80.5 | 50% | 0.496 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -68.5 | -38.5 | 178 | -74.4 | 178.6 | -178 | 177 | 0 | 112 | L368 D406 Y407 A413 M414 | L368-K410 HydrophobicContact CD1-CB 4.49Å; D406-K410 WeakPolarHBondContact O-CD 3.49Å; D406-K410 WeakPolarHBondContact O-CG 3.45Å; Y407-K410 HydrophobicContact CD1-CD 4.33Å; Y407-K410 PolarHBondContact O-N 2.95Å; Y407-K410 VanDerWaalsContact O-N 3.12Å; K410-A413 PolarHBondContact O-N 3.45Å; K410-M414 VanDerWaalsContact O-CB 3.31Å; K410-M414 WeakPolarHBondContact O-CB 3.47Å; K410-M414 PolarHBondContact O-N 3.3Å |
| 411 | L | 71.3 | Confident | 72.3 | Confident | 23 Ų | 23 | 78.1 Ų | 78.1 | 12% | 0.12 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -58.2 | -50.6 | -180 | -177.6 | 64.3 | 0 | 0 | 0 | 114.1 | I365 L368 K369 L372 Y407 M414 K415 | I365-L411 HydrophobicContact CB-CD1 4.48Å; I365-L411 HydrophobicContact CG1-CD1 4.48Å; I365-L411 HydrophobicContact CG2-CD1 4.08Å; L368-L411 HydrophobicContact CB-CD1 4.02Å; L368-L411 HydrophobicContact CD1-CD1 4.43Å; K369-L411 HydrophobicContact CG-CD1 4.22Å; K369-L411 HydrophobicContact CG-CD2 4.27Å; L372-L411 HydrophobicContact CD1-CB 4.49Å; L372-L411 HydrophobicContact CD1-CD2 3.87Å; Y407-L411 PolarHBondContact O-N 2.94Å; L411-M414 PolarHBondContact O-N 2.74Å; L411-K415 WeakPolarHBondContact O-CG 3.23Å; L411-K415 PolarHBondContact O-N 2.82Å |
| 412 | P | 69.8 | Low | 72.4 | Confident | 73 Ų | 73 | 73.9 Ų | 73.9 | 47% | 0.474 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -67.3 | -37.7 | 176.8 | 24.9 | -33.2 | 0 | 0 | 0 | 112.7 | E408 P409 M414 K415 A416 | E408-P412 WeakPolarHBondContact O-CD 3.23Å; P409-P412 VanDerWaalsContact O-CD 3.29Å; P409-P412 WeakPolarHBondContact O-CD 3.19Å; P409-P412 VanDerWaalsContact O-CG 3.31Å; P409-P412 WeakPolarHBondContact O-CG 3.39Å; P412-M414 VanDerWaalsContact C-N 3.33Å; P412-M414 PolarHBondContact O-N 3.27Å; P412-K415 PolarHBondContact O-N 3.22Å; P412-A416 PolarHBondContact O-N 2.8Å |
| 413 | A | 76 | Confident | 72.6 | Confident | 55 Ų | 55 | 70.8 Ų | 70.8 | 46% | 0.455 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60.2 | -44.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | P409 K410 A416 Q417 | P409-A413 PolarHBondContact O-N 2.56Å; K410-A413 PolarHBondContact O-N 3.45Å; A413-A416 WeakPolarHBondContact O-CB 3.22Å; A413-A416 PolarHBondContact O-N 2.92Å; A413-Q417 PolarHBondContact O-N 3.3Å |
| 414 | M | 71.2 | Confident | 73 | Confident | 34 Ų | 34 | 71.4 Ų | 71.4 | 17% | 0.167 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -62.9 | -42.7 | 175.9 | -162.4 | 77.1 | 107.2 | 0 | 0 | 112.6 | Y361 E364 I365 L368 K410 L411 P412 A416 Q417 Y418 | Y361-M414 HydrophobicContact CD1-CG 4.25Å; Y361-M414 HydrophobicContact CD1-SD 3.6Å; Y361-M414 HydrophobicContact CE1-SD 3.97Å; E364-M414 HydrophobicContact CB-CE 3.55Å; E364-M414 HydrophobicContact CG-CE 2.98Å; I365-M414 HydrophobicContact CD1-CG 4.22Å; I365-M414 HydrophobicContact CG1-CB 4.11Å; I365-M414 HydrophobicContact CG1-CG 3.69Å; L368-M414 HydrophobicContact CD1-CE 4.37Å; K410-M414 VanDerWaalsContact O-CB 3.31Å; K410-M414 WeakPolarHBondContact O-CB 3.47Å; K410-M414 PolarHBondContact O-N 3.3Å; L411-M414 PolarHBondContact O-N 2.74Å; P412-M414 VanDerWaalsContact C-N 3.33Å; P412-M414 PolarHBondContact O-N 3.27Å; M414-A416 VanDerWaalsContact C-N 3.3Å; M414-A416 PolarHBondContact O-N 3.16Å; M414-Q417 PolarHBondContact O-N 2.79Å; M414-Y418 WeakPolarHBondContact O-CB 3.41Å; M414-Y418 PolarHBondContact O-N 3.32Å |
| 415 | K | 72.4 | Confident | 73 | Confident | 97 Ų | 97 | 67 Ų | 67 | 42% | 0.422 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.1 | -36.2 | 174.9 | -76.3 | 179 | 179 | -179.1 | 0 | 112.4 | I365 L411 P412 S419 | I365-K415 HydrophobicContact CD1-CG 3.93Å; I365-K415 HydrophobicContact CG1-CG 4.29Å; L411-K415 WeakPolarHBondContact O-CG 3.23Å; L411-K415 PolarHBondContact O-N 2.82Å; P412-K415 PolarHBondContact O-N 3.22Å; K415-S419 WeakPolarHBondContact O-CB 3.42Å; K415-S419 PolarHBondContact O-N 2.87Å |
| 416 | A | 79 | Confident | 72.9 | Confident | 60 Ų | 60 | 63 Ų | 63 | 50% | 0.496 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -67.1 | -44.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | P412 A413 M414 S419 A420 | P412-A416 PolarHBondContact O-N 2.8Å; A413-A416 WeakPolarHBondContact O-CB 3.22Å; A413-A416 PolarHBondContact O-N 2.92Å; M414-A416 VanDerWaalsContact C-N 3.3Å; M414-A416 PolarHBondContact O-N 3.16Å; A416-S419 PolarHBondContact O-N 3.47Å; A416-A420 PolarHBondContact O-N 2.98Å |
| 417 | Q | 76 | Confident | 72.9 | Confident | 98 Ų | 98 | 61.5 Ų | 61.5 | 46% | 0.458 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.7 | -46 | 173.7 | -72.2 | -178.8 | -12.9 | 0 | 0 | 111.9 | Y361 A413 M414 S419 A420 E421 | Y361-Q417 HydrophobicContact CE1-CB 4.26Å; Y361-Q417 HydrophobicContact CE2-CB 4.19Å; A413-Q417 PolarHBondContact O-N 3.3Å; M414-Q417 PolarHBondContact O-N 2.79Å; Q417-S419 VanDerWaalsContact C-N 3.33Å; Q417-S419 PolarHBondContact O-N 2.94Å; Q417-A420 PolarHBondContact O-N 3.11Å; Q417-E421 PolarHBondContact O-N 2.87Å |
| 418 | Y | 72 | Confident | 72.5 | Confident | 57 Ų | 57 | 62.7 Ų | 62.7 | 22% | 0.224 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -55.1 | -48.2 | 173.5 | 177.5 | -97.4 | 0 | 0 | 0 | 111.7 | L358 Q362 I365 M414 A420 E421 T422 | L358-Y418 HydrophobicContact CB-CE2 4.26Å; L358-Y418 HydrophobicContact CD2-CD2 3.75Å; L358-Y418 HydrophobicContact CD2-CE2 3.72Å; Q362-Y418 HydrophobicContact CG-CD2 4.2Å; Q362-Y418 HydrophobicContact CG-CE2 3.51Å; Q362-Y418 PolarHBondContact NE2-OH 3.06Å; I365-Y418 HydrophobicContact CD1-CG 4.36Å; M414-Y418 WeakPolarHBondContact O-CB 3.41Å; M414-Y418 PolarHBondContact O-N 3.32Å; Y418-A420 PolarHBondContact O-N 3.4Å; Y418-E421 PolarHBondContact O-N 2.86Å; Y418-T422 HydrophobicContact CD1-CG2 4.36Å; Y418-T422 HydrophobicContact CE1-CG2 3.94Å; Y418-T422 HydrophobicContact CE2-CG2 4.28Å; Y418-T422 WeakPolarHBondContact O-CG2 3.3Å; Y418-T422 PolarHBondContact O-N 3Å; Y418-T422 PolarHBondContact O-OG1 2.85Å |
| 419 | S | 77.2 | Confident | 72 | Confident | 65 Ų | 65 | 61.5 Ų | 61.5 | 46% | 0.455 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.5 | -40.2 | 179.3 | -169.5 | 0 | 0 | 0 | 0 | 112.7 | K415 A416 Q417 T422 V423 | K415-S419 WeakPolarHBondContact O-CB 3.42Å; K415-S419 PolarHBondContact O-N 2.87Å; A416-S419 PolarHBondContact O-N 3.47Å; Q417-S419 VanDerWaalsContact C-N 3.33Å; Q417-S419 PolarHBondContact O-N 2.94Å; S419-T422 WeakPolarHBondContact CA-OG1 3.16Å; S419-T422 PolarHBondContact O-N 3Å; S419-T422 PolarHBondContact O-OG1 3.3Å; S419-V423 WeakPolarHBondContact O-CG2 3.44Å; S419-V423 PolarHBondContact O-N 2.9Å |
| 420 | A | 78 | Confident | 71.9 | Confident | 52 Ų | 52 | 63.5 Ų | 63.5 | 43% | 0.43 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.4 | -49.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | A416 Q417 Y418 T422 V423 D424 | A416-A420 PolarHBondContact O-N 2.98Å; Q417-A420 PolarHBondContact O-N 3.11Å; Y418-A420 PolarHBondContact O-N 3.4Å; A420-T422 VanDerWaalsContact C-N 3.27Å; A420-T422 PolarHBondContact O-N 2.82Å; A420-V423 PolarHBondContact O-N 2.95Å; A420-V423 VanDerWaalsContact O-N 3.09Å; A420-D424 PolarHBondContact O-N 3.29Å |
| 421 | E | 73.9 | Confident | 71.4 | Confident | 36 Ų | 36 | 63.3 Ų | 63.3 | 17% | 0.168 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.8 | -34.4 | 180 | -165.8 | 62.7 | -140.4 | 0 | 0 | 112.1 | K354 L357 L358 Y361 Q417 Y418 K425 | K354-E421 WeakPolarHBondContact CE-OE1 3.34Å; K354-E421 IonicContact NZ-OE1 3.7Å; L357-E421 HydrophobicContact CD2-CG 3.95Å; L357-E421 HydrophobicContact CG-CG 4.5Å; L358-E421 HydrophobicContact CD2-CB 3.9Å; L358-E421 HydrophobicContact CD2-CG 4.01Å; L358-E421 HydrophobicContact CG-CG 4.21Å; Y361-E421 HydrophobicContact CE2-CB 4.41Å; Q417-E421 PolarHBondContact O-N 2.87Å; Y418-E421 PolarHBondContact O-N 2.86Å; E421-K425 PolarHBondContact O-N 3.19Å |
| 422 | T | 71.8 | Confident | 70.8 | Confident | 16 Ų | 16 | 66.6 Ų | 66.6 | 10% | 0.098 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63.3 | -45.4 | 173.5 | 55.6 | 0 | 0 | 0 | 0 | 112.1 | Y230 L358 Y418 S419 A420 D424 K425 V426 | Y230-T422 HydrophobicContact CE2-CG2 3.96Å; Y230-T422 VanDerWaalsContact CZ-O 3.3Å; Y230-T422 PolarHBondContact OH-O 3.36Å; L358-T422 HydrophobicContact CD1-CG2 4.3Å; L358-T422 HydrophobicContact CD2-CG2 3.49Å; L358-T422 VanDerWaalsContact CD2-CG2 3.49Å; Y418-T422 HydrophobicContact CD1-CG2 4.36Å; Y418-T422 HydrophobicContact CE1-CG2 3.94Å; Y418-T422 HydrophobicContact CE2-CG2 4.28Å; Y418-T422 WeakPolarHBondContact O-CG2 3.3Å; Y418-T422 PolarHBondContact O-N 3Å; Y418-T422 PolarHBondContact O-OG1 2.85Å; S419-T422 WeakPolarHBondContact CA-OG1 3.16Å; S419-T422 PolarHBondContact O-N 3Å; S419-T422 PolarHBondContact O-OG1 3.3Å; A420-T422 VanDerWaalsContact C-N 3.27Å; A420-T422 PolarHBondContact O-N 2.82Å; T422-D424 PolarHBondContact O-N 3.45Å; T422-K425 WeakPolarHBondContact O-CB 3.43Å; T422-K425 PolarHBondContact O-N 3.37Å; T422-V426 PolarHBondContact O-N 2.82Å; T422-V426 VanDerWaalsContact O-N 3.14Å |
| 423 | V | 76.3 | Confident | 70.3 | Confident | 72 Ų | 72 | 66.8 Ų | 66.8 | 44% | 0.436 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.4 | -45.3 | 178.2 | 174.7 | 0 | 0 | 0 | 0 | 110.5 | S419 A420 K425 V426 D427 | S419-V423 WeakPolarHBondContact O-CG2 3.44Å; S419-V423 PolarHBondContact O-N 2.9Å; A420-V423 PolarHBondContact O-N 2.95Å; A420-V423 VanDerWaalsContact O-N 3.09Å; V423-K425 PolarHBondContact O-N 3.5Å; V423-V426 WeakPolarHBondContact O-CB 3.48Å; V423-V426 PolarHBondContact O-N 2.86Å; V423-D427 PolarHBondContact O-N 3.34Å; V423-D427 VanDerWaalsContact O-N 3.12Å |
| 424 | D | 71.6 | Confident | 69.6 | Low | 86 Ų | 86 | 69.1 Ų | 69.1 | 46% | 0.46 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.4 | -29.3 | 177.6 | -74.2 | -4.2 | 0 | 0 | 0 | 112.8 | K354 A420 T422 M428 | K354-D424 PolarHBondContact NZ-O 3.41Å; A420-D424 PolarHBondContact O-N 3.29Å; T422-D424 PolarHBondContact O-N 3.45Å; D424-M428 PolarHBondContact O-N 3.08Å |
| 425 | K | 67.6 | Low | 68.5 | Low | 12 Ų | 12 | 71.5 Ų | 71.5 | 5% | 0.052 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -71.4 | -40.3 | 172.4 | -170 | 179.4 | 177.5 | -172 | 0 | 111.8 | Y230 N231 K354 D355 L358 E421 T422 V423 L429 | Y230-K425 HydrophobicContact CD1-CB 4.23Å; Y230-K425 HydrophobicContact CD1-CD 3.68Å; Y230-K425 HydrophobicContact CD1-CG 3.86Å; Y230-K425 HydrophobicContact CE1-CB 4.06Å; Y230-K425 HydrophobicContact CE1-CD 4.34Å; Y230-K425 HydrophobicContact CE1-CG 4.2Å; Y230-K425 HydrophobicContact CG-CD 3.81Å; Y230-K425 HydrophobicContact CG-CG 4.48Å; N231-K425 PolarHBondContact O-NZ 2.9Å; K354-K425 HydrophobicContact CD-CB 4.28Å; K354-K425 HydrophobicContact CD-CG 4.41Å; D355-K425 VanDerWaalsContact CG-NZ 3.25Å; D355-K425 IonicContact OD1-NZ 3.3Å; D355-K425 PolarHBondContact OD1-NZ 2.94Å; D355-K425 IonicContact OD2-NZ 3.95Å; D355-K425 PolarHBondContact OD2-NZ 3.04Å; L358-K425 HydrophobicContact CD1-CD 4.05Å; E421-K425 PolarHBondContact O-N 3.19Å; T422-K425 WeakPolarHBondContact O-CB 3.43Å; T422-K425 PolarHBondContact O-N 3.37Å; V423-K425 PolarHBondContact O-N 3.5Å; K425-L429 HydrophobicContact CG-CD1 4.44Å; K425-L429 WeakPolarHBondContact O-CG 3.45Å; K425-L429 PolarHBondContact O-N 3.37Å |
| 426 | V | 70.3 | Confident | 67.4 | Low | 44 Ų | 44 | 73.3 Ų | 73.3 | 27% | 0.267 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -58.4 | -50.5 | 176.4 | -178.6 | 0 | 0 | 0 | 0 | 110.4 | Y230 T422 V423 M428 L429 K430 | Y230-V426 HydrophobicContact CE1-CB 4.25Å; Y230-V426 HydrophobicContact CE1-CG2 3.35Å; Y230-V426 WeakPolarHBondContact OH-CG2 3.33Å; T422-V426 PolarHBondContact O-N 2.82Å; T422-V426 VanDerWaalsContact O-N 3.14Å; V423-V426 WeakPolarHBondContact O-CB 3.48Å; V423-V426 PolarHBondContact O-N 2.86Å; V426-M428 VanDerWaalsContact C-N 3.33Å; V426-M428 PolarHBondContact O-N 2.84Å; V426-L429 PolarHBondContact O-N 2.84Å; V426-L429 VanDerWaalsContact O-N 3.17Å; V426-K430 HydrophobicContact CG1-CD 4.36Å; V426-K430 PolarHBondContact O-N 2.9Å |
| 427 | D | 70 | Confident | 66.7 | Low | 69 Ų | 69 | 76.4 Ų | 76.4 | 37% | 0.369 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -68 | -37.4 | -171.2 | -70.3 | -22 | 0 | 0 | 0 | 111.1 | V423 L429 K430 D431 | V423-D427 PolarHBondContact O-N 3.34Å; V423-D427 VanDerWaalsContact O-N 3.12Å; D427-L429 PolarHBondContact O-N 2.97Å; D427-K430 WeakPolarHBondContact O-CB 3.36Å; D427-K430 PolarHBondContact O-N 2.91Å; D427-K430 IonicContact OD1-NZ 2.82Å; D427-K430 PolarHBondContact OD1-NZ 2.82Å; D427-D431 PolarHBondContact O-N 2.92Å |
| 428 | M | 60.9 | Low | 66.1 | Low | 83 Ų | 83 | 76.4 Ų | 76.4 | 41% | 0.409 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.9 | -42.4 | 171.2 | -170.1 | -151.7 | -71.4 | 0 | 0 | 112.7 | K354 D424 V426 K430 D431 I432 | K354-M428 HydrophobicContact CD-CE 3.82Å; D424-M428 PolarHBondContact O-N 3.08Å; V426-M428 VanDerWaalsContact C-N 3.33Å; V426-M428 PolarHBondContact O-N 2.84Å; M428-K430 VanDerWaalsContact C-N 3.31Å; M428-K430 PolarHBondContact O-N 2.98Å; M428-D431 PolarHBondContact O-N 3.09Å; M428-I432 HydrophobicContact CG-CD1 4.02Å; M428-I432 HydrophobicContact CG-CG1 4.5Å; M428-I432 WeakPolarHBondContact O-CG1 3.27Å; M428-I432 PolarHBondContact O-N 3.3Å; M428-I432 HydrophobicContact SD-CD1 4.02Å |
| 429 | L | 62.7 | Low | 64.8 | Low | 69 Ų | 69 | 79.7 Ų | 79.7 | 36% | 0.361 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -65.2 | -35.4 | 178.5 | -74.1 | 171.6 | 0 | 0 | 0 | 112.1 | Y230 K425 V426 D427 T433 | Y230-L429 HydrophobicContact CD1-CD1 4.15Å; K425-L429 HydrophobicContact CG-CD1 4.44Å; K425-L429 WeakPolarHBondContact O-CG 3.45Å; K425-L429 PolarHBondContact O-N 3.37Å; V426-L429 PolarHBondContact O-N 2.84Å; V426-L429 VanDerWaalsContact O-N 3.17Å; D427-L429 PolarHBondContact O-N 2.97Å; L429-T433 WeakPolarHBondContact O-CB 3.22Å; L429-T433 PolarHBondContact O-N 3.39Å; L429-T433 PolarHBondContact O-OG1 3.07Å |
| 430 | K | 69.2 | Low | 63.8 | Low | 119 Ų | 119 | 80.3 Ų | 80.3 | 52% | 0.517 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64.3 | -46.5 | 172 | -67.7 | 173.9 | -170.8 | 146.3 | 0 | 110.9 | V426 D427 M428 I432 T433 H434 | V426-K430 HydrophobicContact CG1-CD 4.36Å; V426-K430 PolarHBondContact O-N 2.9Å; D427-K430 WeakPolarHBondContact O-CB 3.36Å; D427-K430 PolarHBondContact O-N 2.91Å; D427-K430 IonicContact OD1-NZ 2.82Å; D427-K430 PolarHBondContact OD1-NZ 2.82Å; M428-K430 VanDerWaalsContact C-N 3.31Å; M428-K430 PolarHBondContact O-N 2.98Å; K430-I432 VanDerWaalsContact C-N 3.34Å; K430-I432 PolarHBondContact O-N 3.13Å; K430-T433 PolarHBondContact O-N 3.48Å; K430-H434 WeakPolarHBondContact O-CB 3.33Å; K430-H434 PolarHBondContact O-N 3.42Å |
| 431 | D | 61.9 | Low | 63.2 | Low | 109 Ų | 109 | 80.8 Ų | 80.8 | 58% | 0.583 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -59.6 | -44.7 | 178.5 | -72.7 | -11.4 | 0 | 0 | 0 | 111.3 | D427 M428 T433 H434 L435 | D427-D431 PolarHBondContact O-N 2.92Å; M428-D431 PolarHBondContact O-N 3.09Å; D431-T433 PolarHBondContact O-N 2.88Å; D431-H434 PolarHBondContact O-N 3.44Å; D431-L435 WeakPolarHBondContact O-CB 3.21Å; D431-L435 PolarHBondContact O-N 3.47Å |
| 432 | I | 58.5 | Low | 62.5 | Low | 93 Ų | 93 | 86 Ų | 86 | 48% | 0.477 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -61.9 | -43.2 | 175.9 | -70.2 | 168.2 | 0 | 0 | 0 | 111.3 | M428 K430 L435 K436 | M428-I432 HydrophobicContact CG-CD1 4.02Å; M428-I432 HydrophobicContact CG-CG1 4.5Å; M428-I432 WeakPolarHBondContact O-CG1 3.27Å; M428-I432 PolarHBondContact O-N 3.3Å; M428-I432 HydrophobicContact SD-CD1 4.02Å; K430-I432 VanDerWaalsContact C-N 3.34Å; K430-I432 PolarHBondContact O-N 3.13Å; I432-L435 PolarHBondContact O-N 3.21Å; I432-K436 WeakPolarHBondContact O-CB 3.08Å; I432-K436 PolarHBondContact O-N 3.38Å |
| 433 | T | 60.1 | Low | 61.3 | Low | 76 Ų | 76 | 88.3 Ų | 88.3 | 47% | 0.466 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -64.9 | -46.6 | 179.8 | -54.4 | 0 | 0 | 0 | 0 | 110.9 | L429 K430 D431 L435 K436 E437 | L429-T433 WeakPolarHBondContact O-CB 3.22Å; L429-T433 PolarHBondContact O-N 3.39Å; L429-T433 PolarHBondContact O-OG1 3.07Å; K430-T433 PolarHBondContact O-N 3.48Å; D431-T433 PolarHBondContact O-N 2.88Å; T433-L435 VanDerWaalsContact C-N 3.34Å; T433-L435 PolarHBondContact O-N 3.32Å; T433-K436 WeakPolarHBondContact O-CB 3.15Å; T433-K436 PolarHBondContact O-N 2.75Å; T433-E437 WeakPolarHBondContact O-CG 3.33Å; T433-E437 PolarHBondContact O-N 3.15Å; T433-E437 VanDerWaalsContact O-N 3.09Å |
| 434 | H | 60.4 | Low | 60.6 | Low | 105 Ų | 105 | 89.7 Ų | 89.7 | 49% | 0.486 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62 | -40.3 | 176.5 | -178.6 | -103.8 | 0 | 0 | 0 | 111.9 | K430 D431 K436 E437 L438 | K430-H434 WeakPolarHBondContact O-CB 3.33Å; K430-H434 PolarHBondContact O-N 3.42Å; D431-H434 PolarHBondContact O-N 3.44Å; H434-K436 VanDerWaalsContact C-N 3.34Å; H434-K436 PolarHBondContact O-N 3.19Å; H434-E437 PolarHBondContact O-N 3.17Å; H434-L438 WeakPolarHBondContact O-CG 3.43Å; H434-L438 PolarHBondContact O-N 3.37Å; H434-L438 VanDerWaalsContact O-N 3.1Å |
| 435 | L | 48.2 | Very low | 59.9 | Low | 83 Ų | 83 | 91 Ų | 91 | 44% | 0.435 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.4 | -41.1 | 175 | -120.8 | 71.4 | 0 | 0 | 0 | 112.3 | D431 I432 T433 L438 Y439 L506 | D431-L435 WeakPolarHBondContact O-CB 3.21Å; D431-L435 PolarHBondContact O-N 3.47Å; I432-L435 PolarHBondContact O-N 3.21Å; T433-L435 VanDerWaalsContact C-N 3.34Å; T433-L435 PolarHBondContact O-N 3.32Å; L435-L438 PolarHBondContact O-N 3.42Å; L435-Y439 WeakPolarHBondContact O-CB 3.42Å; L435-Y439 PolarHBondContact O-N 2.88Å; L435-L506 HydrophobicContact CD1-CD2 4.49Å |
| 436 | K | 49 | Very low | 59 | Low | 135 Ų | 135 | 95.3 Ų | 95.3 | 59% | 0.587 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -63.4 | -42.4 | 178.4 | -169.5 | 177.6 | 179.6 | -179.9 | 0 | 111.6 | I432 T433 H434 Y439 D440 | I432-K436 WeakPolarHBondContact O-CB 3.08Å; I432-K436 PolarHBondContact O-N 3.38Å; T433-K436 WeakPolarHBondContact O-CB 3.15Å; T433-K436 PolarHBondContact O-N 2.75Å; H434-K436 VanDerWaalsContact C-N 3.34Å; H434-K436 PolarHBondContact O-N 3.19Å; K436-Y439 PolarHBondContact O-N 3.32Å; K436-D440 WeakPolarHBondContact O-CB 3.13Å; K436-D440 PolarHBondContact O-N 2.83Å |
| 437 | E | 66.2 | Low | 57.7 | Low | 125 Ų | 125 | 97.3 Ų | 97.3 | 58% | 0.584 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.2 | -42.9 | 175.8 | -70.3 | 174.4 | 177.6 | 0 | 0 | 112.2 | T433 H434 Y439 A441 | T433-E437 WeakPolarHBondContact O-CG 3.33Å; T433-E437 PolarHBondContact O-N 3.15Å; T433-E437 VanDerWaalsContact O-N 3.09Å; H434-E437 PolarHBondContact O-N 3.17Å; E437-Y439 VanDerWaalsContact C-N 3.31Å; E437-Y439 PolarHBondContact O-N 2.8Å; E437-A441 VanDerWaalsContact O-CB 3.31Å; E437-A441 WeakPolarHBondContact O-CB 3.24Å; E437-A441 PolarHBondContact O-N 3.31Å |
| 438 | L | 63.4 | Low | 56.9 | Low | 98 Ų | 98 | 96.3 Ų | 96.3 | 51% | 0.513 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.2 | -39.8 | 174.9 | -71.6 | 175.2 | 0 | 0 | 0 | 112 | H434 L435 K442 | H434-L438 WeakPolarHBondContact O-CG 3.43Å; H434-L438 PolarHBondContact O-N 3.37Å; H434-L438 VanDerWaalsContact O-N 3.1Å; L435-L438 PolarHBondContact O-N 3.42Å; L438-K442 WeakPolarHBondContact O-CB 3.27Å; L438-K442 PolarHBondContact O-N 3.13Å; L438-K442 VanDerWaalsContact O-N 3.08Å |
| 439 | Y | 43.9 | Very low | 56.5 | Low | 127 Ų | 127 | 96.8 Ų | 96.8 | 50% | 0.498 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -69.8 | -47.2 | 179 | -173.4 | -102.9 | 0 | 0 | 0 | 112.2 | L435 K436 E437 A441 K442 L443 | L435-Y439 WeakPolarHBondContact O-CB 3.42Å; L435-Y439 PolarHBondContact O-N 2.88Å; K436-Y439 PolarHBondContact O-N 3.32Å; E437-Y439 VanDerWaalsContact C-N 3.31Å; E437-Y439 PolarHBondContact O-N 2.8Å; Y439-A441 VanDerWaalsContact C-N 3.28Å; Y439-A441 PolarHBondContact O-N 3.01Å; Y439-K442 CarbonylContact O-C 3.54Å; Y439-K442 WeakPolarHBondContact O-CA 3.31Å; Y439-K442 WeakPolarHBondContact O-CB 3.29Å; Y439-K442 PolarHBondContact O-N 3.42Å; Y439-L443 HydrophobicContact CD1-CD1 3.71Å; Y439-L443 HydrophobicContact CD1-CG 4.34Å; Y439-L443 HydrophobicContact CE1-CD1 3.24Å; Y439-L443 HydrophobicContact CE1-CG 3.88Å; Y439-L443 PolarHBondContact O-N 3Å |
| 440 | D | 55.8 | Low | 55.8 | Low | 78 Ų | 78 | 100 Ų | 100 | 42% | 0.417 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.7 | -40.7 | 176.9 | -73 | -19.7 | 0 | 0 | 0 | 110.7 | K436 K442 L443 V444 | K436-D440 WeakPolarHBondContact O-CB 3.13Å; K436-D440 PolarHBondContact O-N 2.83Å; D440-K442 VanDerWaalsContact C-N 3.33Å; D440-K442 PolarHBondContact O-N 2.86Å; D440-L443 PolarHBondContact O-N 3.18Å; D440-V444 WeakPolarHBondContact O-CG2 3.42Å; D440-V444 PolarHBondContact O-N 2.86Å |
| 441 | A | 66.1 | Low | 54.6 | Low | 61 Ų | 61 | 99.7 Ų | 99.7 | 50% | 0.504 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.1 | -39.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | E437 Y439 H445 | E437-A441 VanDerWaalsContact O-CB 3.31Å; E437-A441 WeakPolarHBondContact O-CB 3.24Å; E437-A441 PolarHBondContact O-N 3.31Å; Y439-A441 VanDerWaalsContact C-N 3.28Å; Y439-A441 PolarHBondContact O-N 3.01Å; A441-H445 PolarHBondContact O-N 3.48Å; A441-H445 VanDerWaalsContact O-N 3.09Å |
| 442 | K | 58.7 | Low | 54 | Low | 145 Ų | 145 | 99.2 Ų | 99.2 | 63% | 0.63 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -71.8 | -36.7 | 178.9 | -163.4 | 165.2 | -173.9 | 175.8 | 0 | 112.7 | L438 Y439 D440 H445 L446 | L438-K442 WeakPolarHBondContact O-CB 3.27Å; L438-K442 PolarHBondContact O-N 3.13Å; L438-K442 VanDerWaalsContact O-N 3.08Å; Y439-K442 CarbonylContact O-C 3.54Å; Y439-K442 WeakPolarHBondContact O-CA 3.31Å; Y439-K442 WeakPolarHBondContact O-CB 3.29Å; Y439-K442 PolarHBondContact O-N 3.42Å; D440-K442 VanDerWaalsContact C-N 3.33Å; D440-K442 PolarHBondContact O-N 2.86Å; K442-H445 PolarHBondContact O-N 2.95Å; K442-L446 PolarHBondContact O-N 3.35Å |
| 443 | L | 45.8 | Very low | 53.3 | Low | 65 Ų | 65 | 100.6 Ų | 100.6 | 34% | 0.34 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.3 | -45.1 | 172.4 | -93.2 | 170.7 | 0 | 0 | 0 | 111.8 | Y439 D440 H445 L446 N447 | Y439-L443 HydrophobicContact CD1-CD1 3.71Å; Y439-L443 HydrophobicContact CD1-CG 4.34Å; Y439-L443 HydrophobicContact CE1-CD1 3.24Å; Y439-L443 HydrophobicContact CE1-CG 3.88Å; Y439-L443 PolarHBondContact O-N 3Å; D440-L443 PolarHBondContact O-N 3.18Å; L443-H445 VanDerWaalsContact C-N 3.28Å; L443-H445 PolarHBondContact O-N 3.18Å; L443-L446 PolarHBondContact O-N 2.91Å; L443-N447 WeakPolarHBondContact O-CB 3.45Å; L443-N447 PolarHBondContact O-N 2.87Å; L443-N447 PolarHBondContact O-ND2 3.25Å |
| 444 | V | 62.4 | Low | 52.4 | Low | 102 Ų | 102 | 101.5 Ų | 101.5 | 62% | 0.618 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -59.7 | -41.4 | 175.1 | 171.2 | 0 | 0 | 0 | 0 | 110.8 | D440 S448 | D440-V444 WeakPolarHBondContact O-CG2 3.42Å; D440-V444 PolarHBondContact O-N 2.86Å; V444-S448 WeakPolarHBondContact O-CB 3.27Å; V444-S448 PolarHBondContact O-N 2.83Å; V444-S448 PolarHBondContact O-OG 2.92Å |
| 445 | H | 57.5 | Low | 51.5 | Low | 112 Ų | 112 | 100.6 Ų | 100.6 | 52% | 0.519 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.5 | -35.7 | 176.9 | -168.2 | -81.3 | 0 | 0 | 0 | 113.3 | A441 K442 L443 S448 H449 | A441-H445 PolarHBondContact O-N 3.48Å; A441-H445 VanDerWaalsContact O-N 3.09Å; K442-H445 PolarHBondContact O-N 2.95Å; L443-H445 VanDerWaalsContact C-N 3.28Å; L443-H445 PolarHBondContact O-N 3.18Å; H445-S448 WeakPolarHBondContact CA-OG 3.43Å; H445-S448 PolarHBondContact O-OG 3.18Å; H445-H449 AromaticContact CE1-CD2 3.23Å; H445-H449 PolarHBondContact CE1-CD2 2.67Å; H445-H449 AromaticContact CE1-NE2 3.32Å; H445-H449 PolarHBondContact CE1-NE2 2.88Å; H445-H449 VanDerWaalsContact CE1-NE2 3.32Å; H445-H449 AromaticContact ND1-CD2 3.51Å; H445-H449 AromaticContact NE2-NE2 3.99Å; H445-H449 PolarHBondContact O-CD2 3.28Å; H445-H449 PolarHBondContact O-N 3.29Å; H445-H449 VanDerWaalsContact O-N 3.14Å |
| 446 | L | 47.7 | Very low | 51.2 | Low | 103 Ų | 103 | 100.8 Ų | 100.8 | 54% | 0.539 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -69.5 | -43.5 | 175.8 | -82 | 163.2 | 0 | 0 | 0 | 111.8 | K442 L443 H449 Q450 | K442-L446 PolarHBondContact O-N 3.35Å; L443-L446 PolarHBondContact O-N 2.91Å; L446-H449 PolarHBondContact O-N 3.35Å; L446-Q450 PolarHBondContact O-N 3.14Å |
| 447 | N | 43.5 | Very low | 50.7 | Low | 86 Ų | 86 | 102.6 Ų | 102.6 | 46% | 0.46 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.6 | -40.4 | 177.3 | -71.1 | -21.7 | 0 | 0 | 0 | 111.4 | L443 H449 Q450 D451 | L443-N447 WeakPolarHBondContact O-CB 3.45Å; L443-N447 PolarHBondContact O-N 2.87Å; L443-N447 PolarHBondContact O-ND2 3.25Å; N447-H449 VanDerWaalsContact C-N 3.33Å; N447-H449 PolarHBondContact O-N 2.99Å; N447-Q450 PolarHBondContact O-N 3.26Å; N447-D451 PolarHBondContact O-N 3.36Å |
| 448 | S | 54.2 | Low | 49.1 | Very low | 49 Ų | 49 | 104.9 Ų | 104.9 | 34% | 0.343 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -66.3 | -33.3 | 175.8 | 68.4 | 0 | 0 | 0 | 0 | 112.9 | V444 H445 D451 L452 | V444-S448 WeakPolarHBondContact O-CB 3.27Å; V444-S448 PolarHBondContact O-N 2.83Å; V444-S448 PolarHBondContact O-OG 2.92Å; H445-S448 WeakPolarHBondContact CA-OG 3.43Å; H445-S448 PolarHBondContact O-OG 3.18Å; S448-D451 PolarHBondContact O-N 3.12Å; S448-L452 WeakPolarHBondContact O-CD1 3.43Å; S448-L452 VanDerWaalsContact O-CG 3.31Å; S448-L452 WeakPolarHBondContact O-CG 3.23Å; S448-L452 PolarHBondContact O-N 3.42Å |
| 449 | H | 52.6 | Low | 47.7 | Very low | 92 Ų | 92 | 105.8 Ų | 105.8 | 43% | 0.426 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -69.6 | -34.8 | 172.6 | -100.3 | -83.4 | 0 | 0 | 0 | 113.3 | H445 L446 N447 L452 L453 | H445-H449 AromaticContact CE1-CD2 3.23Å; H445-H449 PolarHBondContact CE1-CD2 2.67Å; H445-H449 AromaticContact CE1-NE2 3.32Å; H445-H449 PolarHBondContact CE1-NE2 2.88Å; H445-H449 VanDerWaalsContact CE1-NE2 3.32Å; H445-H449 AromaticContact ND1-CD2 3.51Å; H445-H449 AromaticContact NE2-NE2 3.99Å; H445-H449 PolarHBondContact O-CD2 3.28Å; H445-H449 PolarHBondContact O-N 3.29Å; H445-H449 VanDerWaalsContact O-N 3.14Å; L446-H449 PolarHBondContact O-N 3.35Å; N447-H449 VanDerWaalsContact C-N 3.33Å; N447-H449 PolarHBondContact O-N 2.99Å; H449-L452 PolarHBondContact O-N 2.69Å; H449-L453 WeakPolarHBondContact O-CG 3.37Å; H449-L453 PolarHBondContact O-N 3.22Å |
| 450 | Q | 47.1 | Very low | 47.3 | Very low | 136 Ų | 136 | 105.2 Ų | 105.2 | 64% | 0.636 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -65.5 | -41.1 | 172.9 | -107.9 | -177.6 | -13.6 | 0 | 0 | 111.8 | L446 N447 L452 L453 S454 | L446-Q450 PolarHBondContact O-N 3.14Å; N447-Q450 PolarHBondContact O-N 3.26Å; Q450-L452 VanDerWaalsContact C-N 3.33Å; Q450-L452 PolarHBondContact O-N 3.19Å; Q450-L453 PolarHBondContact O-N 3.47Å; Q450-S454 PolarHBondContact O-N 3.34Å |
| 451 | D | 44.9 | Very low | 46.1 | Very low | 113 Ų | 113 | 110.1 Ų | 110.1 | 60% | 0.604 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -63 | -39.4 | 174.5 | -72.1 | -26.1 | 0 | 0 | 0 | 111.6 | N447 S448 S454 S455 | N447-D451 PolarHBondContact O-N 3.36Å; S448-D451 PolarHBondContact O-N 3.12Å; D451-S454 PolarHBondContact O-N 3.47Å; D451-S454 PolarHBondContact O-OG 2.74Å; D451-S455 PolarHBondContact O-N 3.1Å |
| 452 | L | 48 | Very low | 44.5 | Very low | 100 Ų | 100 | 114.1 Ų | 114.1 | 52% | 0.524 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -65.5 | -38.5 | 174.6 | -74.9 | 162.7 | 0 | 0 | 0 | 112.8 | S448 H449 Q450 S455 T456 | S448-L452 WeakPolarHBondContact O-CD1 3.43Å; S448-L452 VanDerWaalsContact O-CG 3.31Å; S448-L452 WeakPolarHBondContact O-CG 3.23Å; S448-L452 PolarHBondContact O-N 3.42Å; H449-L452 PolarHBondContact O-N 2.69Å; Q450-L452 VanDerWaalsContact C-N 3.33Å; Q450-L452 PolarHBondContact O-N 3.19Å; L452-S455 PolarHBondContact O-N 3.09Å; L452-S455 PolarHBondContact O-OG 3.14Å; L452-T456 PolarHBondContact O-OG1 3.35Å |
| 453 | L | 43.3 | Very low | 43.2 | Very low | 121 Ų | 121 | 112.8 Ų | 112.8 | 63% | 0.634 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -69.1 | -33.2 | 175.8 | -73.3 | 165.4 | 0 | 0 | 0 | 112.1 | H449 Q450 S455 T456 | H449-L453 WeakPolarHBondContact O-CG 3.37Å; H449-L453 PolarHBondContact O-N 3.22Å; Q450-L453 PolarHBondContact O-N 3.47Å; L453-S455 PolarHBondContact O-N 3.44Å; L453-T456 PolarHBondContact O-N 2.99Å; L453-T456 PolarHBondContact O-OG1 2.98Å |
| 454 | S | 42.3 | Very low | 42.5 | Very low | 96 Ų | 96 | 118.4 Ų | 118.4 | 67% | 0.671 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -65.1 | -21.2 | 173.5 | 82 | 0 | 0 | 0 | 0 | 113.3 | Q450 D451 | Q450-S454 PolarHBondContact O-N 3.34Å; D451-S454 PolarHBondContact O-N 3.47Å; D451-S454 PolarHBondContact O-OG 2.74Å |
| 455 | S | 41.4 | Very low | 41.1 | Very low | 85 Ų | 85 | 120 Ų | 120 | 59% | 0.594 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | -5.3 | -178.3 | 76 | 0 | 0 | 0 | 0 | 114.6 | D451 L452 L453 | D451-S455 PolarHBondContact O-N 3.1Å; L452-S455 PolarHBondContact O-N 3.09Å; L452-S455 PolarHBondContact O-OG 3.14Å; L453-S455 PolarHBondContact O-N 3.44Å |
| 456 | T | 41.8 | Very low | 39.8 | Very low | 88 Ų | 88 | 122.7 Ų | 122.7 | 54% | 0.54 | 67% | 0.666 | S | S | . | * | trans | -113.6 | 99.9 | -178.7 | 35.2 | 0 | 0 | 0 | 0 | 111.5 | L452 L453 Q458 | L452-T456 PolarHBondContact O-OG1 3.35Å; L453-T456 PolarHBondContact O-N 2.99Å; L453-T456 PolarHBondContact O-OG1 2.98Å; T456-Q458 PolarHBondContact O-N 2.86Å | ||
| 457 | N | 37.8 | Very low | 38.8 | Very low | 173 Ų | 173 | 126.3 Ų | 126.3 | 93% | 0.925 | 68% | 0.68 | S | S | * | * | trans | -70.5 | 61.1 | 174.2 | -95.3 | -19.2 | 0 | 0 | 0 | 112.3 | ||||
| 458 | Q | 32.8 | Very low | 38.2 | Very low | 173 Ų | 173 | 129.5 Ų | 129.5 | 81% | 0.808 | 69% | 0.693 | S | S | * | * | trans | -124.5 | 127.8 | 166.1 | -76.8 | -172.2 | -11.6 | 0 | 0 | 110.6 | T456 | T456-Q458 PolarHBondContact O-N 2.86Š| ||
| 459 | P | 34.4 | Very low | 37.1 | Very low | 117 Ų | 117 | 135.5 Ų | 135.5 | 76% | 0.76 | 72% | 0.716 | S | S | * | * | trans | -69.5 | 143.3 | -177.7 | 27.9 | -32 | 0 | 0 | 0 | 110.9 | H461 | P459-H461 PolarHBondContact O-N 2.91Š| ||
| 460 | P | 35.9 | Very low | 35.9 | Very low | 115 Ų | 115 | 140.2 Ų | 140.2 | 75% | 0.747 | 74% | 0.739 | S | S | * | * | trans | -69.9 | 125.6 | -171.8 | 26.6 | -32.6 | 0 | 0 | 0 | 111.5 | I462 | P460-I462 PolarHBondContact O-N 2.98Š| ||
| 461 | H | 29.9 | Very low | 35.2 | Very low | 180 Ų | 180 | 142.1 Ų | 142.1 | 83% | 0.833 | 75% | 0.745 | S | S | * | * | trans | -74.4 | 107.3 | 166 | -112.1 | -83.8 | 0 | 0 | 0 | 108.6 | P459 T463 | P459-H461 PolarHBondContact O-N 2.91Å; H461-T463 PolarHBondContact O-N 2.86Å | ||
| 462 | I | 33 | Very low | 34.6 | Very low | 145 Ų | 145 | 142 Ų | 142 | 74% | 0.744 | 75% | 0.75 | S | S | * | * | trans | -82.3 | 94.1 | 176.7 | -56.1 | 167 | 0 | 0 | 0 | 107.6 | P460 | P460-I462 PolarHBondContact O-N 2.98Š| ||
| 463 | T | 31.9 | Very low | 33.6 | Very low | 118 Ų | 118 | 146.7 Ų | 146.7 | 72% | 0.724 | 77% | 0.77 | S | S | * | * | trans | -147.2 | 6.6 | 167.3 | 21.6 | 0 | 0 | 0 | 0 | 115.9 | H461 | H461-T463 PolarHBondContact O-N 2.86Š| ||
| 464 | E | 30.6 | Very low | 33.3 | Very low | 183 Ų | 183 | 147.8 Ų | 147.8 | 86% | 0.855 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -125.6 | 14 | -177.9 | -72.8 | -177.2 | 167.2 | 0 | 0 | 115.4 | ||
| 465 | L | 32.1 | Very low | 32.8 | Very low | 136 Ų | 136 | 147.3 Ų | 147.3 | 71% | 0.712 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -89.4 | -2.1 | 176.1 | -76.1 | 168.7 | 0 | 0 | 0 | 115 | ||
| 466 | D | 30.2 | Very low | 32.7 | Very low | 168 Ų | 168 | 148.7 Ų | 148.7 | 90% | 0.898 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | 15.3 | -178.2 | -81.9 | -14.5 | 0 | 0 | 0 | 114.7 | ||
| 467 | Q | 27.7 | Very low | 32.6 | Very low | 179 Ų | 179 | 151.1 Ų | 151.1 | 84% | 0.836 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.9 | 32.9 | 172.9 | -65.8 | -172.3 | 5.7 | 0 | 0 | 113.1 | E469 | Q467-E469 VanDerWaalsContact C-N 3.27Å; Q467-E469 PolarHBondContact O-N 3.36Å |
| 468 | M | 30.3 | Very low | 32.8 | Very low | 152 Ų | 152 | 151.3 Ų | 151.3 | 75% | 0.749 | 77% | 0.774 | S | S | * | * | trans | -71.6 | 91.3 | 162.4 | -63.5 | -169.7 | 76.8 | 0 | 0 | 108 | E470 | M468-E470 PolarHBondContact O-N 3.21Š| ||
| 469 | E | 31.1 | Very low | 32.9 | Very low | 175 Ų | 175 | 148.1 Ų | 148.1 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | trans | -47.9 | 127 | 170 | -74.2 | -178.3 | 152 | 0 | 0 | 109.8 | Q467 F471 | Q467-E469 VanDerWaalsContact C-N 3.27Å; Q467-E469 PolarHBondContact O-N 3.36Å; E469-F471 PolarHBondContact O-N 3.21Å; E469-F471 VanDerWaalsContact O-N 3.09Å | ||
| 470 | E | 27.9 | Very low | 32.8 | Very low | 192 Ų | 192 | 150.7 Ų | 150.7 | 90% | 0.897 | 76% | 0.763 | S | S | * | * | trans | -49.7 | 114.1 | 171.5 | -102.8 | 173 | 160.5 | 0 | 0 | 109.7 | M468 P472 | M468-E470 PolarHBondContact O-N 3.21Å; E470-P472 WeakPolarHBondContact O-CD 3.31Å | ||
| 471 | F | 31.6 | Very low | 32.7 | Very low | 175 Ų | 175 | 153.8 Ų | 153.8 | 77% | 0.768 | 77% | 0.768 | S | S | * | * | trans | -62.4 | 121.7 | 177.1 | -78.8 | -90.9 | 0 | 0 | 0 | 109.8 | E469 E473 | E469-F471 PolarHBondContact O-N 3.21Å; E469-F471 VanDerWaalsContact O-N 3.09Å; F471-E473 PolarHBondContact O-N 3.25Å | ||
| 472 | P | 32.2 | Very low | 33 | Very low | 111 Ų | 111 | 153.8 Ų | 153.8 | 72% | 0.721 | 77% | 0.768 | S | S | * | * | trans | -67.6 | 129.7 | 178.8 | 24.9 | -31.4 | 0 | 0 | 0 | 110.7 | E470 I474 | E470-P472 WeakPolarHBondContact O-CD 3.31Å; P472-I474 WeakPolarHBondContact O-CG1 3.5Å; P472-I474 PolarHBondContact O-N 3.26Å | ||
| 473 | E | 27.7 | Very low | 32.9 | Very low | 199 Ų | 199 | 154.3 Ų | 154.3 | 93% | 0.93 | 77% | 0.771 | S | S | * | * | trans | -59.3 | 115 | 174.5 | -73.8 | -177.2 | 155.8 | 0 | 0 | 110.3 | F471 | F471-E473 PolarHBondContact O-N 3.25Š| ||
| 474 | I | 37.5 | Very low | 32.6 | Very low | 144 Ų | 144 | 154.1 Ų | 154.1 | 74% | 0.738 | 77% | 0.769 | S | S | * | * | trans | -93.5 | 114.6 | 179.1 | -57.8 | 176 | 0 | 0 | 0 | 108.3 | P472 | P472-I474 WeakPolarHBondContact O-CG1 3.5Å; P472-I474 PolarHBondContact O-N 3.26Å | ||
| 475 | S | 31 | Very low | 32.6 | Very low | 85 Ų | 85 | 150.8 Ų | 150.8 | 59% | 0.594 | 76% | 0.762 | S | S | * | * | trans | -73.3 | 141.6 | 171.2 | 68.6 | 0 | 0 | 0 | 0 | 111.5 | D477 | S475-D477 PolarHBondContact O-N 2.88Š| ||
| 476 | D | 39.3 | Very low | 32.4 | Very low | 114 Ų | 114 | 153.4 Ų | 153.4 | 61% | 0.61 | 77% | 0.77 | S | S | * | * | G | 310 helix | trans | -67.1 | -0.1 | -167.9 | -78.7 | -43.6 | 0 | 0 | 0 | 115.9 | K478 R512 | D476-K478 PolarHBondContact O-N 2.85Å; D476-K478 VanDerWaalsContact O-N 3.11Å; D476-R512 IonicContact OD1-NH2 3.76Å |
| 477 | D | 40.8 | Very low | 32.4 | Very low | 140 Ų | 140 | 151.9 Ų | 151.9 | 75% | 0.749 | 76% | 0.762 | S | S | * | * | G | 310 helix | trans | -69.4 | -10.9 | -175.3 | -73.4 | -22.5 | 0 | 0 | 0 | 114.4 | S475 | S475-D477 PolarHBondContact O-N 2.88Š|
| 478 | K | 40.9 | Very low | 32.5 | Very low | 177 Ų | 177 | 150.7 Ų | 150.7 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | G | 310 helix | trans | -88.5 | -10.3 | -177.5 | -71.6 | -171.4 | 176.4 | -177.7 | 0 | 115.4 | D476 Q480 | D476-K478 PolarHBondContact O-N 2.85Å; D476-K478 VanDerWaalsContact O-N 3.11Å; K478-Q480 VanDerWaalsContact C-N 3.32Å; K478-Q480 PolarHBondContact O-N 3.1Å |
| 479 | I | 34.7 | Very low | 32.5 | Very low | 106 Ų | 106 | 149.4 Ų | 149.4 | 54% | 0.544 | 76% | 0.763 | S | S | . | * | G | 310 helix | trans | -76.3 | -20.9 | -178.4 | -63.6 | 176.8 | 0 | 0 | 0 | 111.8 | Q481 | I479-Q481 PolarHBondContact O-N 2.8Š|
| 480 | Q | 32 | Very low | 32.2 | Very low | 170 Ų | 170 | 148.6 Ų | 148.6 | 79% | 0.794 | 76% | 0.764 | S | S | * | * | G | 310 helix | trans | -77.8 | -9.7 | -174.4 | -71.3 | -141.6 | -23.9 | 0 | 0 | 116.1 | K478 Q482 | K478-Q480 VanDerWaalsContact C-N 3.32Å; K478-Q480 PolarHBondContact O-N 3.1Å; Q480-Q482 PolarHBondContact O-N 3.32Å |
| 481 | Q | 33.9 | Very low | 32.2 | Very low | 180 Ų | 180 | 145.3 Ų | 145.3 | 84% | 0.841 | 76% | 0.757 | S | S | * | * | G | 310 helix | trans | -78.6 | -11.5 | -173.6 | -78.5 | -171.6 | -12.8 | 0 | 0 | 115.3 | I479 | I479-Q481 PolarHBondContact O-N 2.8Š|
| 482 | Q | 36.7 | Very low | 31.8 | Very low | 180 Ų | 180 | 148.4 Ų | 148.4 | 84% | 0.841 | 76% | 0.763 | S | S | * | * | G | 310 helix | trans | -95.4 | -2.4 | -167.9 | -140.1 | 165.4 | 2.1 | 0 | 0 | 115.8 | Q480 | Q480-Q482 PolarHBondContact O-N 3.32Š|
| 483 | I | 30.1 | Very low | 31.6 | Very low | 157 Ų | 157 | 150 Ų | 150 | 81% | 0.805 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -101.6 | -2.8 | -174.1 | -65.1 | 178.8 | 0 | 0 | 0 | 114.1 | ||
| 484 | V | 27 | Very low | 31.4 | Very low | 113 Ų | 113 | 147.7 Ų | 147.7 | 69% | 0.685 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -112.7 | 118.1 | -170.9 | -176.3 | 0 | 0 | 0 | 0 | 113.9 | ||
| 485 | T | 29.2 | Very low | 31.2 | Very low | 114 Ų | 114 | 145.2 Ų | 145.2 | 70% | 0.699 | 76% | 0.759 | S | S | * | * | trans | 79.2 | 89.2 | 156.5 | 50.4 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 486 | Q | 29.2 | Very low | 31.1 | Very low | 191 Ų | 191 | 151.1 Ų | 151.1 | 89% | 0.893 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -87.6 | 82.4 | 131.7 | -74.8 | -174.5 | 1.4 | 0 | 0 | 108.5 | ||
| 487 | N | 29.9 | Very low | 30.7 | Very low | 136 Ų | 136 | 153 Ų | 153 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -173.6 | 137.4 | 149.3 | -91.3 | -21.6 | 0 | 0 | 0 | 107.7 | ||
| 488 | D | 29.8 | Very low | 30.5 | Very low | 153 Ų | 153 | 149.6 Ų | 149.6 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | 83.8 | 106.4 | 177.2 | -59.2 | -25.3 | 0 | 0 | 0 | 118.3 | ||||
| 489 | T | 29 | Very low | 30.1 | Very low | 126 Ų | 126 | 150.5 Ų | 150.5 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -41 | 136.5 | 161.4 | 40.9 | 0 | 0 | 0 | 0 | 114 | ||
| 490 | N | 26.3 | Very low | 30.3 | Very low | 157 Ų | 157 | 149.8 Ų | 149.8 | 84% | 0.84 | 78% | 0.781 | S | S | * | * | trans | 80.8 | 76.7 | 165.5 | -57.6 | -33.6 | 0 | 0 | 0 | 117.6 | ||||
| 491 | V | 26.9 | Very low | 30.4 | Very low | 124 Ų | 124 | 145.5 Ų | 145.5 | 75% | 0.752 | 77% | 0.767 | S | S | * | * | trans | -128.1 | 112.7 | 146.6 | -174.8 | 0 | 0 | 0 | 0 | 109.2 | I493 | V491-I493 HydrophobicContact CG1-CD1 4.46Å; V491-I493 HydrophobicContact CG1-CG1 3.89Å | ||
| 492 | R | 23.7 | Very low | 30.6 | Very low | 239 Ų | 239 | 145.6 Ų | 145.6 | 90% | 0.902 | 76% | 0.764 | S | S | * | * | trans | -70.6 | 123.4 | 163.4 | -98.9 | 179.1 | 164.2 | 164.5 | -5.9 | 107.5 | ||||
| 493 | I | 27.6 | Very low | 30.8 | Very low | 144 Ų | 144 | 143 Ų | 143 | 74% | 0.738 | 76% | 0.756 | S | S | * | * | trans | -117.2 | 108.8 | 170.3 | -57.5 | -179.5 | 0 | 0 | 0 | 106.5 | V491 A495 | V491-I493 HydrophobicContact CG1-CD1 4.46Å; V491-I493 HydrophobicContact CG1-CG1 3.89Å; I493-A495 PolarHBondContact O-N 2.95Å | ||
| 494 | D | 24.3 | Very low | 31.3 | Very low | 151 Ų | 151 | 139.2 Ų | 139.2 | 81% | 0.807 | 74% | 0.735 | S | S | * | * | trans | -71.9 | 104.4 | 170.1 | -70.5 | -34.1 | 0 | 0 | 0 | 107.8 | ||||
| 495 | A | 31.9 | Very low | 31.9 | Very low | 92 Ų | 92 | 138.6 Ų | 138.6 | 76% | 0.76 | 73% | 0.728 | S | S | * | * | trans | -98.1 | 119.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | I493 | I493-A495 PolarHBondContact O-N 2.95Š| ||
| 496 | Y | 29.7 | Very low | 32.5 | Very low | 210 Ų | 210 | 137.2 Ų | 137.2 | 82% | 0.824 | 72% | 0.716 | S | S | * | * | trans | -71.2 | 137.6 | 165.6 | -89.3 | -102.3 | 0 | 0 | 0 | 109.2 | ||||
| 497 | D | 31.8 | Very low | 33 | Very low | 152 Ų | 152 | 134.8 Ų | 134.8 | 81% | 0.813 | 70% | 0.704 | S | S | * | * | S | Bend | trans | 75.6 | 90.7 | 168.3 | -55 | -26.7 | 0 | 0 | 0 | 118 | ||
| 498 | G | 35.5 | Very low | 33.5 | Very low | 69 Ų | 69 | 136.2 Ų | 136.2 | 71% | 0.711 | 70% | 0.699 | S | S | * | * | trans | 77.1 | 122.1 | 142.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | I500 | G498-I500 PolarHBondContact O-N 2.95Š| ||
| 499 | E | 32.9 | Very low | 34 | Very low | 197 Ų | 197 | 132.5 Ų | 132.5 | 92% | 0.921 | 69% | 0.685 | S | S | * | * | trans | -60 | 107.9 | 170.7 | -70.3 | 179.6 | 156.3 | 0 | 0 | 110.4 | ||||
| 500 | I | 39.2 | Very low | 34.7 | Very low | 91 Ų | 91 | 129.8 Ų | 129.8 | 47% | 0.467 | 67% | 0.666 | S | S | . | * | trans | -88.7 | 125.5 | 164.8 | -63.3 | 174.4 | 0 | 0 | 0 | 107.1 | G498 E504 L505 | G498-I500 PolarHBondContact O-N 2.95Å; I500-E504 HydrophobicContact CG2-CB 3.75Å; I500-L505 HydrophobicContact CG2-CG 4.24Å | ||
| 501 | T | 34.8 | Very low | 35.1 | Very low | 79 Ų | 79 | 127.7 Ų | 127.7 | 49% | 0.485 | 65% | 0.653 | S | S | . | * | trans | -78.2 | 155.2 | -176.5 | 60.4 | 0 | 0 | 0 | 0 | 111.7 | D503 E504 L505 | T501-D503 PolarHBondContact O-N 3.43Å; T501-D503 VanDerWaalsContact O-N 3.1Å; T501-E504 PolarHBondContact N-OE2 3.38Å; T501-E504 PolarHBondContact O-N 3.36Å; T501-E504 PolarHBondContact OG1-OE2 3.41Å; T501-L505 PolarHBondContact O-N 2.93Å | ||
| 502 | K | 36.8 | Very low | 35.3 | Very low | 182 Ų | 182 | 130.8 Ų | 130.8 | 79% | 0.791 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -52.9 | -32.5 | 179.1 | -159.5 | -178.8 | -178.4 | -171.8 | 0 | 112.5 | L506 | K502-L506 PolarHBondContact O-N 2.92Å; K502-L506 VanDerWaalsContact O-N 3.13Å |
| 503 | D | 40.4 | Very low | 35.7 | Very low | 126 Ų | 126 | 125.5 Ų | 125.5 | 67% | 0.674 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -71.8 | -36.8 | 178.3 | -78 | -9.5 | 0 | 0 | 0 | 113 | T501 L506 Q507 | T501-D503 PolarHBondContact O-N 3.43Å; T501-D503 VanDerWaalsContact O-N 3.1Å; D503-L506 PolarHBondContact O-N 2.87Å; D503-Q507 PolarHBondContact O-N 3.38Å |
| 504 | E | 41 | Very low | 36.3 | Very low | 77 Ų | 77 | 122.4 Ų | 122.4 | 36% | 0.36 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -69.6 | -36.4 | 175.8 | -75.5 | 176.8 | 128.8 | 0 | 0 | 112 | I500 T501 L506 R508 | I500-E504 HydrophobicContact CG2-CB 3.75Å; T501-E504 PolarHBondContact N-OE2 3.38Å; T501-E504 PolarHBondContact O-N 3.36Å; T501-E504 PolarHBondContact OG1-OE2 3.41Å; E504-L506 VanDerWaalsContact C-N 3.35Å; E504-R508 VanDerWaalsContact O-CG 3.25Å; E504-R508 WeakPolarHBondContact O-CG 3.49Å; E504-R508 PolarHBondContact O-N 2.96Å |
| 505 | L | 39.6 | Very low | 36.5 | Very low | 100 Ų | 100 | 126.2 Ų | 126.2 | 52% | 0.524 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -63.3 | -42.2 | 172.2 | -90.6 | 158.7 | 0 | 0 | 0 | 111.3 | I500 T501 R508 S509 | I500-L505 HydrophobicContact CG2-CG 4.24Å; T501-L505 PolarHBondContact O-N 2.93Å; L505-R508 PolarHBondContact O-N 3.07Å; L505-S509 PolarHBondContact O-N 3.06Å; L505-S509 PolarHBondContact O-OG 3.19Å |
| 506 | L | 41.7 | Very low | 36.6 | Very low | 86 Ų | 86 | 131.8 Ų | 131.8 | 45% | 0.45 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -69.5 | -42.7 | -179.5 | -149.8 | 84.4 | 0 | 0 | 0 | 111.9 | L435 K502 D503 E504 R508 S509 I510 | L435-L506 HydrophobicContact CD1-CD2 4.49Å; K502-L506 PolarHBondContact O-N 2.92Å; K502-L506 VanDerWaalsContact O-N 3.13Å; D503-L506 PolarHBondContact O-N 2.87Å; E504-L506 VanDerWaalsContact C-N 3.35Å; L506-R508 PolarHBondContact O-N 3.08Å; L506-S509 PolarHBondContact O-N 3.15Å; L506-I510 HydrophobicContact CD2-CD1 4.45Å; L506-I510 HydrophobicContact CG-CD1 4.41Å; L506-I510 WeakPolarHBondContact O-CD1 3.39Å; L506-I510 WeakPolarHBondContact O-CG1 3.24Å; L506-I510 PolarHBondContact O-N 3.46Å; L506-I510 VanDerWaalsContact O-N 3.14Å |
| 507 | Q | 40.8 | Very low | 36.9 | Very low | 139 Ų | 139 | 127.9 Ų | 127.9 | 65% | 0.65 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -57.4 | -36.7 | 175.1 | -91.1 | -172.2 | -15.9 | 0 | 0 | 112.7 | D503 I510 | D503-Q507 PolarHBondContact O-N 3.38Å; Q507-I510 PolarHBondContact O-N 3.32Å |
| 508 | R | 40.1 | Very low | 37.2 | Very low | 167 Ų | 167 | 126.6 Ų | 126.6 | 63% | 0.63 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -73.5 | -34.7 | -179.6 | -70.2 | 173.9 | -174.3 | -163.3 | 4.2 | 112.7 | E504 L505 L506 I510 | E504-R508 VanDerWaalsContact O-CG 3.25Å; E504-R508 WeakPolarHBondContact O-CG 3.49Å; E504-R508 PolarHBondContact O-N 2.96Å; L505-R508 PolarHBondContact O-N 3.07Å; L506-R508 PolarHBondContact O-N 3.08Å; R508-I510 VanDerWaalsContact C-N 3.32Å |
| 509 | S | 39.9 | Very low | 37.3 | Very low | 75 Ų | 75 | 129.8 Ų | 129.8 | 52% | 0.524 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -65.8 | -35.3 | 173 | -50 | 0 | 0 | 0 | 0 | 112.4 | L505 L506 I511 R512 | L505-S509 PolarHBondContact O-N 3.06Å; L505-S509 PolarHBondContact O-OG 3.19Å; L506-S509 PolarHBondContact O-N 3.15Å; S509-I511 VanDerWaalsContact C-N 3.34Å; S509-I511 PolarHBondContact O-N 3.18Å; S509-R512 PolarHBondContact O-N 3.24Å |
| 510 | I | 42.9 | Very low | 37.6 | Very low | 69 Ų | 69 | 125.9 Ų | 125.9 | 35% | 0.354 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -63.9 | -35.2 | -175 | -73.2 | 164.2 | 0 | 0 | 0 | 111.8 | L506 Q507 R508 R512 L513 V514 | L506-I510 HydrophobicContact CD2-CD1 4.45Å; L506-I510 HydrophobicContact CG-CD1 4.41Å; L506-I510 WeakPolarHBondContact O-CD1 3.39Å; L506-I510 WeakPolarHBondContact O-CG1 3.24Å; L506-I510 PolarHBondContact O-N 3.46Å; L506-I510 VanDerWaalsContact O-N 3.14Å; Q507-I510 PolarHBondContact O-N 3.32Å; R508-I510 VanDerWaalsContact C-N 3.32Å; I510-R512 PolarHBondContact O-N 3.23Å; I510-R512 VanDerWaalsContact O-N 3.15Å; I510-L513 PolarHBondContact O-N 3.27Å; I510-V514 HydrophobicContact CG2-CG2 3.86Å; I510-V514 WeakPolarHBondContact O-CG2 3.46Å; I510-V514 PolarHBondContact O-N 3.21Å |
| 511 | I | 36.2 | Very low | 37.5 | Very low | 112 Ų | 112 | 128.1 Ų | 128.1 | 57% | 0.574 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | -26.8 | -178.6 | -61.4 | 175.8 | 0 | 0 | 0 | 112.2 | S509 L513 V514 | S509-I511 VanDerWaalsContact C-N 3.34Å; S509-I511 PolarHBondContact O-N 3.18Å; I511-L513 PolarHBondContact O-N 3.25Å; I511-V514 PolarHBondContact O-N 3.15Å |
| 512 | R | 30.4 | Very low | 37.6 | Very low | 190 Ų | 190 | 131.3 Ų | 131.3 | 72% | 0.717 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | -20.8 | 175.9 | -99.3 | -174.6 | -179.1 | -179.4 | 2 | 114.1 | D476 S509 I510 | D476-R512 IonicContact OD1-NH2 3.76Å; S509-R512 PolarHBondContact O-N 3.24Å; I510-R512 PolarHBondContact O-N 3.23Å; I510-R512 VanDerWaalsContact O-N 3.15Å |
| 513 | L | 32.4 | Very low | 37.7 | Very low | 128 Ų | 128 | 127.7 Ų | 127.7 | 67% | 0.67 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.8 | -12.9 | 175.6 | -85.6 | 157.4 | 0 | 0 | 0 | 112.9 | I510 I511 Y515 Q516 | I510-L513 PolarHBondContact O-N 3.27Å; I511-L513 PolarHBondContact O-N 3.25Å; L513-Y515 VanDerWaalsContact C-N 3.31Å; L513-Y515 PolarHBondContact O-N 3.39Å; L513-Q516 PolarHBondContact O-N 2.97Å |
| 514 | V | 40.2 | Very low | 37.5 | Very low | 79 Ų | 79 | 127.8 Ų | 127.8 | 48% | 0.479 | 60% | 0.601 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.9 | 4.6 | -168.6 | 166.6 | 0 | 0 | 0 | 0 | 114.9 | I510 I511 | I510-V514 HydrophobicContact CG2-CG2 3.86Å; I510-V514 WeakPolarHBondContact O-CG2 3.46Å; I510-V514 PolarHBondContact O-N 3.21Å; I511-V514 PolarHBondContact O-N 3.15Å |
| 515 | Y | 27.9 | Very low | 37.2 | Very low | 230 Ų | 230 | 132.1 Ų | 132.1 | 90% | 0.902 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.6 | 27.3 | 168.2 | -82.9 | -72.8 | 0 | 0 | 0 | 114.4 | L513 | L513-Y515 VanDerWaalsContact C-N 3.31Å; L513-Y515 PolarHBondContact O-N 3.39Å |
| 516 | Q | 34.3 | Very low | 37 | Very low | 210 Ų | 210 | 135 Ų | 135 | 98% | 0.981 | 63% | 0.63 | S | S | * | * | trans | -122.1 | 0 | 159.3 | -71 | -171.5 | -29.9 | 0 | 0 | 109.2 | L513 | L513-Q516 PolarHBondContact O-N 2.97Š|
Retrieved 516 of 516 residues in 255.7 ms
(Link to these results)